data_2mpw_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 2mpw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.644 0.259 . . . . 2.23 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 2.2 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.41 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 1.04 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.926 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 3.3 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 1.1 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.33 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.43 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 1.15 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 1.13 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 1.13 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 2.23 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.78 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.66 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.92 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 2.24 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.15 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 1.1 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.8 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 1.08 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.83 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 1.08 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.05 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.89 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.85 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 1.01 111.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.15 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 2.34 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.36 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 1.06 111.486 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.9 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.88 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.87 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.36 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 1.12 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 2.36 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.66 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 1.06 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 1.04 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.28 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.23 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.22 110.81 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.44 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 1.03 109.353 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 1.05 110.103 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.1 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo . . . . . 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.69 112.231 177.682 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.667 0.27 . . . . 15.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.23 0.076 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo . . . . . 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.739 0.304 . . . . 15.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.621 0.248 . . . . 15.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.775 0.322 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 N--CA 1.46 0.072 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 110.073 -0.343 . . . . 15.0 110.073 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.23 0.072 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 110.047 -0.353 . . . . 15.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.634 0.254 . . . . 15.0 110.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.461 0.075 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo . . . . . 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.709 0.29 . . . . 15.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo . . . . . 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 110.283 -0.266 . . . . 15.0 110.283 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.756 0.312 . . . . 15.0 110.961 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo . . . . . 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.711 0.291 . . . . 15.0 110.559 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo . . . . . 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 27.13 109.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.56 125.78 51.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 26.26 110.679 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.25 77.26 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.427 -0.669 . . . . 24.62 111.427 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.08 -33.75 72.51 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.79 -0.241 . . . . 23.88 111.479 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -54.37 -37.71 65.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.625 0.25 . . . . 24.6 111.202 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -110.93 131.47 55.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 22.39 110.338 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -103.2 130.7 50.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 21.57 110.675 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -103.34 129.99 50.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 22.89 110.574 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.88 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 21.71 111.0 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.43 144.23 17.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.878 -0.889 . . . . 19.26 110.878 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 t -124.22 132.21 53.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 18.11 110.546 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.95 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 17.42 110.996 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -58.53 -38.02 76.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 15.94 111.115 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -86.11 129.37 34.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.733 0.301 . . . . 16.76 110.745 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -101.91 130.4 48.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 15.75 110.355 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.79 -37.6 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 14.12 111.26 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -58.4 -44.67 89.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.288 . . . . 12.5 111.105 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -60.47 -37.47 81.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 12.06 111.257 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.1 -38.33 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.595 -0.275 . . . . 10.16 111.18 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -61.12 -35.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.508 -0.315 . . . . 7.45 111.387 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.33 -41.48 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 8.65 110.825 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.49 -36.58 78.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 8.01 111.368 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -56.13 -41.43 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.067 -0.253 . . . . 3.98 111.154 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -136.43 132.31 35.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.313 . . . . 4.05 110.831 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp -115.34 126.2 54.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.293 -0.412 . . . . 2.23 110.467 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 2.2 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.41 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 1.04 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.926 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 3.3 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 1.1 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.33 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.43 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 1.15 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 1.13 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 1.13 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 2.23 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.78 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.66 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.92 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 2.24 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.15 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 1.1 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.8 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 1.08 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.83 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 1.08 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.05 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.89 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.85 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 1.01 111.499 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.15 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 2.34 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.36 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 1.06 111.486 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.9 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.88 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.87 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.36 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 1.12 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 2.36 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.66 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 1.06 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 1.04 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.28 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.23 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.22 110.81 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.44 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 1.03 109.353 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 1.05 110.103 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 1.1 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -92.86 113.13 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.69 112.231 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.19 138.33 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.368 . . . . 3.49 110.545 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -120.55 142.36 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 5.47 110.521 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -113.39 141.76 46.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 7.2 110.524 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 83.82 65.03 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.126 -0.488 . . . . 7.49 110.27 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.79 -35.92 14.96 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.248 1.299 . . . . 9.33 112.021 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -105.55 130.65 53.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 11.17 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.18 -35.19 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 13.77 111.311 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -93.26 135.61 34.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.728 0.299 . . . . 14.89 110.474 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -111.57 134.97 52.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.983 0.42 . . . . 15.26 110.665 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -33.57 75.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.576 . . . . 15.22 111.602 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 mt -118.96 86.5 31.48 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.802 -0.181 . . . . 15.71 110.838 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -83.22 124.94 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.586 1.524 . . . . 16.23 111.895 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 27.7 tp -99.39 129.38 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 17.79 110.734 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.2 tp -105.25 140.09 38.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.554 . . . . 19.04 110.377 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.15 44.28 3.84 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.092 -0.803 . . . . 18.39 111.092 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m -56.72 -34.86 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.469 0.176 . . . . 20.07 111.36 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.57 85.81 27.55 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.846 -0.161 . . . . 20.14 110.577 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -71.0 -27.26 20.8 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.346 1.364 . . . . 21.07 112.655 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.78 -35.99 69.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.602 -0.272 . . . . 21.62 111.161 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -106.6 131.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.927 0.394 . . . . 22.26 110.136 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.04 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 23.38 111.146 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.26 146.5 39.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.781 0.324 . . . . 24.07 110.442 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.94 -173.92 25.99 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.969 -0.852 . . . . 25.52 110.969 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.61 -123.95 17.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.921 -0.872 . . . . 26.98 110.921 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.8 130.4 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 27.31 110.616 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.71 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 28.71 110.785 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.65 -2.57 60.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 121.205 -0.521 . . . . 29.79 113.509 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -54.17 -34.75 61.2 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.11 0.955 . . . . 31.04 111.387 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.8 t -120.93 149.58 42.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.946 0.403 . . . . 32.95 110.905 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -117.19 154.6 30.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.9 110.406 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.81 35.08 29.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.571 -0.611 . . . . 34.94 111.571 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.5 m -58.98 -37.3 76.5 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.741 -0.27 . . . . 36.17 111.133 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.34 -35.13 64.56 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.738 -0.545 . . . . 36.16 111.738 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.5 p -59.19 -33.16 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.956 -0.297 . . . . 36.65 111.593 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -104.5 130.05 52.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.773 0.321 . . . . 37.02 110.551 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -60.61 -41.19 94.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 37.37 110.717 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.8 mt -108.49 132.69 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 38.73 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.2 -42.28 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 41.23 110.429 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -61.02 -38.98 88.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 40.72 111.026 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.011 -0.995 . . . . 42.2 110.603 -179.084 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -87.65 10.73 17.12 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.82 126.92 2.99 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.015 -0.834 . . . . 15.0 111.015 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.32 -36.36 75.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.595 0.236 . . . . 15.0 111.19 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -55.33 -36.78 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.671 -0.24 . . . . 15.0 111.173 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -108.41 126.27 52.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.802 0.335 . . . . 15.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -142.59 150.87 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 15.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.12 17.43 24.09 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.623 0.601 . . . . 15.0 112.623 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.98 149.9 21.29 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.787 0.327 . . . . 15.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.81 37.09 10.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.519 -0.633 . . . . 15.0 111.519 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -120.2 131.86 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.35 . . . . 15.0 110.432 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -62.89 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.967 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.0 p -62.45 -31.77 72.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.835 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.85 -39.34 77.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.624 0.25 . . . . 15.0 110.896 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -100.83 125.91 47.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.407 . . . . 15.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.04 -33.4 75.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.897 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -122.64 151.96 40.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.927 0.394 . . . . 15.0 111.265 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.18 132.3 54.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.3 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -66.75 -30.28 70.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 15.0 112.081 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.8 t -81.86 140.18 34.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 15.0 110.896 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -149.18 -42.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.492 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.07 124.08 50.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.197 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -57.37 -40.95 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.27 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -130.3 146.27 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.548 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt -100.76 129.03 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.962 -0.295 . . . . 15.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -81.56 97.58 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.7 -37.37 73.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.18 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 15.0 110.792 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -110.96 152.47 26.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.375 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.18 85.69 51.47 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.23 -36.21 16.63 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.493 1.462 . . . . 15.0 112.674 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -105.78 125.06 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.709 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.28 137.52 55.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 15.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.6 t -135.82 146.16 47.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.41 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.98 152.77 43.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 mt -127.83 82.64 67.99 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.389 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.63 -52.87 7.33 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.454 1.436 . . . . 15.0 112.317 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.3 tp -99.78 129.73 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.536 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.0 tp -101.16 128.35 47.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.345 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.35 122.36 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.899 -0.88 . . . . 15.0 110.899 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -58.61 -35.87 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.225 -0.19 . . . . 15.0 111.366 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -84.88 112.71 44.93 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 118.692 -0.67 . . . . 15.0 110.503 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -88.04 113.27 0.8 Allowed 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.462 1.442 . . . . 15.0 112.172 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.61 -38.05 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.048 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.19 -40.54 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.399 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -98.74 151.14 21.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 15.0 110.747 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -135.93 149.27 48.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.662 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -108.33 38.28 3.4 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.159 -0.776 . . . . 15.0 111.159 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.71 -35.03 56.95 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.574 -0.61 . . . . 15.0 111.574 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.17 133.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 15.0 110.096 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.24 142.29 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.556 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -98.17 31.38 8.05 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.036 -0.602 . . . . 15.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -119.9 130.67 54.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.993 0.396 . . . . 15.0 110.43 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -61.45 -39.34 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.885 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.66 165.42 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.391 . . . . 15.0 110.951 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.13 30.49 50.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.991 -0.549 . . . . 15.0 112.072 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -64.32 -33.06 74.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.957 0.378 . . . . 15.0 111.555 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -84.77 169.43 44.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.179 -0.768 . . . . 15.0 111.179 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.5 t -144.81 131.37 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 15.0 110.651 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.25 -35.9 82.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.244 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -54.08 -34.66 60.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.456 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.0 tp -55.31 -38.29 68.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.637 0.256 . . . . 15.0 111.007 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -108.24 131.96 54.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.357 . . . . 15.0 110.474 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -102.84 132.35 49.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.023 -0.989 . . . . 15.0 110.554 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.454 -0.573 . . . . 15.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.75 -36.76 67.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.65 107.47 1.87 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.107 -0.797 . . . . 15.0 111.107 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.44 -34.29 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 15.0 111.431 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.11 -35.7 62.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.766 -0.197 . . . . 15.0 111.458 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -82.11 106.31 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -69.99 -42.16 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.879 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.76 129.86 41.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 15.0 110.894 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.2 tp -105.77 129.96 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.57 -43.38 0.24 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 15.0 111.106 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -118.09 139.88 50.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.963 0.411 . . . . 15.0 110.726 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -147.41 -38.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.959 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -36.35 74.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.261 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -56.94 -39.98 75.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.631 0.253 . . . . 15.0 110.748 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.46 -35.72 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.319 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.48 -35.18 71.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.681 -0.236 . . . . 15.0 111.442 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -117.13 158.4 24.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.895 0.379 . . . . 15.0 110.949 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -130.0 138.66 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.369 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -111.57 123.42 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -146.69 146.04 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.532 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -130.28 138.51 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.05 148.86 41.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.536 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -146.33 169.32 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -128.43 149.1 50.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.263 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp -106.1 128.29 53.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.08 110.96 3.19 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.5 tp -101.47 128.05 47.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.46 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -106.27 123.02 47.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.372 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -61.58 -35.56 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.268 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.55 82.48 19.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.791 -0.186 . . . . 15.0 110.66 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.39 109.55 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.326 1.351 . . . . 15.0 111.86 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -102.0 125.56 48.71 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.91 -0.404 . . . . 15.0 109.91 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.81 -36.42 81.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.904 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -107.68 143.12 36.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 15.0 111.288 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.8 p -113.95 138.69 50.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.297 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.72 -34.99 70.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.608 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.8 mt -120.99 87.76 43.9 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.728 -0.215 . . . . 15.0 111.069 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 109.96 1.71 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.255 1.303 . . . . 15.0 111.729 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.52 -36.1 73.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.254 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.89 -38.34 70.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.622 0.249 . . . . 15.0 111.002 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.92 149.0 51.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.08 -0.808 . . . . 15.0 111.08 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.0 p -135.21 157.18 47.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 15.0 110.501 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.76 83.33 66.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.584 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -76.59 114.97 3.97 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.363 1.375 . . . . 15.0 112.039 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.8 mt -96.74 134.22 40.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.71 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.24 -40.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.346 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.18 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.287 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.36 144.34 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 15.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 178.76 -116.39 0.53 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 78.27 38.89 24.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.58 133.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.875 0.369 . . . . 15.0 110.016 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -106.49 148.42 28.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.06 -54.14 0.44 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.089 -0.805 . . . . 15.0 111.089 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -55.49 -38.64 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 15.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.9 t -69.33 122.3 18.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 15.0 110.879 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.2 -33.98 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.525 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.43 60.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.548 -0.621 . . . . 15.0 111.548 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.5 p -61.97 -34.35 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 15.0 111.466 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.36 121.84 21.68 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.039 -0.824 . . . . 15.0 111.039 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -59.67 -37.2 78.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.617 0.246 . . . . 15.0 111.121 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -99.43 138.42 36.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 15.0 110.643 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -117.21 129.6 56.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 15.0 110.833 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.56 -40.29 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.76 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -116.79 130.13 56.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 15.0 110.722 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.3 -45.6 83.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 15.0 111.317 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.93 -177.486 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.343 -0.614 . . . . 15.0 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.36 -37.92 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.075 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.62 -35.62 3.9 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.514 -0.635 . . . . 15.0 111.514 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.85 -31.54 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.738 0.273 . . . . 15.0 111.738 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.3 -34.82 48.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.606 0.225 . . . . 15.0 111.606 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -112.04 120.27 41.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.897 0.38 . . . . 15.0 110.516 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -88.2 -14.44 38.55 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.01 -41.97 75.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 117.96 0.346 . . . . 15.0 110.881 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.97 147.84 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.473 -0.331 . . . . 15.0 110.593 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.02 52.29 3.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.489 -0.645 . . . . 15.0 111.489 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.1 m -117.98 133.39 55.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 15.0 110.465 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.75 -39.16 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.208 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -65.06 147.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 15.0 111.09 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -103.39 23.38 12.63 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.884 -0.598 . . . . 15.0 112.118 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.74 -35.22 70.41 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.348 -0.22 . . . . 15.0 111.254 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.25 -34.68 61.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 15.0 111.426 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -112.6 150.64 31.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.899 0.38 . . . . 15.0 110.526 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -160.05 -41.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.636 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.68 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.327 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -107.18 148.0 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 15.0 110.857 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -143.59 158.48 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.563 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -135.72 121.19 19.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.507 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -160.09 -67.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.378 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -129.18 147.54 51.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.274 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -102.53 123.22 45.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.512 -0.313 . . . . 15.0 110.193 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -90.41 107.42 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.6 137.85 37.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.28 8.85 33.95 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.083 0.772 . . . . 15.0 113.083 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -58.08 -34.71 70.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.05 0.386 . . . . 15.0 111.446 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.95 88.88 2.1 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-O 119.619 -0.229 . . . . 15.0 110.616 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.72 163.51 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.19 1.26 . . . . 15.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -137.59 160.14 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.771 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -140.81 -51.38 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.492 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -60.58 -40.65 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 15.0 110.847 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.8 m -57.06 -35.86 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.369 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 142.3 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 15.0 110.466 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.0 tt -128.96 80.35 72.95 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.623 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.22 105.74 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.274 1.316 . . . . 15.0 111.804 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 25.3 tp -98.66 126.29 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.459 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.54 -38.67 88.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.49 142.13 43.42 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.6 m -122.34 149.43 43.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 15.0 110.629 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.72 82.45 54.54 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.228 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.64 91.9 1.12 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.479 1.453 . . . . 15.0 112.353 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.51 -37.72 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.09 -38.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 15.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.16 -31.78 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.633 0.234 . . . . 15.0 111.633 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.96 125.31 23.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 15.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.03 -34.96 91.38 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.571 -0.612 . . . . 15.0 111.571 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.79 -35.13 46.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.769 -0.532 . . . . 15.0 111.769 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -115.24 133.89 60.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.12 155.24 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.752 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.36 122.64 2.24 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -120.14 131.21 54.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.862 0.363 . . . . 15.0 110.361 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.9 m -61.9 -39.34 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.819 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -111.48 160.04 17.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 15.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -137.27 39.56 1.61 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.054 -0.819 . . . . 15.0 111.054 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 m -65.5 155.12 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 15.0 110.75 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.73 31.54 49.14 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.96 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.1 p -62.8 -34.63 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.039 0.42 . . . . 15.0 111.317 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.13 137.51 48.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.796 0.331 . . . . 15.0 110.567 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.17 124.66 50.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.358 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.43 -37.01 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -57.5 -40.82 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.71 0.291 . . . . 15.0 110.739 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -100.76 131.69 46.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.597 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.995 -1.002 . . . . 15.0 110.502 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.7 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.96 -37.4 68.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.142 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.4 114.42 2.76 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.963 -0.855 . . . . 15.0 110.963 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -108.17 129.13 55.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.689 0.28 . . . . 15.0 110.523 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -160.0 15.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.915 0.709 . . . . 15.0 112.915 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -67.77 -36.56 80.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 117.941 0.337 . . . . 15.0 111.382 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -59.31 -36.06 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.297 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.3 -40.77 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.683 0.277 . . . . 15.0 110.651 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.17 -38.75 92.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -37.82 88.31 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.379 -0.688 . . . . 15.0 111.379 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -58.42 -35.15 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.63 0.253 . . . . 15.0 111.529 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.01 -37.46 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.658 -0.246 . . . . 15.0 111.239 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -118.65 144.99 45.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.923 0.392 . . . . 15.0 111.059 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -128.05 130.12 47.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.288 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.8 tp -109.75 126.81 54.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 15.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.5 t -60.99 -42.55 98.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.582 -175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -114.24 135.4 54.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.737 0.304 . . . . 15.0 110.58 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -139.18 103.97 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.718 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -124.47 142.16 51.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.458 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -125.97 134.78 51.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.18 114.52 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.185 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -135.98 142.97 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.811 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -129.36 139.54 51.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.059 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -106.65 124.54 49.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -84.63 102.84 0.87 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.19 -38.55 76.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.012 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.68 138.88 37.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 15.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -109.87 135.83 50.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.628 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.1 tp -102.18 136.07 19.51 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-O 118.868 -0.587 . . . . 15.0 109.477 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -86.98 -28.74 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.504 1.47 . . . . 15.0 112.866 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -107.38 132.8 52.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.406 . . . . 15.0 110.865 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.0 142.67 45.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.387 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -115.8 128.28 55.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 15.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.6 p -67.35 -26.71 66.62 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.204 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 144.13 21.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.007 0.432 . . . . 15.0 111.221 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.2 mt -126.49 85.87 59.45 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.21 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -60.64 -44.89 23.83 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.355 1.37 . . . . 15.0 112.092 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.57 134.75 36.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 15.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.6 tp -108.88 131.14 55.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.677 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -149.87 117.39 0.85 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.741 -0.943 . . . . 15.0 110.741 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -141.6 158.01 44.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 15.0 110.88 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.89 85.18 60.87 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.965 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.26 -41.43 22.22 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.501 1.468 . . . . 15.0 113.051 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.82 -38.62 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.484 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.5 t -119.61 126.91 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 110.62 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.13 112.39 24.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.5 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.689 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.08 29.13 63.11 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 121.363 -0.446 . . . . 15.0 112.201 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.78 -37.96 93.23 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -117.93 132.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.832 0.349 . . . . 15.0 110.127 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -102.19 129.5 48.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.333 178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.25 -29.57 74.88 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 116.292 -0.413 . . . . 15.0 112.419 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -51.46 -38.62 54.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.035 0.383 . . . . 15.0 112.035 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.3 t -60.47 -38.83 85.49 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.098 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -108.56 119.67 40.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.69 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -104.25 35.7 4.87 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.431 -0.668 . . . . 15.0 111.431 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -61.34 -32.7 72.59 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.758 -0.26 . . . . 15.0 111.654 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.7 67.32 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.511 -0.636 . . . . 15.0 111.511 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.8 p -60.56 -31.98 71.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.12 -36.41 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.592 0.234 . . . . 15.0 111.254 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.47 -36.67 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.661 -0.245 . . . . 15.0 111.335 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.72 -38.86 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 15.0 111.084 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -64.12 -34.09 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.539 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.08 -41.5 75.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.821 0.343 . . . . 15.0 110.802 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.535 179.548 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.111 -0.699 . . . . 15.0 109.111 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -87.56 9.15 22.05 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.184 0.809 . . . . 15.0 113.184 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.44 75.69 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.401 -0.68 . . . . 15.0 111.401 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.12 -34.83 68.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.201 -0.2 . . . . 15.0 111.397 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.75 -37.88 66.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.56 0.219 . . . . 15.0 111.199 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -116.5 130.42 56.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.902 0.382 . . . . 15.0 110.724 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.8 -40.1 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.95 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -55.6 -36.07 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.195 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.24 149.29 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 15.0 110.634 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.19 31.75 18.99 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.014 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.3 p -63.33 -30.75 71.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.893 0.347 . . . . 15.0 111.801 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -55.5 -35.18 65.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.597 0.237 . . . . 15.0 111.596 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -56.07 -29.39 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.082 0.401 . . . . 15.0 112.082 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -72.97 128.04 34.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.407 . . . . 15.0 110.747 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.33 -33.9 76.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.597 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -54.21 -35.62 62.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.541 0.21 . . . . 15.0 111.405 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -55.98 -35.87 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.154 -0.218 . . . . 15.0 111.376 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 15.0 110.744 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -160.0 141.58 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.573 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -120.45 142.8 48.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.348 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -112.52 -37.83 4.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.238 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.17 137.84 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 15.0 111.02 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.26 139.18 49.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.41 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ptt-85 -148.95 155.11 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -109.97 132.06 54.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.642 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 122.87 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.79 -38.32 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 15.0 110.983 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -87.77 122.54 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 15.0 110.742 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -108.68 26.07 10.98 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.103 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -126.28 81.74 66.81 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 122.337 -0.227 . . . . 15.0 110.683 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.17 120.48 8.26 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.309 1.339 . . . . 15.0 111.814 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -61.42 -37.61 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.097 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.54 142.26 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 15.0 110.532 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -112.83 32.53 5.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.38 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.5 p -61.96 -33.97 75.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.118 -0.233 . . . . 15.0 111.471 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.88 140.57 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 15.0 110.716 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -130.66 81.65 66.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.325 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.4 114.49 1.97 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.376 1.384 . . . . 15.0 112.24 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.5 mt -99.38 135.15 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 15.0 110.682 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.3 mt -103.72 140.13 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.112 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.94 120.45 4.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.766 . . . . 15.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -59.14 -34.48 72.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.558 0.218 . . . . 15.0 111.39 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -113.3 88.15 12.3 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 119.622 -0.228 . . . . 15.0 110.544 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.76 121.0 8.9 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.353 1.369 . . . . 15.0 111.996 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.59 -34.66 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 15.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.8 p -122.7 137.54 55.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 15.0 110.453 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.43 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.188 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.43 86.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.94 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.34 -177.2 48.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.95 -0.86 . . . . 15.0 110.95 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.37 129.75 6.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.38 158.23 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.311 . . . . 15.0 110.315 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.52 153.76 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 15.0 110.665 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.45 41.49 1.41 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.811 -0.916 . . . . 15.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.21 134.67 52.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.899 0.381 . . . . 15.0 110.665 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 59.0 p -67.67 -32.69 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 15.0 111.587 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -65.36 166.58 9.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.801 0.334 . . . . 15.0 110.581 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.87 36.31 22.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.1 m -64.94 155.93 32.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.793 0.33 . . . . 15.0 110.542 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.53 126.62 4.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.969 -0.853 . . . . 15.0 110.969 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -58.85 -36.54 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.545 0.212 . . . . 15.0 111.181 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.06 128.88 38.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 15.0 110.821 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.45 -38.21 89.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 15.0 110.982 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 27.0 tp -98.46 127.44 44.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.437 -0.347 . . . . 15.0 110.245 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -62.92 -35.69 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.511 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.45 147.49 33.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 15.0 110.655 -178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.537 179.848 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -57.35 -31.8 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.751 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.0 60.53 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.543 -0.623 . . . . 15.0 111.543 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.92 -34.63 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.771 -0.252 . . . . 15.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.86 -37.73 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.592 0.234 . . . . 15.0 111.227 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -114.47 136.34 53.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.827 0.346 . . . . 15.0 110.662 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -134.75 159.54 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.26 125.31 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.294 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.5 -39.6 88.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.894 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 150.84 37.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.13 -0.788 . . . . 15.0 111.13 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -125.51 131.61 52.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.755 0.312 . . . . 15.0 110.433 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -62.81 -39.95 95.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.786 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -39.43 83.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.96 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 15.0 110.622 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.06 -39.06 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.52 -38.11 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 15.0 111.066 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.8 m -77.85 128.18 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 15.0 110.875 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -65.02 -39.86 94.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.984 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -54.34 -34.09 60.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.784 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -56.82 -35.46 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.03 -0.268 . . . . 15.0 111.299 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -65.6 -35.58 81.24 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.17 -0.212 . . . . 15.0 111.333 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -96.74 124.66 40.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.379 . . . . 15.0 110.783 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -135.53 33.28 3.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.533 . . . . 15.0 111.533 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -126.26 147.54 49.67 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.705 0.288 . . . . 15.0 110.675 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.11 129.0 54.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.299 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -82.14 108.92 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.74 139.26 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -114.92 129.97 56.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.783 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -60.18 -36.26 77.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.135 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 tp -116.48 86.98 19.22 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.497 -0.319 . . . . 15.0 110.165 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.81 5.38 2.54 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.296 1.33 . . . . 15.0 113.901 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -101.37 129.78 47.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.787 0.327 . . . . 15.0 110.202 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -114.13 151.39 32.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.827 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -121.82 138.31 54.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.079 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -114.75 134.7 54.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.972 0.415 . . . . 15.0 110.919 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.763 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -101.57 103.24 26.35 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 119.035 -0.507 . . . . 15.0 110.519 -178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -48.99 -27.96 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.386 1.39 . . . . 15.0 112.848 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.5 mt -56.26 -38.53 71.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.074 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.5 mt -85.61 140.63 30.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 15.0 110.37 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.19 61.54 0.31 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.983 -0.847 . . . . 15.0 110.983 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -56.06 -35.45 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.119 -0.232 . . . . 15.0 111.264 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.92 123.3 83.75 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-O 118.484 -0.769 . . . . 15.0 110.216 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.29 -38.07 87.21 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.18 1.254 . . . . 15.0 112.03 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.87 140.66 29.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.519 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.5 t -118.48 132.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.075 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.86 82.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.316 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.98 142.94 49.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 15.0 110.759 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -107.11 -152.47 18.57 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.85 -35.48 4.97 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.533 -0.627 . . . . 15.0 111.533 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.57 -41.33 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 147.53 51.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.778 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.47 149.36 16.97 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.738 -0.945 . . . . 15.0 110.738 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.54 132.33 54.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 15.0 110.78 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.3 m -62.95 -36.5 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.22 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.49 166.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.841 0.353 . . . . 15.0 110.737 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.7 39.94 13.27 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.5 m -57.23 -36.39 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.523 0.201 . . . . 15.0 111.342 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.18 78.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.141 -0.784 . . . . 15.0 111.141 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -61.03 -38.29 85.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 15.0 110.967 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.97 -34.92 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.496 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -94.34 109.72 21.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.331 . . . . 15.0 110.631 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -59.72 -38.37 81.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.944 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -77.67 136.75 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.667 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.2 154.39 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.471 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.3 125.07 50.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.734 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.26 -33.89 66.28 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.725 -0.55 . . . . 15.0 111.725 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.84 -33.37 68.57 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 122.802 -0.234 . . . . 15.0 111.517 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.03 -36.0 62.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.558 0.218 . . . . 15.0 111.374 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -114.84 134.19 55.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.818 0.342 . . . . 15.0 110.424 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -69.47 -38.76 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.999 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -81.43 126.82 32.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.665 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -38.98 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -38.25 3.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -126.28 140.16 52.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.835 0.35 . . . . 15.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -93.34 11.06 29.54 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.048 0.759 . . . . 15.0 113.048 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -121.62 135.5 54.98 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.023 -0.423 . . . . 15.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -64.97 -37.26 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.033 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -92.81 126.14 37.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 15.0 110.324 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.21 -37.75 84.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.247 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -71.78 126.51 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 15.0 110.657 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -61.49 -39.55 91.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.988 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -96.11 103.75 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 15.0 110.732 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -60.76 -35.28 76.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 15.0 111.459 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 -33.9 71.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.694 -0.23 . . . . 15.0 111.611 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -89.4 117.43 28.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.361 . . . . 15.0 110.597 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -136.33 27.47 3.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.121 -0.49 . . . . 15.0 112.045 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -130.63 150.6 51.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.702 0.287 . . . . 15.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.37 123.68 46.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.519 -0.31 . . . . 15.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -78.45 134.41 12.5 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -93.18 20.36 7.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.991 -0.55 . . . . 15.0 112.413 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -55.92 -35.71 66.9 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.224 -0.297 . . . . 15.0 111.41 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -87.13 136.74 32.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.887 0.375 . . . . 15.0 110.843 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 tp -130.26 76.3 78.0 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.797 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -89.16 84.59 0.55 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.754 1.636 . . . . 15.0 113.402 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.23 135.58 53.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.27 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -111.24 140.4 45.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.634 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -116.88 130.83 56.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.435 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.7 p -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.806 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.62 143.13 47.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 15.0 110.811 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 83.24 66.68 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -83.59 69.18 6.83 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.652 1.568 . . . . 15.0 112.389 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.2 tp -103.72 125.49 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.153 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.25 -39.88 88.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.878 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.14 121.23 5.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.137 -0.785 . . . . 15.0 111.137 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -59.84 -34.6 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.491 0.186 . . . . 15.0 111.391 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.1 89.48 3.05 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.522 -0.275 . . . . 15.0 110.595 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.2 111.07 1.16 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.281 1.32 . . . . 15.0 111.877 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.572 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.0 125.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.981 0.419 . . . . 15.0 110.474 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.57 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.845 -0.616 . . . . 15.0 111.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.8 143.57 25.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 15.0 111.051 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.24 124.75 3.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.044 -0.823 . . . . 15.0 111.044 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.65 -38.07 79.86 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.188 -0.765 . . . . 15.0 111.188 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.27 131.8 68.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.41 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.45 27.87 64.76 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 121.282 -0.485 . . . . 15.0 112.282 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -111.62 28.48 8.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.193 0.497 . . . . 15.0 111.901 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.2 t -66.88 139.69 57.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 15.0 110.611 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -117.75 125.86 51.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.55 81.58 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.324 -0.71 . . . . 15.0 111.324 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.1 m -62.12 154.61 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 15.0 110.501 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -161.85 119.11 0.86 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.159 -0.777 . . . . 15.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.4 p -62.32 -28.74 69.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.972 0.36 . . . . 15.0 111.972 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.52 -33.7 68.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.517 0.192 . . . . 15.0 111.517 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -77.3 113.94 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 15.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.56 -37.66 76.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.075 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -59.77 -37.06 78.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 15.0 111.116 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.32 -41.73 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 15.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.932 -1.032 . . . . 15.0 110.532 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.372 -0.603 . . . . 15.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -104.91 119.09 38.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.548 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.72 -37.36 92.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.381 -0.688 . . . . 15.0 111.381 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.02 17.43 5.79 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -54.82 -38.12 66.98 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.188 -0.32 . . . . 15.0 111.027 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -60.57 -35.06 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 15.0 111.422 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.17 125.68 38.95 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.997 -0.371 . . . . 15.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -61.47 -45.4 94.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.036 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.29 -45.28 92.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.741 -0.384 . . . . 15.0 111.191 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.45 42.71 65.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.408 -0.677 . . . . 15.0 111.408 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -59.34 129.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 15.0 111.133 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.94 -34.4 78.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.554 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -52.29 -32.26 36.75 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.83 121.72 11.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 15.0 110.687 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.79 -32.71 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.579 . . . . 15.0 111.558 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -53.7 -31.34 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.62 0.229 . . . . 15.0 111.62 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -53.14 -38.9 63.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.702 0.286 . . . . 15.0 111.26 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.39 130.02 55.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 15.0 110.632 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -104.64 122.09 44.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.304 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.3 p -61.34 -35.23 76.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.455 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -122.57 117.83 26.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 15.0 110.97 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.87 -36.38 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.372 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.3 -37.19 64.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.406 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -117.38 141.65 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.326 -0.25 . . . . 15.0 110.326 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt -107.02 132.28 53.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.75 108.35 2.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.7 tp -100.7 129.58 46.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.511 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.23 140.41 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.511 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -87.05 -1.88 58.21 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.2 tp -127.23 80.17 72.05 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.347 0.521 . . . . 15.0 110.665 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.79 161.06 8.67 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.322 1.348 . . . . 15.0 111.752 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.75 155.15 50.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.68 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -147.96 141.47 25.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.537 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.67 127.18 54.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.37 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -66.15 -31.37 72.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.863 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.15 139.65 32.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.878 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.7 tp -130.12 84.09 61.29 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.29 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.85 116.43 3.68 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.328 1.352 . . . . 15.0 111.903 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.2 tp -100.16 127.52 46.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.505 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.71 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 15.0 110.809 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 34.18 58.59 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.673 -0.571 . . . . 15.0 111.673 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m -122.08 147.67 45.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.804 0.335 . . . . 15.0 110.231 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.84 78.09 73.9 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.357 -0.383 . . . . 15.0 110.572 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.41 72.99 3.53 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.664 1.576 . . . . 15.0 112.012 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.1 mt -96.33 133.77 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.621 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.71 -41.95 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.04 85.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.93 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.2 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.89 118.84 15.32 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.003 -0.839 . . . . 15.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.79 -36.69 80.74 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.343 -0.703 . . . . 15.0 111.343 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.68 131.64 60.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.978 -0.378 . . . . 15.0 109.978 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.56 87.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 15.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 119.45 7.8 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.1 -0.8 . . . . 15.0 111.1 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.15 -39.6 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 15.0 110.889 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -70.4 134.58 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.676 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -110.66 125.9 53.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.619 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.69 79.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.426 -0.67 . . . . 15.0 111.426 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 m -56.73 -35.67 68.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.566 0.222 . . . . 15.0 111.305 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.52 58.34 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.5 m -55.24 -34.49 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.692 -0.299 . . . . 15.0 111.516 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.29 -35.73 74.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.535 0.198 . . . . 15.0 111.535 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -87.47 7.67 28.27 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.476 0.917 . . . . 15.0 113.476 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.52 -35.8 76.86 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 118.085 0.402 . . . . 15.0 111.199 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -117.98 139.27 51.42 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.954 0.407 . . . . 15.0 110.79 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -109.11 135.09 50.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.369 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 15.0 110.39 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -56.33 -40.16 74.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.44 63.08 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.286 -0.725 . . . . 15.0 111.286 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.46 -37.37 72.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 15.0 111.101 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -98.27 92.21 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.467 0.651 . . . . 15.0 111.044 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -64.8 -26.76 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 15.0 112.154 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -54.37 -39.91 67.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.823 0.344 . . . . 15.0 111.015 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -58.83 -40.09 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.51 -35.93 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.68 -37.85 62.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.413 -0.675 . . . . 15.0 111.413 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -58.68 -38.62 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.935 -0.306 . . . . 15.0 110.92 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.03 -37.05 73.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.228 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 t -55.9 -37.86 69.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.542 -0.299 . . . . 15.0 111.132 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -98.78 128.49 45.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 15.0 110.463 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.23 -38.36 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.976 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.32 139.3 36.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 15.0 110.674 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -118.14 -30.35 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.74 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.27 -40.67 74.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.61 0.243 . . . . 15.0 110.848 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -93.59 97.45 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 15.0 110.381 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -61.46 -36.8 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.381 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.47 138.17 54.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.92 0.391 . . . . 15.0 111.124 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.28 143.4 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.122 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -116.81 87.35 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.83 0.348 . . . . 15.0 111.124 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -138.84 151.53 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 15.0 109.929 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp -100.76 121.34 41.51 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.297 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -81.14 102.2 1.33 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.27 -38.01 73.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.42 135.76 33.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 15.0 110.644 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.69 152.55 22.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.465 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.9 tp -124.08 87.34 53.44 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.356 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.44 -39.46 16.82 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.529 1.486 . . . . 15.0 112.852 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -105.86 127.75 53.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 15.0 110.394 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -116.59 131.43 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.432 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.15 -39.01 92.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.082 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -59.69 157.77 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.63 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.35 154.42 50.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.555 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.6 tt -124.63 79.95 62.03 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.372 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.76 122.67 11.38 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.283 1.322 . . . . 15.0 112.192 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.4 tp -100.97 126.88 47.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.225 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.45 -40.18 90.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.832 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.92 40.36 63.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.978 -0.849 . . . . 15.0 110.978 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -59.07 -30.57 68.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.779 0.288 . . . . 15.0 111.779 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.6 79.21 38.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 110.402 -0.222 . . . . 15.0 110.402 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.39 117.23 3.86 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.382 1.388 . . . . 15.0 111.889 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.7 tp -99.74 128.98 45.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.9 t -119.41 131.59 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.001 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.86 85.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.225 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.31 145.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 15.0 110.779 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -128.85 47.44 1.02 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.645 -0.982 . . . . 15.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.34 128.01 38.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.374 -0.69 . . . . 15.0 111.374 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -38.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.554 0.216 . . . . 15.0 110.421 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.65 -31.1 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.528 -0.305 . . . . 15.0 111.704 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.09 -33.43 37.43 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.87 -0.492 . . . . 15.0 111.87 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.5 128.88 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 15.0 110.416 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.7 m -60.75 -40.24 91.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.787 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -56.37 -39.16 72.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.892 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.92 35.07 65.29 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.503 -0.639 . . . . 15.0 111.503 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 50.2 m -122.47 147.92 45.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 15.0 110.629 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -141.61 126.35 3.0 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.909 -0.876 . . . . 15.0 110.909 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.86 -33.2 73.75 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.105 -0.238 . . . . 15.0 111.611 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.71 -36.98 82.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.601 0.238 . . . . 15.0 111.178 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -106.69 116.85 32.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.704 0.287 . . . . 15.0 110.573 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.0 tp -101.43 122.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 15.0 110.367 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -103.73 -1.7 27.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.206 0.817 . . . . 15.0 113.206 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -132.46 163.06 29.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.202 0.456 . . . . 15.0 110.732 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.024 -0.989 . . . . 15.0 110.421 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.68 -36.22 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.63 -36.48 59.06 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.451 -0.66 . . . . 15.0 111.451 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.47 -37.06 72.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.073 -0.251 . . . . 15.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -55.72 -37.77 68.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.634 -0.257 . . . . 15.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -102.27 140.18 36.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 15.0 110.604 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -128.0 159.0 36.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 15.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.61 -55.99 2.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.087 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.81 139.68 32.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 15.0 111.197 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.61 45.91 0.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.551 -1.019 . . . . 15.0 110.551 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -56.95 -35.89 69.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.44 0.163 . . . . 15.0 111.44 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -77.57 108.15 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 15.0 110.875 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -61.03 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.019 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -92.26 135.16 34.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 15.0 110.746 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -107.18 126.12 51.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.096 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.87 -35.06 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.6 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.6 m -53.56 -38.07 63.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.75 -0.205 . . . . 15.0 111.318 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -110.5 132.73 53.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 15.0 110.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -142.68 111.27 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -116.65 143.85 45.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 15.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -93.62 -6.21 47.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.224 0.824 . . . . 15.0 113.224 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -54.92 -33.66 62.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.112 0.415 . . . . 15.0 111.622 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.32 -36.51 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.233 -0.187 . . . . 15.0 111.409 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.92 140.18 50.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 15.0 111.012 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp -109.61 130.97 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.073 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -82.58 61.18 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.3 tp -103.83 126.55 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.163 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -103.66 145.1 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.739 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.19 144.22 49.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.43 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.0 tp -128.45 85.91 59.15 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.207 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -84.38 25.73 0.68 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.662 1.574 . . . . 15.0 113.142 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -104.5 127.71 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.744 0.307 . . . . 15.0 110.271 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.59 -36.66 81.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 15.0 111.472 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -62.91 -35.66 80.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.65 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.8 p -115.81 155.19 28.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 15.0 110.67 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.64 149.37 33.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.726 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.3 mt -129.16 83.09 66.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.105 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 81.25 2.46 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.412 1.408 . . . . 15.0 112.528 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.34 125.57 50.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.032 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.68 129.55 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 15.0 110.77 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.58 -36.67 92.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.384 -0.687 . . . . 15.0 111.384 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.0 m -60.58 153.18 24.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.926 0.393 . . . . 15.0 110.929 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.82 87.81 54.87 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.086 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.51 -44.62 20.74 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.474 1.449 . . . . 15.0 112.796 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.94 -37.8 74.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.507 -0.315 . . . . 15.0 111.166 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.36 132.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.994 0.426 . . . . 15.0 110.372 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.74 145.45 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.449 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.38 157.37 45.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.432 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -150.56 -175.03 22.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.111 -0.795 . . . . 15.0 111.111 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.55 37.02 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.309 -0.716 . . . . 15.0 111.309 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.53 136.16 61.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.929 -0.397 . . . . 15.0 109.929 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.81 152.42 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.307 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.6 -32.59 7.39 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.179 -0.534 . . . . 15.0 111.772 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -96.72 14.23 25.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.822 0.675 . . . . 15.0 112.822 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.5 m -57.48 -39.34 76.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 117.905 0.32 . . . . 15.0 110.799 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -55.93 -39.67 72.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.945 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.81 37.94 66.07 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.0 p -122.99 156.21 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 15.0 110.583 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 82.39 25.12 52.27 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.025 -0.534 . . . . 15.0 112.435 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.9 p -131.09 137.76 49.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 117.445 0.622 . . . . 15.0 110.412 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.03 -37.86 78.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.056 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.55 -36.83 67.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.217 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.09 140.18 30.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 15.0 110.744 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -142.9 162.41 35.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.641 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -141.35 162.42 35.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.941 -1.028 . . . . 15.0 110.502 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -55.8 -37.35 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.114 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.32 130.15 11.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.047 -0.821 . . . . 15.0 111.047 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -116.45 144.27 44.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.734 0.302 . . . . 15.0 110.358 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -137.87 -12.75 1.48 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.023 0.749 . . . . 15.0 113.023 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -61.46 -34.77 76.0 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 122.177 -0.327 . . . . 15.0 111.6 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -68.94 -22.05 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.679 0.622 . . . . 15.0 112.679 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -82.04 121.5 26.63 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 15.0 110.695 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.6 tp -64.27 -37.82 88.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 15.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.68 23.85 7.16 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.132 -0.556 . . . . 15.0 112.815 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.5 p -62.27 -30.02 70.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 117.418 0.609 . . . . 15.0 111.818 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.41 18.18 5.51 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.5 t -57.12 122.12 11.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.848 0.356 . . . . 15.0 110.527 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.3 -40.34 95.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.355 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.09 127.08 51.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 15.0 111.065 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.14 -38.27 85.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.899 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.5 m -119.83 133.96 55.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.06 0.457 . . . . 15.0 110.974 -177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.5 -38.88 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.061 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -81.52 11.64 4.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.089 0.774 . . . . 15.0 113.089 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 m -57.12 -35.31 69.31 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.063 0.392 . . . . 15.0 111.386 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -59.87 -35.81 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.404 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -86.25 128.91 34.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 15.0 110.72 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -130.93 23.67 4.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.392 0.516 . . . . 15.0 112.392 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -135.32 152.92 51.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.644 0.259 . . . . 15.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp -101.77 125.75 48.5 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.91 116.28 4.22 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -96.9 132.32 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 15.0 111.382 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.14 -27.57 69.47 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.703 -0.68 . . . . 15.0 112.143 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -50.73 -31.07 15.56 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.9 tt -117.91 79.58 13.76 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 110.537 -0.171 . . . . 15.0 110.537 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.61 154.41 42.82 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.391 1.394 . . . . 15.0 111.915 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -138.69 156.83 47.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.618 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -128.08 147.4 50.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.181 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -142.54 149.89 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -93.76 -35.53 12.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.666 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.6 148.79 41.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 15.0 111.29 -176.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.5 mp -127.16 73.93 77.08 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.975 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.82 113.13 1.43 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.323 1.349 . . . . 15.0 111.993 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.0 tp -99.76 127.65 45.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.391 . . . . 15.0 110.411 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.5 mt -99.58 140.87 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.61 128.15 2.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.081 -0.808 . . . . 15.0 111.081 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -122.86 148.15 45.74 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.2 73.35 72.17 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.476 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.17 110.77 0.74 Allowed 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.418 1.412 . . . . 15.0 111.742 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.39 -39.39 79.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 15.0 110.863 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.39 -38.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.057 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 148.74 49.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.834 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.13 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 177.03 -165.28 35.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.056 -0.818 . . . . 15.0 111.056 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.69 37.47 13.7 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.6 -42.13 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.14 146.91 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.512 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.04 130.16 5.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.15 -15.75 33.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.7 m -54.82 -39.09 68.17 Favored 'General case' 0 C--O 1.231 0.1 0 O-C-N 122.141 -0.35 . . . . 15.0 111.048 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -90.99 160.66 15.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.779 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.7 121.77 0.93 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.083 -0.807 . . . . 15.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.1 p -61.42 -36.81 81.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.675 0.274 . . . . 15.0 111.129 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.63 33.59 71.91 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.783 -0.527 . . . . 15.0 111.783 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.94 -31.94 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.66 -0.318 . . . . 15.0 111.722 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.34 -34.47 73.89 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -94.05 116.77 29.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.873 0.368 . . . . 15.0 110.788 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.58 5.47 45.47 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.978 0.733 . . . . 15.0 112.978 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -56.13 -37.58 69.65 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 118.14 0.427 . . . . 15.0 111.151 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -115.12 156.57 24.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.865 0.364 . . . . 15.0 110.777 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.985 -1.007 . . . . 15.0 110.588 -179.552 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -99.82 121.34 41.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.394 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.89 -77.51 1.32 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.141 -0.783 . . . . 15.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.31 136.85 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 15.0 110.755 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -96.98 10.35 39.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.937 0.718 . . . . 15.0 112.937 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.23 -40.27 81.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.103 0.411 . . . . 15.0 111.003 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -57.54 -40.22 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.992 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -100.76 128.82 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.866 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 mp -99.2 126.75 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.3 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.39 94.84 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.419 -0.672 . . . . 15.0 111.419 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -120.57 138.55 53.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.1 0.476 . . . . 15.0 111.329 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.89 -33.85 75.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.596 -0.729 . . . . 15.0 111.495 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -57.74 -33.4 68.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.596 0.221 . . . . 15.0 111.596 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -57.73 -35.09 70.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.35 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.86 -37.65 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.572 0.225 . . . . 15.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.05 126.66 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.883 0.373 . . . . 15.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 m -66.79 -37.09 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 15.0 111.354 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -108.31 136.26 48.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 15.0 111.447 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.71 125.29 50.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.164 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -60.02 -35.68 75.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.589 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -99.45 109.0 21.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 15.0 110.909 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -144.17 -16.49 0.58 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.016 0.747 . . . . 15.0 113.016 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.81 -38.82 64.96 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.118 -0.364 . . . . 15.0 111.635 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -145.85 122.9 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 15.0 110.989 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt -108.66 134.2 51.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.047 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -91.72 119.76 0.55 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.6 mp -97.04 134.26 40.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.088 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -105.82 145.31 31.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.534 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -125.6 152.6 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.489 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -121.57 82.58 40.65 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.241 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -82.09 103.18 1.29 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.514 1.476 . . . . 15.0 112.47 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -59.31 -34.59 72.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.475 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.43 -32.95 67.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.66 -0.246 . . . . 15.0 111.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -106.82 135.49 48.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.874 0.369 . . . . 15.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.6 m -86.37 22.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.903 -0.59 . . . . 15.0 112.534 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.69 145.02 20.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 15.0 110.961 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -123.75 86.4 53.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.497 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.0 118.26 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.296 1.33 . . . . 15.0 111.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.9 tp -56.42 -38.66 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.86 140.72 29.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 15.0 110.228 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -137.9 127.15 3.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.136 -0.785 . . . . 15.0 111.136 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 m -59.24 -34.98 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.458 0.171 . . . . 15.0 111.351 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.6 83.98 23.2 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.771 -0.195 . . . . 15.0 110.646 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.74 119.9 7.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.353 1.368 . . . . 15.0 111.972 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.5 tp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.353 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -62.82 -39.51 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.633 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.87 -36.46 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.277 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -86.6 119.31 26.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 15.0 110.457 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.7 -37.71 89.21 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.608 -0.597 . . . . 15.0 111.608 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.17 -44.81 93.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.165 -0.541 . . . . 15.0 111.779 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.6 m -74.13 -31.6 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.973 -0.291 . . . . 15.0 111.77 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.48 143.47 55.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 15.0 110.576 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.91 114.28 2.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -56.11 -39.32 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 15.0 110.99 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.9 m -77.71 135.1 38.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 15.0 110.664 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -109.41 124.56 51.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.429 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -87.3 29.54 5.18 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.074 -0.584 . . . . 15.0 112.255 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -35.5 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.074 0.437 . . . . 15.0 111.278 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 70.91 -121.29 9.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.753 -0.939 . . . . 15.0 110.753 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.3 m -59.42 147.74 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 15.0 110.259 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.45 144.53 50.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.679 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -116.07 111.17 19.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.263 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 76.1 mt -96.85 140.51 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 15.0 110.469 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -110.6 23.8 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.313 0.486 . . . . 15.0 112.313 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -60.42 -39.23 86.65 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.64 0.257 . . . . 15.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.492 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -106.46 149.06 27.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 42.26 7.67 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.975 -0.85 . . . . 15.0 110.975 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -60.15 -36.98 78.75 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.089 -0.244 . . . . 15.0 111.153 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -109.9 98.45 7.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 15.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -66.69 -34.01 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.584 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.97 -40.58 70.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.678 -0.237 . . . . 15.0 111.221 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -82.72 121.87 27.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 15.0 110.833 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.67 -35.07 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.409 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.95 -34.99 52.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.797 -0.521 . . . . 15.0 111.797 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -56.52 -37.15 70.04 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.727 -0.278 . . . . 15.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.62 148.8 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 15.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.0 t -121.85 130.42 53.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.424 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -62.81 -36.58 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.367 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.7 109.62 19.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 15.0 111.033 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.72 -34.45 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.46 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 t -52.76 -42.06 64.61 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.648 0.24 . . . . 15.0 111.648 -175.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -58.69 -43.0 89.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 15.0 110.537 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.07 -32.53 71.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.602 . . . . 15.0 111.891 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -110.22 145.48 37.25 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.142 0.496 . . . . 15.0 111.583 -174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -85.15 -5.24 59.34 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.27 -29.91 59.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.083 0.402 . . . . 15.0 111.905 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -49.95 -28.17 6.38 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -117.26 143.18 46.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.859 0.362 . . . . 15.0 110.602 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.7 tt -113.61 129.61 56.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.83 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -77.13 118.96 4.87 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tt -99.35 127.0 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.078 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -118.2 145.72 44.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.835 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.68 27.59 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.668 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 tt -123.59 78.44 55.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 110.068 -0.345 . . . . 15.0 110.068 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.32 50.24 2.36 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.755 1.637 . . . . 15.0 112.496 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.36 130.15 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -34.48 77.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.374 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.02 129.62 54.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.693 0.282 . . . . 15.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.6 p -128.53 140.38 51.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.967 0.413 . . . . 15.0 111.163 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.1 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.031 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.0 mt -79.93 141.6 55.14 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.355 -0.355 . . . . 15.0 110.32 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -90.11 2.42 5.22 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.817 1.678 . . . . 15.0 113.855 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.61 -35.5 65.93 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.164 -0.214 . . . . 15.0 111.118 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.6 mp -82.27 142.68 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 15.0 110.496 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -112.93 155.56 16.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.089 -0.804 . . . . 15.0 111.089 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.0 m -124.32 151.78 43.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 15.0 110.335 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.86 85.7 45.25 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.535 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.62 121.72 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.304 1.336 . . . . 15.0 112.003 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.14 -36.57 75.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.6 t -107.21 135.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 15.0 110.11 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.24 156.35 46.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.23 42.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.717 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.25 32.59 28.16 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.89 -0.484 . . . . 15.0 111.89 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.6 72.21 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.638 -0.585 . . . . 15.0 111.638 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.66 -33.58 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 122.76 -0.259 . . . . 15.0 111.638 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 142.99 37.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.341 . . . . 15.0 110.767 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.58 47.98 0.98 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 15.0 110.952 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -54.32 -37.32 64.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.635 0.255 . . . . 15.0 111.315 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.8 t -57.15 138.06 55.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 15.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -140.88 174.03 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -142.87 169.67 25.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.987 -0.845 . . . . 15.0 110.987 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.1 p -152.46 170.45 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 15.0 110.616 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.82 37.78 15.51 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.3 t -57.52 -37.19 72.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.996 -0.282 . . . . 15.0 110.973 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.15 -32.48 72.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.553 -0.294 . . . . 15.0 111.65 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -52.31 -32.42 37.69 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -79.58 131.42 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.948 0.404 . . . . 15.0 110.572 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -67.07 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.668 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -119.49 158.08 27.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.922 0.391 . . . . 15.0 110.673 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.973 -1.013 . . . . 15.0 110.601 -179.319 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.374 -0.602 . . . . 15.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -104.07 136.7 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.29 -125.39 1.39 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.061 -0.815 . . . . 15.0 111.061 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -57.89 140.14 52.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 15.0 110.7 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -118.87 104.49 10.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.407 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -66.65 -27.99 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.013 0.375 . . . . 15.0 112.013 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -54.72 -37.66 66.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.639 0.257 . . . . 15.0 111.163 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -57.17 -40.15 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 15.0 110.673 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.56 -39.23 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.693 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.62 -118.36 9.8 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.399 -0.68 . . . . 15.0 111.399 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 52.6 p -65.3 153.27 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 15.0 111.052 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -112.27 19.33 17.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.825 -0.625 . . . . 15.0 112.296 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -112.42 133.36 54.55 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.917 0.389 . . . . 15.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -62.56 -33.28 74.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 15.0 111.545 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -53.24 -30.62 39.11 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.662 0.245 . . . . 15.0 111.662 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.16 122.84 16.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.054 0.454 . . . . 15.0 110.543 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -63.25 -34.79 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.795 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -53.04 -37.61 61.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.662 -0.244 . . . . 15.0 111.623 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.29 -35.83 65.51 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.067 -0.253 . . . . 15.0 111.389 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -110.53 136.14 50.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.022 0.439 . . . . 15.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.04 -39.25 90.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.139 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -84.57 124.32 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.752 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -130.94 32.94 4.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.75 144.42 49.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.583 0.23 . . . . 15.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -107.34 128.28 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -92.6 99.13 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.51 139.32 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.711 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -126.82 148.53 49.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.477 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -122.21 150.95 41.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.374 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.75 78.76 56.61 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.305 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.39 -17.99 23.27 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.446 1.431 . . . . 15.0 113.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -93.95 130.55 40.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 15.0 110.909 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -109.98 142.06 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.437 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -132.71 149.04 52.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.962 0.411 . . . . 15.0 110.793 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -85.96 -30.29 22.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.042 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.96 148.34 13.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.32 . . . . 15.0 111.029 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.37 77.4 72.61 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.461 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.61 107.59 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.581 1.521 . . . . 15.0 111.994 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.81 134.7 35.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.564 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 5.8 mp -106.35 129.12 54.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.437 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.31 -35.52 91.06 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.637 -0.585 . . . . 15.0 111.637 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.7 p -59.85 -32.18 70.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.791 0.293 . . . . 15.0 111.791 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.02 148.14 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.924 -0.31 . . . . 15.0 110.435 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.31 -26.87 0.41 Allowed 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.693 1.595 . . . . 15.0 113.172 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.1 -35.44 69.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.606 -0.27 . . . . 15.0 111.312 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.67 152.74 22.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.981 0.419 . . . . 15.0 110.852 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.79 154.89 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.622 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -137.94 130.57 29.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 15.0 110.685 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.29 -36.56 93.22 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.85 -33.22 49.45 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.792 -0.523 . . . . 15.0 111.792 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.51 142.52 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.969 0.414 . . . . 15.0 110.902 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.92 34.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.342 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.65 45.34 1.32 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.063 -0.815 . . . . 15.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -54.65 -38.91 67.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 15.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.5 m -57.1 -39.21 74.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -96.35 153.22 17.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.521 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.48 38.59 14.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.158 -0.777 . . . . 15.0 111.158 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.2 t -113.63 131.31 56.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.922 0.392 . . . . 15.0 110.648 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.65 93.54 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.483 -0.647 . . . . 15.0 111.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 m -56.24 -37.44 69.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.592 0.234 . . . . 15.0 111.061 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.95 -35.26 77.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.326 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -97.47 120.64 38.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 15.0 110.469 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.3 tp -56.87 -38.86 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.99 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -113.74 106.68 14.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 15.0 110.158 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.88 -47.39 80.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.187 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.013 -0.994 . . . . 15.0 110.637 -179.71 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -87.96 157.46 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.6 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.89 36.75 17.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.458 -0.657 . . . . 15.0 111.458 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.51 128.48 36.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.788 0.328 . . . . 15.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -64.68 -38.93 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.907 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.76 131.75 56.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.481 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -76.98 -21.28 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -86.3 125.2 33.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.84 0.352 . . . . 15.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.76 -36.46 83.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.2 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.39 118.08 6.54 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.395 -0.682 . . . . 15.0 111.395 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -61.22 -34.57 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.547 0.213 . . . . 15.0 111.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -55.04 -37.05 66.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.579 0.228 . . . . 15.0 111.33 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -57.87 -33.0 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.994 -0.282 . . . . 15.0 111.583 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.34 -37.64 72.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.584 0.231 . . . . 15.0 111.052 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.4 tp -94.31 129.79 40.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 15.0 110.728 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -100.84 136.8 40.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.697 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -70.85 -30.17 66.51 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.066 -0.516 . . . . 15.0 111.85 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -38.23 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.601 0.238 . . . . 15.0 111.079 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.46 -34.84 59.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.556 -0.293 . . . . 15.0 111.577 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -86.95 148.83 25.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.89 0.376 . . . . 15.0 110.649 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -136.54 164.63 27.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.615 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -159.7 -32.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.669 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -60.5 132.72 54.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 15.0 111.304 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -133.74 158.97 41.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.868 -0.606 . . . . 15.0 110.244 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.3 tt -100.73 123.74 45.36 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.66 51.24 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.12 137.89 41.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.678 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -109.13 128.14 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.384 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -61.6 -36.08 79.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.268 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.46 88.58 38.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.641 -0.254 . . . . 15.0 110.876 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.04 86.44 0.12 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.222 1.281 . . . . 15.0 111.788 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.21 -38.49 76.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.174 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -70.37 127.04 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 15.0 110.738 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.8 -38.6 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 15.0 111.173 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 p -56.59 160.94 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 15.0 110.78 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.45 154.29 49.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.702 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.95 91.89 47.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.201 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -45.2 -31.39 6.01 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.553 1.502 . . . . 15.0 112.943 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.97 -43.91 82.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.863 0.363 . . . . 15.0 110.637 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.7 tp -101.53 126.12 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 15.0 109.931 175.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.22 144.54 17.31 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.301 -0.72 . . . . 15.0 111.301 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -124.41 151.24 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.167 -0.309 . . . . 15.0 110.167 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.41 76.28 44.18 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.535 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.73 101.35 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.415 1.41 . . . . 15.0 111.835 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.83 -37.96 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.017 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.42 -41.85 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 15.0 110.141 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.46 146.59 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.67 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.95 153.0 44.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.538 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.12 117.05 0.62 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.066 -0.814 . . . . 15.0 111.066 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.12 86.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.042 -0.823 . . . . 15.0 111.042 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.06 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.088 -0.338 . . . . 15.0 110.088 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.29 148.17 45.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.64 162.02 24.07 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 15.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.06 156.43 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 15.0 110.436 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.6 t -122.68 38.98 4.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.34 -38.52 68.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.047 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.0 38.81 74.43 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.6 t -109.54 139.98 43.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 15.0 110.546 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -104.2 -37.8 2.81 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.337 -0.705 . . . . 15.0 111.337 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -111.09 133.92 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 15.0 110.786 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.19 -35.71 81.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.247 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -99.35 118.63 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.816 0.341 . . . . 15.0 110.616 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.18 -40.5 96.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.893 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -67.5 -34.78 77.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 15.0 111.577 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.31 130.86 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 15.0 110.676 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.482 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -99.05 113.66 25.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.655 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.1 -28.1 48.0 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.12 -0.491 . . . . 15.0 112.475 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.47 -30.93 65.46 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.088 0.403 . . . . 15.0 112.088 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -77.47 10.45 2.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.225 0.824 . . . . 15.0 113.225 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -121.09 130.68 53.86 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.51 -48.33 78.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.94 -174.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.96 -39.69 90.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.883 -0.327 . . . . 15.0 111.456 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.46 -39.06 92.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.897 -0.321 . . . . 15.0 110.969 -178.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.65 -38.75 96.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.456 -0.658 . . . . 15.0 111.456 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.8 p -62.58 -33.75 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.723 0.268 . . . . 15.0 111.723 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 15.0 110.941 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -64.69 -34.39 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.668 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.19 -38.37 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.661 0.267 . . . . 15.0 111.21 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.81 -39.56 85.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.141 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -105.85 142.03 36.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 15.0 111.121 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.3 m -122.34 132.61 54.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 15.0 109.947 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -105.83 -34.08 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.759 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -82.42 155.75 24.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 15.0 111.48 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -132.4 131.09 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.265 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.57 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.601 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -108.54 125.62 52.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.386 . . . . 15.0 110.73 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.596 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.07 162.78 39.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.725 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp -105.85 130.27 53.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.949 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.3 127.09 8.07 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.4 mt -97.33 139.03 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.385 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -84.51 -2.29 57.09 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.162 0.801 . . . . 15.0 113.162 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -57.86 -35.19 70.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.188 0.449 . . . . 15.0 111.223 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.8 tt -117.11 85.13 17.9 Favored Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.287 -0.264 . . . . 15.0 110.287 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.68 90.78 0.29 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.366 1.377 . . . . 15.0 112.051 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -101.84 131.01 48.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -111.21 155.27 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.605 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -126.45 145.14 50.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.741 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.1 p -86.58 -9.82 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.56 138.79 51.47 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.069 0.395 . . . . 15.0 110.685 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -136.16 85.79 26.9 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.67 86.68 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.271 1.314 . . . . 15.0 111.776 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.19 -38.01 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.85 -40.1 75.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 15.0 110.757 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.4 35.84 63.2 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.528 -0.629 . . . . 15.0 111.528 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 91.4 p -131.67 153.96 49.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.714 0.292 . . . . 15.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.52 151.15 53.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.537 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.79 -31.66 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.657 1.572 . . . . 15.0 112.803 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.78 -35.7 75.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.393 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.54 -38.29 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.639 0.257 . . . . 15.0 111.06 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.27 142.33 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.557 -0.292 . . . . 15.0 110.467 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -116.79 -78.43 0.58 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.504 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.43 36.68 54.53 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.339 -0.704 . . . . 15.0 111.339 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.12 -32.97 60.37 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.856 -0.498 . . . . 15.0 111.856 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.7 136.54 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.979 0.419 . . . . 15.0 110.714 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.46 88.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.699 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.92 -34.77 4.7 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.719 -0.552 . . . . 15.0 111.719 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -123.57 141.05 52.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 15.0 110.723 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.6 m -124.03 136.79 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.195 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.6 132.28 54.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -99.88 32.18 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 121.161 -0.542 . . . . 15.0 111.846 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.5 t -140.56 151.98 45.15 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 122.641 -0.329 . . . . 15.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.64 40.8 14.18 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.926 -0.87 . . . . 15.0 110.926 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.0 p -58.73 -32.9 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.148 -0.221 . . . . 15.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.35 -38.04 73.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.642 0.258 . . . . 15.0 110.951 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -105.61 114.75 29.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.67 0.272 . . . . 15.0 110.472 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.44 131.15 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.674 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.54 -41.69 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.53 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -101.91 130.83 48.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.483 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.05 -0.976 . . . . 15.0 110.402 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.8 -37.08 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 15.0 111.142 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.09 37.28 3.68 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.362 -0.695 . . . . 15.0 111.362 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -54.66 -28.8 49.9 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -49.95 -19.8 0.78 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -49.93 -39.16 39.33 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.133 0.419 . . . . 15.0 112.133 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.79 124.75 45.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.198 -0.297 . . . . 15.0 110.198 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.7 -42.03 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.671 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.7 mt -95.96 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.432 . . . . 15.0 111.104 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -37.46 94.59 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.287 -0.725 . . . . 15.0 111.287 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -119.91 139.76 51.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.082 0.468 . . . . 15.0 111.213 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.69 -28.82 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.654 -0.703 . . . . 15.0 112.04 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.3 p -55.55 -28.75 56.71 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -55.92 -36.84 68.15 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.008 -0.277 . . . . 15.0 111.293 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.57 -37.75 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 15.0 111.164 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.2 mt -97.94 134.22 41.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.83 0.348 . . . . 15.0 110.83 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -121.68 21.34 10.85 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.311 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -56.91 -36.34 70.06 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.307 -0.246 . . . . 15.0 111.453 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -90.02 139.87 30.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 15.0 110.996 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -116.29 131.49 56.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.257 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.32 -42.64 99.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.746 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -103.79 111.07 23.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.364 -0.38 . . . . 15.0 110.797 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.22 -41.55 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.516 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -132.2 162.0 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.242 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp -100.72 121.56 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.63 86.11 1.73 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.2 mt -100.5 141.67 33.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.888 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -123.79 132.56 53.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.211 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.37 153.2 52.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 15.0 110.937 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.4 tp -123.86 82.26 55.41 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.865 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.35 -32.15 61.57 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.335 1.357 . . . . 15.0 112.407 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -101.79 129.22 47.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 15.0 110.731 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 149.74 41.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.288 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -124.11 127.01 47.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.885 0.374 . . . . 15.0 110.227 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -61.14 -38.27 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.6 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.64 -32.47 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.885 -0.326 . . . . 15.0 111.567 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.81 82.88 17.29 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 110.258 -0.275 . . . . 15.0 110.258 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.07 86.1 1.69 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.498 1.465 . . . . 15.0 112.107 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.1 mt -95.53 134.99 37.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.578 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.4 tp -106.5 128.69 54.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.293 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -102.98 -46.66 1.44 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.986 -0.846 . . . . 15.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 m -63.33 153.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 15.0 110.585 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.65 78.98 74.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.345 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.64 108.05 0.22 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.384 1.389 . . . . 15.0 111.838 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.82 -38.89 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -117.11 134.46 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.086 -0.339 . . . . 15.0 110.086 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -104.09 147.53 27.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.403 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.26 153.02 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.647 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -141.24 169.21 25.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.894 -0.882 . . . . 15.0 110.894 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -140.36 161.23 26.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.973 -0.851 . . . . 15.0 110.973 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.83 140.26 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 15.0 110.486 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.38 144.36 37.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.229 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.43 -38.98 0.96 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -115.19 138.43 50.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 15.0 110.544 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.3 m -112.44 129.94 56.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.634 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.09 -36.51 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 15.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -55.91 110.61 2.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.985 -0.846 . . . . 15.0 110.985 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.7 p -62.87 -31.3 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.902 0.334 . . . . 15.0 111.902 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.2 -40.61 75.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.329 -0.708 . . . . 15.0 111.329 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.3 m -61.5 -34.95 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.26 . . . . 15.0 111.55 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.33 -27.34 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -49.98 124.16 9.51 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.308 0.575 . . . . 15.0 112.224 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.35 -35.07 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.302 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -54.6 -33.98 61.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.747 -0.206 . . . . 15.0 111.408 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.27 -41.73 72.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.726 0.298 . . . . 15.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.98 -1.01 . . . . 15.0 110.542 179.536 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -55.82 -37.07 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.51 -123.84 25.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.887 -0.885 . . . . 15.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.61 142.7 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 15.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -109.47 26.45 10.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.177 0.436 . . . . 15.0 112.177 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -65.38 -27.48 68.59 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -53.91 -37.03 63.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.684 0.278 . . . . 15.0 111.337 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -56.62 -38.18 71.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.996 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.18 -39.1 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.301 . . . . 15.0 110.814 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.38 80.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.442 -0.663 . . . . 15.0 111.442 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t -56.7 -34.05 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.852 -0.205 . . . . 15.0 111.541 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.89 -37.22 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.511 0.196 . . . . 15.0 111.253 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -117.78 146.04 44.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 15.0 110.72 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -134.86 122.28 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.231 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.69 -37.11 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.964 -0.562 . . . . 15.0 111.491 -176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -92.79 138.23 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 15.0 110.788 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -70.53 -34.97 72.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 15.0 111.182 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -115.05 135.06 54.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.845 0.355 . . . . 15.0 110.489 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -106.72 115.13 29.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 15.0 110.538 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 p -77.45 -7.63 56.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.2 141.17 40.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.169 0.44 . . . . 15.0 110.712 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -108.79 149.13 29.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.419 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -112.73 168.81 9.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.504 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -143.84 160.99 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.6 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.46 129.95 55.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.82 105.4 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.6 tp -97.57 129.39 44.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.691 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -117.49 135.04 54.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.523 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.52 142.27 34.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.231 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.91 79.59 74.3 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.619 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -82.97 129.74 5.48 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.554 1.502 . . . . 15.0 111.834 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -135.01 156.74 48.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.997 0.427 . . . . 15.0 111.043 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.84 137.09 51.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.233 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -68.48 -40.75 80.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 15.0 110.769 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.6 p -64.76 -32.64 74.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.753 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.33 155.16 19.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.87 0.366 . . . . 15.0 110.891 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 tt -122.12 78.08 42.55 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.128 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -53.71 120.55 8.04 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.381 1.387 . . . . 15.0 112.184 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.73 -36.26 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.182 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.4 -34.96 69.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.617 -0.265 . . . . 15.0 111.33 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -52.48 -33.52 40.54 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.879 -0.488 . . . . 15.0 111.879 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -64.46 149.05 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 15.0 110.444 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.58 82.05 53.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.402 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.84 -23.03 1.46 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.448 1.432 . . . . 15.0 113.047 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.41 133.18 34.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.937 0.398 . . . . 15.0 110.828 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.46 -39.66 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.581 . . . . 15.0 110.433 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.67 -36.16 71.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.482 -0.326 . . . . 15.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.37 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.945 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.17 -176.68 48.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 15.0 110.989 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.94 122.52 0.63 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.023 -0.831 . . . . 15.0 111.023 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.07 135.26 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -104.4 147.95 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.58 -96.37 0.49 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.842 -0.903 . . . . 15.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -54.4 -36.82 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.578 0.228 . . . . 15.0 111.243 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.8 m -55.54 -38.86 69.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 15.0 110.972 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -96.0 101.6 13.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 15.0 110.682 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -59.18 -34.78 81.36 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.77 -0.532 . . . . 15.0 111.77 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -55.13 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.784 -0.245 . . . . 15.0 111.426 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.18 -38.76 68.23 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.268 -0.733 . . . . 15.0 111.268 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.6 p -63.51 -32.66 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.126 -0.23 . . . . 15.0 111.58 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.99 -34.2 74.43 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.537 0.199 . . . . 15.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -54.64 -37.03 65.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.614 0.245 . . . . 15.0 111.237 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.4 mt -98.52 138.66 35.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.589 -0.278 . . . . 15.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -127.33 134.44 49.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 15.0 110.843 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -65.65 -37.89 87.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.092 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.212 -0.899 . . . . 15.0 110.836 -178.879 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -56.66 -39.7 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.772 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.24 40.98 60.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.56 -37.41 83.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.203 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.78 8.5 28.65 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.15 0.796 . . . . 15.0 113.15 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -58.91 -39.69 82.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.021 0.373 . . . . 15.0 111.082 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -58.9 -40.67 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.575 -0.284 . . . . 15.0 111.018 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -87.18 124.93 33.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.912 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 140.56 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.192 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.4 -42.46 0.23 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -118.64 143.82 46.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 15.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -95.81 11.19 34.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -58.73 -35.84 73.33 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.892 0.315 . . . . 15.0 111.428 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -66.96 133.42 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 15.0 110.609 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.2 tp -154.57 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.266 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.85 131.25 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 15.0 110.39 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -62.9 -39.97 96.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.014 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.91 122.48 47.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 15.0 110.742 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -130.52 146.21 52.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.829 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -142.52 160.1 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.084 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -142.98 -57.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.801 -0.36 . . . . 15.0 111.736 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -98.18 117.62 32.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.214 0.53 . . . . 15.0 112.02 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -149.0 147.28 28.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.509 -0.768 . . . . 15.0 109.803 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -110.1 126.86 54.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -88.33 124.2 1.67 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.22 124.1 44.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 15.0 110.501 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.79 -34.93 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.73 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.94 148.4 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 15.0 111.024 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.06 84.48 55.14 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.343 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.53 -23.84 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.519 1.479 . . . . 15.0 113.292 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -107.53 140.53 40.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.796 0.331 . . . . 15.0 110.72 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -92.39 16.59 11.43 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -56.04 -37.59 69.43 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.958 0.345 . . . . 15.0 110.848 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -60.51 133.45 56.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 15.0 111.072 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.2 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.516 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.3 tt -118.29 79.22 14.76 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 110.538 -0.171 . . . . 15.0 110.538 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.58 121.53 10.01 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.422 1.415 . . . . 15.0 112.208 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.4 tt -57.96 -40.2 80.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.559 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.92 -33.91 69.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.351 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.49 -32.37 30.78 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.009 -0.437 . . . . 15.0 112.009 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.0 m -113.28 146.23 39.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.829 0.347 . . . . 15.0 110.363 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.13 85.32 60.85 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.608 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.41 -33.19 80.3 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.28 1.32 . . . . 15.0 111.921 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.94 133.07 40.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.612 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -42.17 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.05 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 142.84 58.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.44 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.54 150.8 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.643 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -110.72 36.21 4.37 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.279 -0.728 . . . . 15.0 111.279 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -102.43 39.51 2.75 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.041 -0.824 . . . . 15.0 111.041 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.52 156.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 15.0 110.609 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.85 149.4 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.666 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.88 33.71 6.11 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.99 -39.17 80.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.691 0.281 . . . . 15.0 110.975 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.9 t -55.75 -40.62 72.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.98 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.3 125.17 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 15.0 110.598 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.84 -38.06 86.99 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.278 -0.729 . . . . 15.0 111.278 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.2 m -58.0 -39.65 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.668 0.27 . . . . 15.0 110.854 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.13 36.66 64.01 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.41 -0.676 . . . . 15.0 111.41 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -58.2 -38.24 76.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.642 0.258 . . . . 15.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.39 -35.17 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.372 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.99 -37.45 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.629 0.252 . . . . 15.0 111.24 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 27.7 tp -96.09 127.06 41.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 15.0 110.575 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.62 -41.0 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.042 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -95.66 132.39 40.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 15.0 110.647 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.502 -179.927 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -100.79 118.82 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.592 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.01 -177.5 50.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.986 -0.845 . . . . 15.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -156.45 69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.491 0.662 . . . . 15.0 110.454 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -56.97 -38.44 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.994 179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -74.42 121.23 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 15.0 110.742 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -115.53 -49.08 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.621 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -58.7 -38.98 79.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.873 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.09 -41.9 84.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 15.0 110.389 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.37 32.0 57.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.262 -0.494 . . . . 15.0 111.948 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 t -143.87 130.27 19.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.019 0.409 . . . . 15.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -63.88 -36.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.128 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -116.39 135.35 53.93 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.047 0.451 . . . . 15.0 111.191 -177.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -63.92 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.801 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 tp -92.18 126.25 37.19 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.31 133.26 46.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.967 0.413 . . . . 15.0 111.107 -177.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.1 m -63.38 -34.61 78.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.284 176.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -51.69 -31.49 26.18 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -52.08 -36.83 51.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.625 0.25 . . . . 15.0 111.519 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 p -72.68 132.3 43.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 15.0 110.542 178.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.19 -36.42 77.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.286 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.5 133.93 40.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 15.0 110.743 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -91.33 10.08 28.89 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.079 0.77 . . . . 15.0 113.079 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -127.39 122.91 34.9 Favored 'General case' 0 C--O 1.231 0.102 0 O-C-N 122.049 -0.407 . . . . 15.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -107.65 131.75 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.283 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -87.71 126.17 2.13 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.4 tp -58.91 -38.52 79.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -86.11 123.06 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 15.0 110.637 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 15.0 111.326 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.81 87.07 42.07 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.793 -0.185 . . . . 15.0 111.102 -176.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.48 156.44 14.17 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.205 1.27 . . . . 15.0 111.617 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -134.95 150.18 50.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.442 . . . . 15.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -103.75 22.97 13.51 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.956 -0.565 . . . . 15.0 112.393 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -56.2 -39.9 73.16 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.716 0.293 . . . . 15.0 110.854 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.5 p -59.21 -31.27 68.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.644 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 147.19 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.889 0.376 . . . . 15.0 110.567 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.61 86.37 52.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.44 -179.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.04 118.99 5.91 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.317 1.345 . . . . 15.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.75 -34.38 72.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.556 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.58 138.73 37.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 15.0 110.689 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.49 168.42 28.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.882 -0.887 . . . . 15.0 110.882 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -142.53 156.11 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 15.0 110.489 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.14 88.08 5.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.611 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -46.04 -58.82 1.45 Allowed 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.582 1.521 . . . . 15.0 112.554 179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.73 134.34 41.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.293 178.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.94 132.85 70.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.153 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 15.0 111.072 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.02 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.324 . . . . 15.0 111.518 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.92 -120.76 8.16 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.847 -0.901 . . . . 15.0 110.847 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.86 135.25 51.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.865 . . . . 15.0 110.936 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.42 132.87 69.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 15.0 110.269 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -102.89 127.85 49.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.311 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.27 -38.72 95.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -118.03 130.88 56.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 15.0 110.572 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.642 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.57 126.31 52.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.613 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.7 -38.25 87.2 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.0 p -70.87 161.94 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 15.0 110.441 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 76.77 39.24 29.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.01 -0.836 . . . . 15.0 111.01 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.4 p -110.41 136.87 48.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.979 0.418 . . . . 15.0 110.866 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.64 -33.86 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.605 . . . . 15.0 111.676 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -79.52 9.22 5.13 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.25 0.833 . . . . 15.0 113.25 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 tp -104.29 130.95 52.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 118.082 0.401 . . . . 15.0 110.325 178.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -106.82 132.32 52.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.85 -37.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.015 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.745 -179.869 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.472 -0.566 . . . . 15.0 109.472 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.56 149.45 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.38 -11.37 59.89 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 121.196 -0.525 . . . . 15.0 113.238 -179.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -34.19 74.63 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.903 0.852 . . . . 15.0 111.406 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.16 -35.39 62.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.541 0.21 . . . . 15.0 111.446 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -98.73 122.55 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 15.0 110.686 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -160.01 26.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 15.0 112.186 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -61.14 -37.66 83.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.641 0.258 . . . . 15.0 111.144 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.51 -39.03 75.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 15.0 110.862 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.49 140.67 29.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.168 -0.773 . . . . 15.0 111.168 -179.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.6 p -146.1 161.38 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 15.0 110.417 179.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -143.67 90.83 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.926 0.393 . . . . 15.0 110.665 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -60.08 -31.93 70.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.879 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -54.05 -34.5 60.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.599 0.222 . . . . 15.0 111.599 -177.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.17 134.97 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.422 . . . . 15.0 110.847 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.35 134.72 47.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 15.0 109.858 178.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -95.41 23.59 5.82 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.566 0.58 . . . . 15.0 112.566 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -131.89 125.59 32.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.89 0.376 . . . . 15.0 110.583 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -111.35 126.92 55.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.506 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 t -112.94 137.59 51.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -135.58 137.04 41.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.708 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -108.07 126.32 52.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.193 177.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.74 -38.11 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 15.0 111.333 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.5 ptt-85 -148.98 161.04 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.1 -176.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.12 133.53 51.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.961 -176.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.79 66.8 2.82 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.5 tp -99.17 130.69 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.649 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -124.91 143.48 50.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -121.34 138.95 54.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.022 177.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.0 tp -129.78 79.55 73.19 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.354 -0.384 . . . . 15.0 110.819 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.75 127.92 28.16 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.323 1.349 . . . . 15.0 111.527 177.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -136.72 162.32 33.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.397 . . . . 15.0 110.913 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -160.05 65.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.461 0.648 . . . . 15.0 109.966 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -117.51 132.04 56.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.744 -178.795 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.7 p -64.34 -30.66 71.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.75 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.86 68.83 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.703 0.26 . . . . 15.0 111.703 -178.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 tp -114.11 85.49 10.3 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 110.603 -0.147 . . . . 15.0 110.603 -178.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -82.28 110.51 2.0 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.463 1.442 . . . . 15.0 111.889 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.7 tt -100.66 127.85 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.566 -178.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.22 130.36 45.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.11 40.04 2.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.9 t -114.42 142.31 46.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.871 0.367 . . . . 15.0 110.501 -179.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.4 83.06 65.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.43 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -47.42 -31.35 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.476 1.451 . . . . 15.0 112.451 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.6 tp -98.31 130.44 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.535 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.57 134.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.09 -179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.99 149.15 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.507 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.39 152.06 44.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.575 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -112.33 34.39 5.19 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.617 -0.593 . . . . 15.0 111.617 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.91 -34.98 66.4 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.614 -0.595 . . . . 15.0 111.614 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.96 -33.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.53 75.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.628 0.251 . . . . 15.0 110.913 -177.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.55 44.86 62.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.944 -0.862 . . . . 15.0 110.944 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -53.86 -38.08 64.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.666 0.269 . . . . 15.0 111.35 -178.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 m -57.3 -41.51 79.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.482 -0.326 . . . . 15.0 110.754 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.28 -40.51 82.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.97 30.9 62.64 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.226 -0.511 . . . . 15.0 112.01 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.68 82.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.967 0.383 . . . . 15.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.4 144.96 46.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.207 -0.757 . . . . 15.0 111.207 -178.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.3 m -121.01 137.98 54.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 15.0 110.61 179.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.63 -37.19 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.296 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -101.35 101.59 12.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 15.0 110.666 -178.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.88 -35.94 82.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.323 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -120.55 143.21 48.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.971 0.415 . . . . 15.0 111.117 -177.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -76.27 -31.46 58.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.725 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.125 -0.941 . . . . 15.0 111.11 -179.108 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.12 -36.74 68.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.157 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.84 -34.57 57.25 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.695 -0.562 . . . . 15.0 111.695 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.21 -35.69 74.06 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.788 -0.243 . . . . 15.0 111.234 -179.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -103.45 126.85 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.733 0.301 . . . . 15.0 110.651 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -120.11 31.46 6.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.761 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -59.29 -36.85 76.33 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.135 -0.226 . . . . 15.0 111.28 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -82.03 118.25 22.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 15.0 110.69 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.35 -35.46 81.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.361 178.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.17 -34.22 46.88 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.836 -0.506 . . . . 15.0 111.836 -177.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -117.19 145.53 43.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 15.0 110.704 -178.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -145.18 92.01 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.281 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.1 p -61.04 -32.35 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 15.0 111.804 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -119.14 133.79 55.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.921 0.391 . . . . 15.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.39 -36.51 84.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.25 178.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.66 143.07 27.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 15.0 110.671 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -134.32 151.29 51.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.83 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -104.68 22.19 15.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.073 -0.512 . . . . 15.0 112.33 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -55.18 -37.27 66.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.571 0.224 . . . . 15.0 111.115 -179.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -117.12 147.28 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -126.19 135.69 51.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.625 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -116.22 149.7 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.382 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -134.49 120.3 19.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 15.0 111.079 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -128.8 152.01 48.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.939 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.8 122.64 46.16 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.859 -0.337 . . . . 15.0 110.559 -178.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -94.22 46.52 0.25 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.16 120.73 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 15.0 110.579 -178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -142.35 132.24 24.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.635 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -102.41 144.72 30.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.647 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.85 86.13 58.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.309 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.59 42.59 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.609 1.54 . . . . 15.0 112.492 -179.37 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.61 126.26 49.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 15.0 110.152 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.62 -36.4 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 15.0 111.437 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -88.92 133.08 34.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 15.0 110.552 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.2 p -121.38 139.87 52.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.9 72.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.428 177.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.32 102.41 18.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-O 119.033 -0.508 . . . . 15.0 110.457 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -43.22 -25.34 0.66 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.657 1.571 . . . . 15.0 113.369 177.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.9 tp -94.03 125.86 38.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.74 0.305 . . . . 15.0 110.229 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.75 -40.43 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.813 -178.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.06 -65.54 4.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -118.73 151.05 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 15.0 110.403 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -120.64 84.46 36.94 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.504 -179.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.14 123.43 8.3 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.366 1.377 . . . . 15.0 112.058 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.95 -37.99 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.87 135.34 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 15.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.6 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.652 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -148.21 152.59 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.85 -47.65 0.13 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.82 -0.912 . . . . 15.0 110.82 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.26 -37.21 3.49 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.296 -0.721 . . . . 15.0 111.296 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.82 132.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.4 95.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.758 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.95 60.77 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.542 -0.623 . . . . 15.0 111.542 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.98 -38.22 78.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.692 0.282 . . . . 15.0 111.058 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.2 m -54.89 -39.6 68.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.04 -177.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.57 151.33 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 15.0 110.509 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.83 20.81 49.23 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 121.241 -0.504 . . . . 15.0 112.701 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.4 p -64.52 -33.69 76.48 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 117.553 0.677 . . . . 15.0 111.61 179.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.63 144.2 31.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.194 -0.762 . . . . 15.0 111.194 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -131.36 140.69 49.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.719 0.295 . . . . 15.0 110.35 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.0 143.47 44.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.399 . . . . 15.0 110.601 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.25 4.36 48.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.122 0.786 . . . . 15.0 113.122 178.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.56 -37.06 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.187 0.448 . . . . 15.0 111.064 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.97 144.81 43.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.793 0.33 . . . . 15.0 110.503 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.21 161.16 35.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.444 -179.591 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.644 0.259 . . . . 1.76 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 1.29 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.40999999999999998 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 0.22 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 0.17999999999999999 110.926 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 2.9100000000000001 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.34999999999999998 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.32000000000000001 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.42999999999999999 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 0.40000000000000002 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 0.41999999999999998 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 0.35999999999999999 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79000000000000004 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 1.6399999999999999 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.27000000000000002 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.1299999999999999 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.48999999999999999 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 1.8500000000000001 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.1499999999999999 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.40999999999999998 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.1299999999999999 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 0.28999999999999998 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.28999999999999998 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 0.27000000000000002 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.20000000000000001 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.68999999999999995 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.14999999999999999 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 0.17999999999999999 111.499 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.14999999999999999 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 1.8300000000000001 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.32000000000000001 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 0.31 111.486 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32000000000000001 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.44 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.47999999999999998 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.52000000000000002 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.35999999999999999 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 0.34000000000000002 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 1.8200000000000001 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.1499999999999999 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 0.25 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 0.20999999999999999 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.25 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.20999999999999999 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.20999999999999999 110.81 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.24 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' HD21 ' A' ' 67' ' ' LEU . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 0.22 109.353 175.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 94' ' ' LEU . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 0.20999999999999999 110.103 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.37 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.556 ' HD2' HD13 ' A' ' 90' ' ' LEU . 90.1 Cg_endo . . . . . 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.68999999999999995 112.231 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.667 0.27 . . . . 15.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.425 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD21 ' CE2' ' A' ' 65' ' ' TYR . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 67' ' ' LEU . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 94' ' ' LEU . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.5 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 56.2 Cg_endo . . . . . 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.23 0.076 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 76' ' ' LEU . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 101' ' ' MET . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 65' ' ' TYR . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.448 ' O ' HG21 ' A' ' 73' ' ' VAL . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.492 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.2 Cg_endo . . . . . 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 65' ' ' TYR . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.445 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 90' ' ' LEU . 88.0 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.739 0.304 . . . . 15.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.449 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.449 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 HD11 ' A' ' 110' ' ' ILE . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 111' ' ' ILE . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HD21 ' A' ' 67' ' ' LEU . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 94' ' ' LEU . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 90' ' ' LEU . 72.4 Cg_endo . . . . . 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.621 0.248 . . . . 15.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 110' ' ' ILE . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 101' ' ' MET . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 65' ' ' TYR . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.441 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.459 ' O ' HG21 ' A' ' 73' ' ' VAL . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 67' ' ' LEU . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.418 ' HD2' HD13 ' A' ' 90' ' ' LEU . 70.9 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.775 0.322 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HD2' ' A' ' 113' ' ' PRO . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' HD13 ' A' ' 90' ' ' LEU . 58.3 Cg_endo . . . . . 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 N--CA 1.46 0.072 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 76' ' ' LEU . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' A' ' 65' ' ' TYR . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 111' ' ' ILE . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.608 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.1 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 110.073 -0.343 . . . . 15.0 110.073 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.64 ' OE2' HD13 ' A' ' 76' ' ' LEU . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' OE2' ' A' ' 71' ' ' GLU . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' OE1' HD12 ' A' ' 82' ' ' ILE . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' OE1' ' A' ' 80' ' ' GLN . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 113' ' ' PRO . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HD13 ' A' ' 90' ' ' LEU . 85.3 Cg_endo . . . . . 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.23 0.072 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 76' ' ' LEU . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 108' ' ' GLN . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 110.047 -0.353 . . . . 15.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.48 ' CE2' HD13 ' A' ' 76' ' ' LEU . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.48 HD13 ' CE2' ' A' ' 65' ' ' TYR . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 94' ' ' LEU . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.414 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.1 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 63' ' ' LEU . 7.7 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.634 0.254 . . . . 15.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CE2' HD21 ' A' ' 76' ' ' LEU . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 65' ' ' TYR . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 76' ' ' LEU . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 65' ' ' TYR . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' HD13 ' A' ' 90' ' ' LEU . 92.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 63' ' ' LEU . 8.3 tt . . . . . 0 N--CA 1.461 0.075 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 76' ' ' LEU . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.638 HD11 HD12 ' A' ' 111' ' ' ILE . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.487 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.423 HD11 HD21 ' A' ' 67' ' ' LEU . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 94' ' ' LEU . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.5 Cg_endo . . . . . 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.709 0.29 . . . . 15.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 110' ' ' ILE . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 65' ' ' TYR . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.691 HD11 HD12 ' A' ' 111' ' ' ILE . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 67' ' ' LEU . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.691 HD12 HD11 ' A' ' 94' ' ' LEU . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.1 Cg_endo . . . . . 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.438 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 94' ' ' LEU . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 90' ' ' LEU . 59.9 Cg_endo . . . . . 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 90' ' ' LEU . 95.9 Cg_endo . . . . . 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 110.283 -0.266 . . . . 15.0 110.283 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 87' ' ' ILE . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 77' ' ' SER . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD12 ' OD1' ' A' ' 91' ' ' ASN . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.504 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' A' ' 90' ' ' LEU . 97.3 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.756 0.312 . . . . 15.0 110.961 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD21 HD11 ' A' ' 110' ' ' ILE . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.512 HE22 HD11 ' A' ' 112' ' ' LEU . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 113' ' ' PRO . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.635 HD11 HD21 ' A' ' 67' ' ' LEU . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.512 HD11 HE22 ' A' ' 80' ' ' GLN . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.4 Cg_endo . . . . . 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.711 0.291 . . . . 15.0 110.559 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 76' ' ' LEU . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 111' ' ' ILE . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 67' ' ' LEU . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.419 HD12 HD11 ' A' ' 94' ' ' LEU . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 90' ' ' LEU . 76.1 Cg_endo . . . . . 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 26.969999999999999 109.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.56 125.78 51.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 26.059999999999999 110.679 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.25 77.26 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.427 -0.669 . . . . 24.620000000000001 111.427 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.08 -33.75 72.51 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.79 -0.241 . . . . 23.579999999999998 111.479 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -54.37 -37.71 65.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.625 0.25 . . . . 24.170000000000002 111.202 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -110.93 131.47 55.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 22.280000000000001 110.338 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -103.2 130.7 50.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 21.309999999999999 110.675 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -103.34 129.99 50.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 22.66 110.574 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.88 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 21.5 111.0 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.43 144.23 17.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.878 -0.889 . . . . 19.039999999999999 110.878 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 t -124.22 132.21 53.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 17.77 110.546 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.95 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 17.420000000000002 110.996 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -58.53 -38.02 76.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 15.74 111.115 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -86.11 129.37 34.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.733 0.301 . . . . 16.489999999999998 110.745 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -101.91 130.4 48.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 15.52 110.355 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.79 -37.6 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 13.92 111.26 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -58.4 -44.67 89.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.288 . . . . 12.289999999999999 111.105 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -60.47 -37.47 81.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 11.529999999999999 111.257 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.1 -38.33 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.595 -0.275 . . . . 9.7599999999999998 111.18 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -61.12 -35.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.508 -0.315 . . . . 7.0099999999999998 111.387 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.33 -41.48 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 8.3699999999999992 110.825 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.49 -36.58 78.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 7.2800000000000002 111.368 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -56.13 -41.43 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.067 -0.253 . . . . 3.3799999999999999 111.154 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -136.43 132.31 35.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.313 . . . . 3.5800000000000001 110.831 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp -115.34 126.2 54.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.293 -0.412 . . . . 1.76 110.467 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 1.29 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.40999999999999998 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 0.22 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 0.17999999999999999 110.926 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 2.9100000000000001 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.34999999999999998 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.32000000000000001 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.42999999999999999 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 0.40000000000000002 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 0.41999999999999998 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 0.35999999999999999 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79000000000000004 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 1.6399999999999999 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.27000000000000002 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.1299999999999999 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.48999999999999999 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 1.8500000000000001 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.1499999999999999 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.40999999999999998 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.1299999999999999 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 0.28999999999999998 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.28999999999999998 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 0.27000000000000002 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.20000000000000001 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.68999999999999995 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.14999999999999999 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 0.17999999999999999 111.499 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.14999999999999999 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 1.8300000000000001 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.32000000000000001 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 0.31 111.486 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32000000000000001 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.44 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.47999999999999998 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.52000000000000002 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.35999999999999999 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 0.34000000000000002 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 1.8200000000000001 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.1499999999999999 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 0.25 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 0.20999999999999999 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.25 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.20999999999999999 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.20999999999999999 110.81 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.24 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' HD21 ' A' ' 67' ' ' LEU . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 0.22 109.353 175.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 94' ' ' LEU . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 0.20999999999999999 110.103 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.37 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.556 ' HD2' HD13 ' A' ' 90' ' ' LEU . 90.1 Cg_endo -92.86 113.13 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.68999999999999995 112.231 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.19 138.33 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.368 . . . . 3.0 110.545 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -120.55 142.36 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 5.0499999999999998 110.521 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -113.39 141.76 46.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 6.8300000000000001 110.524 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 83.82 65.03 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.126 -0.488 . . . . 7.2000000000000002 110.27 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.79 -35.92 14.96 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.248 1.299 . . . . 9.3300000000000001 112.021 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -105.55 130.65 53.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 10.640000000000001 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.18 -35.19 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 13.77 111.311 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -93.26 135.61 34.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.728 0.299 . . . . 14.699999999999999 110.474 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -111.57 134.97 52.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.983 0.42 . . . . 15.01 110.665 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -33.57 75.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.576 . . . . 14.59 111.602 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 mt -118.96 86.5 31.48 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.802 -0.181 . . . . 15.710000000000001 110.838 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -83.22 124.94 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.586 1.524 . . . . 16.030000000000001 111.895 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 27.7 tp -99.39 129.38 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 17.48 110.734 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.2 tp -105.25 140.09 38.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.554 . . . . 18.559999999999999 110.377 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.15 44.28 3.84 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.092 -0.803 . . . . 18.390000000000001 111.092 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m -56.72 -34.86 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.469 0.176 . . . . 19.850000000000001 111.36 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.57 85.81 27.55 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.846 -0.161 . . . . 20.039999999999999 110.577 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -71.0 -27.26 20.8 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.346 1.364 . . . . 21.07 112.655 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.78 -35.99 69.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.602 -0.272 . . . . 21.43 111.161 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.7 t -106.6 131.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.927 0.394 . . . . 22.260000000000002 110.136 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.04 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 23.379999999999999 111.146 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -59.26 146.5 39.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.781 0.324 . . . . 24.07 110.442 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.94 -173.92 25.99 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.969 -0.852 . . . . 25.52 110.969 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.61 -123.95 17.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.921 -0.872 . . . . 26.98 110.921 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.8 130.4 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 27.27 110.616 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.71 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 28.489999999999998 110.785 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.65 -2.57 60.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 121.205 -0.521 . . . . 29.789999999999999 113.509 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -54.17 -34.75 61.2 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.11 0.955 . . . . 31.039999999999999 111.387 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.8 t -120.93 149.58 42.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.946 0.403 . . . . 32.950000000000003 110.905 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -117.19 154.6 30.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.640000000000001 110.406 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.81 35.08 29.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.571 -0.611 . . . . 34.939999999999998 111.571 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.5 m -58.98 -37.3 76.5 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.741 -0.27 . . . . 36.030000000000001 111.133 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.34 -35.13 64.56 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.738 -0.545 . . . . 36.109999999999999 111.738 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.5 p -59.19 -33.16 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.956 -0.297 . . . . 36.649999999999999 111.593 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -104.5 130.05 52.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.773 0.321 . . . . 37.020000000000003 110.551 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -60.61 -41.19 94.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 37.369999999999997 110.717 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.8 mt -108.49 132.69 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 38.729999999999997 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.2 -42.28 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 41.030000000000001 110.429 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -61.02 -38.98 88.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 40.719999999999999 111.026 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.011 -0.995 . . . . 42.060000000000002 110.603 -179.084 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -87.65 10.73 17.12 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.82 126.92 2.99 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.015 -0.834 . . . . 15.0 111.015 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.32 -36.36 75.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.595 0.236 . . . . 15.0 111.19 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -55.33 -36.78 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.671 -0.24 . . . . 15.0 111.173 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -108.41 126.27 52.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.802 0.335 . . . . 15.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -142.59 150.87 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 15.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.12 17.43 24.09 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.623 0.601 . . . . 15.0 112.623 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.98 149.9 21.29 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.787 0.327 . . . . 15.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.81 37.09 10.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.519 -0.633 . . . . 15.0 111.519 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -120.2 131.86 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.35 . . . . 15.0 110.432 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -62.89 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.967 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.0 p -62.45 -31.77 72.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.835 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.85 -39.34 77.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.624 0.25 . . . . 15.0 110.896 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -100.83 125.91 47.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.407 . . . . 15.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.04 -33.4 75.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.897 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -122.64 151.96 40.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.927 0.394 . . . . 15.0 111.265 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.18 132.3 54.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.3 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -66.75 -30.28 70.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 15.0 112.081 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.8 t -81.86 140.18 34.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 15.0 110.896 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -149.18 -42.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.492 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.07 124.08 50.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.197 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -57.37 -40.95 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.27 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -130.3 146.27 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.548 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt -100.76 129.03 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.962 -0.295 . . . . 15.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.425 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD21 ' CE2' ' A' ' 65' ' ' TYR . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 67' ' ' LEU . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 94' ' ' LEU . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.5 Cg_endo -81.56 97.58 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.7 -37.37 73.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.18 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 15.0 110.792 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -110.96 152.47 26.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.375 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.18 85.69 51.47 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.23 -36.21 16.63 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.493 1.462 . . . . 15.0 112.674 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -105.78 125.06 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.709 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.28 137.52 55.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 15.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.6 t -135.82 146.16 47.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.41 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.98 152.77 43.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 mt -127.83 82.64 67.99 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.389 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.63 -52.87 7.33 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.454 1.436 . . . . 15.0 112.317 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.3 tp -99.78 129.73 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.536 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.0 tp -101.16 128.35 47.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.345 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.35 122.36 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.899 -0.88 . . . . 15.0 110.899 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -58.61 -35.87 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.225 -0.19 . . . . 15.0 111.366 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -84.88 112.71 44.93 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 118.692 -0.67 . . . . 15.0 110.503 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 134' ' ' ALA . 85.4 Cg_endo -88.04 113.27 0.8 Allowed 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.462 1.442 . . . . 15.0 112.172 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.61 -38.05 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.048 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.19 -40.54 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.399 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.448 ' HB3' ' HG2' ' A' ' 131' ' ' PRO . . . -98.74 151.14 21.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 15.0 110.747 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -135.93 149.27 48.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.662 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -108.33 38.28 3.4 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.159 -0.776 . . . . 15.0 111.159 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.71 -35.03 56.95 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.574 -0.61 . . . . 15.0 111.574 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.17 133.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 15.0 110.096 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.24 142.29 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.556 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -98.17 31.38 8.05 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.036 -0.602 . . . . 15.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -119.9 130.67 54.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.993 0.396 . . . . 15.0 110.43 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -61.45 -39.34 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.885 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.66 165.42 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.391 . . . . 15.0 110.951 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.13 30.49 50.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.991 -0.549 . . . . 15.0 112.072 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -64.32 -33.06 74.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.957 0.378 . . . . 15.0 111.555 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -84.77 169.43 44.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.179 -0.768 . . . . 15.0 111.179 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.5 t -144.81 131.37 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 15.0 110.651 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.25 -35.9 82.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.244 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -54.08 -34.66 60.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.456 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.0 tp -55.31 -38.29 68.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.637 0.256 . . . . 15.0 111.007 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -108.24 131.96 54.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.357 . . . . 15.0 110.474 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -102.84 132.35 49.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.023 -0.989 . . . . 15.0 110.554 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.454 -0.573 . . . . 15.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.75 -36.76 67.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.65 107.47 1.87 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.107 -0.797 . . . . 15.0 111.107 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.44 -34.29 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 15.0 111.431 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.11 -35.7 62.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.766 -0.197 . . . . 15.0 111.458 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -82.11 106.31 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -69.99 -42.16 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.879 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.76 129.86 41.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 15.0 110.894 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.2 tp -105.77 129.96 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.57 -43.38 0.24 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 15.0 111.106 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -118.09 139.88 50.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.963 0.411 . . . . 15.0 110.726 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -147.41 -38.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.959 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -36.35 74.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.261 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -56.94 -39.98 75.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.631 0.253 . . . . 15.0 110.748 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.46 -35.72 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.319 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.48 -35.18 71.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.681 -0.236 . . . . 15.0 111.442 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -117.13 158.4 24.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.895 0.379 . . . . 15.0 110.949 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -130.0 138.66 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.369 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -111.57 123.42 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -146.69 146.04 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.532 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -130.28 138.51 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.05 148.86 41.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.536 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -146.33 169.32 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -128.43 149.1 50.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.263 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp -106.1 128.29 53.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 56.2 Cg_endo -74.08 110.96 3.19 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.5 tp -101.47 128.05 47.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.46 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -106.27 123.02 47.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.372 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -61.58 -35.56 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.268 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 117' ' ' LEU . 4.7 tt -118.55 82.48 19.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.791 -0.186 . . . . 15.0 110.66 -177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.39 109.55 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.326 1.351 . . . . 15.0 111.86 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -102.0 125.56 48.71 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.91 -0.404 . . . . 15.0 109.91 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.81 -36.42 81.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.904 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -107.68 143.12 36.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 15.0 111.288 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.8 p -113.95 138.69 50.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.297 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.72 -34.99 70.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.608 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.8 mt -120.99 87.76 43.9 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.728 -0.215 . . . . 15.0 111.069 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 109.96 1.71 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.255 1.303 . . . . 15.0 111.729 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.52 -36.1 73.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.254 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.89 -38.34 70.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.622 0.249 . . . . 15.0 111.002 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.92 149.0 51.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.08 -0.808 . . . . 15.0 111.08 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.0 p -135.21 157.18 47.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 15.0 110.501 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.76 83.33 66.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.584 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -76.59 114.97 3.97 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.363 1.375 . . . . 15.0 112.039 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.8 mt -96.74 134.22 40.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.71 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.24 -40.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.346 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.18 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.287 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.36 144.34 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 15.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 178.76 -116.39 0.53 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 78.27 38.89 24.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.58 133.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.875 0.369 . . . . 15.0 110.016 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -106.49 148.42 28.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.06 -54.14 0.44 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.089 -0.805 . . . . 15.0 111.089 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -55.49 -38.64 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 15.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 142' ' ' THR . 9.9 t -69.33 122.3 18.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 15.0 110.879 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.2 -33.98 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.525 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.43 60.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.548 -0.621 . . . . 15.0 111.548 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.5 p -61.97 -34.35 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 15.0 111.466 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.36 121.84 21.68 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.039 -0.824 . . . . 15.0 111.039 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -59.67 -37.2 78.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.617 0.246 . . . . 15.0 111.121 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -99.43 138.42 36.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 15.0 110.643 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -117.21 129.6 56.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 15.0 110.833 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.449 HD23 ' C ' ' A' ' 150' ' ' LEU . 9.3 tt -60.56 -40.29 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.76 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -116.79 130.13 56.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 15.0 110.722 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.3 -45.6 83.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 15.0 111.317 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.93 -177.486 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.343 -0.614 . . . . 15.0 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.36 -37.92 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.075 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.62 -35.62 3.9 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.514 -0.635 . . . . 15.0 111.514 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.85 -31.54 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.738 0.273 . . . . 15.0 111.738 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.3 -34.82 48.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.606 0.225 . . . . 15.0 111.606 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -112.04 120.27 41.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.897 0.38 . . . . 15.0 110.516 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -88.2 -14.44 38.55 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.01 -41.97 75.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 117.96 0.346 . . . . 15.0 110.881 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.6 mp -107.97 147.84 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.473 -0.331 . . . . 15.0 110.593 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.02 52.29 3.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.489 -0.645 . . . . 15.0 111.489 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.1 m -117.98 133.39 55.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 15.0 110.465 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.75 -39.16 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.208 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -65.06 147.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 15.0 111.09 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -103.39 23.38 12.63 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.884 -0.598 . . . . 15.0 112.118 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.74 -35.22 70.41 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.348 -0.22 . . . . 15.0 111.254 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.25 -34.68 61.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 15.0 111.426 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -112.6 150.64 31.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.899 0.38 . . . . 15.0 110.526 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -160.05 -41.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.636 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.68 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.327 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -107.18 148.0 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 15.0 110.857 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -143.59 158.48 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.563 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -135.72 121.19 19.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.507 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -160.09 -67.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.378 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -129.18 147.54 51.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.274 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -102.53 123.22 45.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.512 -0.313 . . . . 15.0 110.193 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 76' ' ' LEU . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 101' ' ' MET . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 65' ' ' TYR . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.448 ' O ' HG21 ' A' ' 73' ' ' VAL . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.492 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.2 Cg_endo -90.41 107.42 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.6 137.85 37.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.28 8.85 33.95 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.083 0.772 . . . . 15.0 113.083 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -58.08 -34.71 70.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.05 0.386 . . . . 15.0 111.446 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.95 88.88 2.1 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-O 119.619 -0.229 . . . . 15.0 110.616 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.72 163.51 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.19 1.26 . . . . 15.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -137.59 160.14 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.771 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -140.81 -51.38 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.492 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -60.58 -40.65 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 15.0 110.847 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.8 m -57.06 -35.86 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.369 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 142.3 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 15.0 110.466 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.458 HD23 ' C ' ' A' ' 124' ' ' LEU . 5.0 tt -128.96 80.35 72.95 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.623 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.22 105.74 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.274 1.316 . . . . 15.0 111.804 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 25.3 tp -98.66 126.29 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.459 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.54 -38.67 88.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.49 142.13 43.42 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.6 m -122.34 149.43 43.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 15.0 110.629 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.72 82.45 54.54 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.228 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.64 91.9 1.12 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.479 1.453 . . . . 15.0 112.353 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.51 -37.72 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.09 -38.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 15.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.16 -31.78 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.633 0.234 . . . . 15.0 111.633 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.96 125.31 23.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 15.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.03 -34.96 91.38 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.571 -0.612 . . . . 15.0 111.571 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.79 -35.13 46.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.769 -0.532 . . . . 15.0 111.769 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -115.24 133.89 60.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.12 155.24 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.752 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.36 122.64 2.24 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -120.14 131.21 54.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.862 0.363 . . . . 15.0 110.361 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.9 m -61.9 -39.34 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.819 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -111.48 160.04 17.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 15.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -137.27 39.56 1.61 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.054 -0.819 . . . . 15.0 111.054 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 m -65.5 155.12 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 15.0 110.75 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.73 31.54 49.14 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.96 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.1 p -62.8 -34.63 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.039 0.42 . . . . 15.0 111.317 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.13 137.51 48.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.796 0.331 . . . . 15.0 110.567 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.17 124.66 50.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.358 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.43 -37.01 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -57.5 -40.82 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.71 0.291 . . . . 15.0 110.739 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -100.76 131.69 46.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.597 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.995 -1.002 . . . . 15.0 110.502 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.7 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.96 -37.4 68.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.142 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.4 114.42 2.76 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.963 -0.855 . . . . 15.0 110.963 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -108.17 129.13 55.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.689 0.28 . . . . 15.0 110.523 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -160.0 15.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.915 0.709 . . . . 15.0 112.915 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -67.77 -36.56 80.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 117.941 0.337 . . . . 15.0 111.382 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -59.31 -36.06 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.297 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.3 -40.77 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.683 0.277 . . . . 15.0 110.651 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 47' ' ' LEU . 6.5 mp -64.17 -38.75 92.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -37.82 88.31 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.379 -0.688 . . . . 15.0 111.379 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -58.42 -35.15 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.63 0.253 . . . . 15.0 111.529 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.01 -37.46 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.658 -0.246 . . . . 15.0 111.239 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -118.65 144.99 45.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.923 0.392 . . . . 15.0 111.059 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -128.05 130.12 47.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.288 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.8 tp -109.75 126.81 54.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 15.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 56' ' ' HIS . 7.5 t -60.99 -42.55 98.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.582 -175.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' THR . 39.8 m80 -114.24 135.4 54.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.737 0.304 . . . . 15.0 110.58 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -139.18 103.97 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.718 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -124.47 142.16 51.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.458 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -125.97 134.78 51.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.18 114.52 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.185 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -135.98 142.97 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.811 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -129.36 139.54 51.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.059 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -106.65 124.54 49.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 65' ' ' TYR . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.445 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 90' ' ' LEU . 88.0 Cg_endo -84.63 102.84 0.87 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.19 -38.55 76.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.012 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.68 138.88 37.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 15.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -109.87 135.83 50.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.628 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 119' ' ' PHE . 19.1 tp -102.18 136.07 19.51 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-O 118.868 -0.587 . . . . 15.0 109.477 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -86.98 -28.74 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.504 1.47 . . . . 15.0 112.866 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 117' ' ' LEU . 51.2 p90 -107.38 132.8 52.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.406 . . . . 15.0 110.865 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.0 142.67 45.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.387 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -115.8 128.28 55.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 15.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.6 p -67.35 -26.71 66.62 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.204 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 144.13 21.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.007 0.432 . . . . 15.0 111.221 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.2 mt -126.49 85.87 59.45 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.21 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -60.64 -44.89 23.83 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.355 1.37 . . . . 15.0 112.092 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.57 134.75 36.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 15.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.6 tp -108.88 131.14 55.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.677 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -149.87 117.39 0.85 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.741 -0.943 . . . . 15.0 110.741 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -141.6 158.01 44.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 15.0 110.88 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.89 85.18 60.87 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.965 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.26 -41.43 22.22 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.501 1.468 . . . . 15.0 113.051 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.82 -38.62 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.484 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.5 t -119.61 126.91 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 110.62 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.13 112.39 24.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.5 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.689 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.08 29.13 63.11 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 121.363 -0.446 . . . . 15.0 112.201 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.78 -37.96 93.23 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -117.93 132.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.832 0.349 . . . . 15.0 110.127 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 142' ' ' THR . . . -102.19 129.5 48.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.333 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.25 -29.57 74.88 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 116.292 -0.413 . . . . 15.0 112.419 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -51.46 -38.62 54.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.035 0.383 . . . . 15.0 112.035 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 139' ' ' ALA . 9.3 t -60.47 -38.83 85.49 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.098 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -108.56 119.67 40.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.69 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -104.25 35.7 4.87 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.431 -0.668 . . . . 15.0 111.431 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -61.34 -32.7 72.59 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.758 -0.26 . . . . 15.0 111.654 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.7 67.32 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.511 -0.636 . . . . 15.0 111.511 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.8 p -60.56 -31.98 71.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.12 -36.41 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.592 0.234 . . . . 15.0 111.254 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.47 -36.67 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.661 -0.245 . . . . 15.0 111.335 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.72 -38.86 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 15.0 111.084 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -64.12 -34.09 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.539 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.08 -41.5 75.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.821 0.343 . . . . 15.0 110.802 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.535 179.548 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.111 -0.699 . . . . 15.0 109.111 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -87.56 9.15 22.05 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.184 0.809 . . . . 15.0 113.184 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.44 75.69 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.401 -0.68 . . . . 15.0 111.401 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.12 -34.83 68.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.201 -0.2 . . . . 15.0 111.397 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.75 -37.88 66.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.56 0.219 . . . . 15.0 111.199 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -116.5 130.42 56.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.902 0.382 . . . . 15.0 110.724 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.8 -40.1 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.95 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -55.6 -36.07 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.195 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.24 149.29 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 15.0 110.634 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.19 31.75 18.99 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.014 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.3 p -63.33 -30.75 71.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.893 0.347 . . . . 15.0 111.801 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -55.5 -35.18 65.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.597 0.237 . . . . 15.0 111.596 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -56.07 -29.39 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.082 0.401 . . . . 15.0 112.082 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -72.97 128.04 34.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.407 . . . . 15.0 110.747 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.33 -33.9 76.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.597 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -54.21 -35.62 62.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.541 0.21 . . . . 15.0 111.405 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -55.98 -35.87 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.154 -0.218 . . . . 15.0 111.376 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 15.0 110.744 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -160.0 141.58 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.573 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -120.45 142.8 48.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.348 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -112.52 -37.83 4.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.238 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.17 137.84 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 15.0 111.02 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.26 139.18 49.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.41 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ptt-85 -148.95 155.11 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -109.97 132.06 54.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.642 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.449 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 122.87 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.79 -38.32 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 15.0 110.983 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -87.77 122.54 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 15.0 110.742 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -108.68 26.07 10.98 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.103 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -126.28 81.74 66.81 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 122.337 -0.227 . . . . 15.0 110.683 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.17 120.48 8.26 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.309 1.339 . . . . 15.0 111.814 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -61.42 -37.61 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.097 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.54 142.26 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 15.0 110.532 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -112.83 32.53 5.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.38 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.5 p -61.96 -33.97 75.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.118 -0.233 . . . . 15.0 111.471 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.88 140.57 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 15.0 110.716 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -130.66 81.65 66.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.325 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.4 114.49 1.97 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.376 1.384 . . . . 15.0 112.24 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.5 mt -99.38 135.15 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 15.0 110.682 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.3 mt -103.72 140.13 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.112 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.94 120.45 4.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.766 . . . . 15.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -59.14 -34.48 72.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.558 0.218 . . . . 15.0 111.39 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -113.3 88.15 12.3 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 119.622 -0.228 . . . . 15.0 110.544 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.76 121.0 8.9 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.353 1.369 . . . . 15.0 111.996 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.59 -34.66 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 15.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.8 p -122.7 137.54 55.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 15.0 110.453 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.43 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.188 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.43 86.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.94 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.34 -177.2 48.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.95 -0.86 . . . . 15.0 110.95 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.37 129.75 6.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.38 158.23 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.311 . . . . 15.0 110.315 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.52 153.76 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 15.0 110.665 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.45 41.49 1.41 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.811 -0.916 . . . . 15.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.21 134.67 52.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.899 0.381 . . . . 15.0 110.665 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 59.0 p -67.67 -32.69 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 15.0 111.587 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -65.36 166.58 9.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.801 0.334 . . . . 15.0 110.581 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.87 36.31 22.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.1 m -64.94 155.93 32.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.793 0.33 . . . . 15.0 110.542 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.53 126.62 4.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.969 -0.853 . . . . 15.0 110.969 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -58.85 -36.54 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.545 0.212 . . . . 15.0 111.181 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.06 128.88 38.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 15.0 110.821 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.45 -38.21 89.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 15.0 110.982 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 152' ' ' PHE . 27.0 tp -98.46 127.44 44.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.437 -0.347 . . . . 15.0 110.245 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -62.92 -35.69 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.511 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 150' ' ' LEU . 98.8 m-85 -110.45 147.49 33.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 15.0 110.655 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.537 179.848 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -57.35 -31.8 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.751 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.0 60.53 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.543 -0.623 . . . . 15.0 111.543 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.92 -34.63 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.771 -0.252 . . . . 15.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.86 -37.73 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.592 0.234 . . . . 15.0 111.227 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -114.47 136.34 53.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.827 0.346 . . . . 15.0 110.662 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -134.75 159.54 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.26 125.31 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.294 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.5 -39.6 88.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.894 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 150.84 37.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.13 -0.788 . . . . 15.0 111.13 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -125.51 131.61 52.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.755 0.312 . . . . 15.0 110.433 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -62.81 -39.95 95.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.786 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -39.43 83.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.96 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 15.0 110.622 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.06 -39.06 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.52 -38.11 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 15.0 111.066 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.8 m -77.85 128.18 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 15.0 110.875 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -65.02 -39.86 94.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.984 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -54.34 -34.09 60.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.784 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -56.82 -35.46 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.03 -0.268 . . . . 15.0 111.299 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -65.6 -35.58 81.24 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.17 -0.212 . . . . 15.0 111.333 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -96.74 124.66 40.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.379 . . . . 15.0 110.783 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -135.53 33.28 3.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.533 . . . . 15.0 111.533 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -126.26 147.54 49.67 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.705 0.288 . . . . 15.0 110.675 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.11 129.0 54.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.299 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 HD11 ' A' ' 110' ' ' ILE . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 111' ' ' ILE . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HD21 ' A' ' 67' ' ' LEU . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 94' ' ' LEU . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 90' ' ' LEU . 72.4 Cg_endo -82.14 108.92 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.74 139.26 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -114.92 129.97 56.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.783 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -60.18 -36.26 77.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.135 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 tp -116.48 86.98 19.22 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.497 -0.319 . . . . 15.0 110.165 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.81 5.38 2.54 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.296 1.33 . . . . 15.0 113.901 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -101.37 129.78 47.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.787 0.327 . . . . 15.0 110.202 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -114.13 151.39 32.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.827 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -121.82 138.31 54.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.079 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -114.75 134.7 54.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.972 0.415 . . . . 15.0 110.919 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.763 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.514 HD21 HD12 ' A' ' 126' ' ' LEU . 10.6 tp -101.57 103.24 26.35 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 119.035 -0.507 . . . . 15.0 110.519 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -48.99 -27.96 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.386 1.39 . . . . 15.0 112.848 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.514 HD12 HD21 ' A' ' 124' ' ' LEU . 81.5 mt -56.26 -38.53 71.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.074 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.5 mt -85.61 140.63 30.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 15.0 110.37 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.19 61.54 0.31 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.983 -0.847 . . . . 15.0 110.983 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -56.06 -35.45 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.119 -0.232 . . . . 15.0 111.264 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.92 123.3 83.75 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-O 118.484 -0.769 . . . . 15.0 110.216 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.29 -38.07 87.21 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.18 1.254 . . . . 15.0 112.03 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.87 140.66 29.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.519 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.5 t -118.48 132.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.075 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.86 82.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.316 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.461 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -58.98 142.94 49.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 15.0 110.759 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -107.11 -152.47 18.57 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.85 -35.48 4.97 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.533 -0.627 . . . . 15.0 111.533 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.57 -41.33 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 147.53 51.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.778 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.47 149.36 16.97 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.738 -0.945 . . . . 15.0 110.738 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.54 132.33 54.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 15.0 110.78 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.3 m -62.95 -36.5 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.22 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.49 166.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.841 0.353 . . . . 15.0 110.737 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.7 39.94 13.27 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.5 m -57.23 -36.39 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.523 0.201 . . . . 15.0 111.342 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.18 78.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.141 -0.784 . . . . 15.0 111.141 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -61.03 -38.29 85.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 15.0 110.967 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.97 -34.92 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.496 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -94.34 109.72 21.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.331 . . . . 15.0 110.631 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -59.72 -38.37 81.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.944 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -77.67 136.75 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.667 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.2 154.39 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.471 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.3 125.07 50.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.734 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.26 -33.89 66.28 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.725 -0.55 . . . . 15.0 111.725 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.84 -33.37 68.57 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 122.802 -0.234 . . . . 15.0 111.517 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.03 -36.0 62.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.558 0.218 . . . . 15.0 111.374 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -114.84 134.19 55.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.818 0.342 . . . . 15.0 110.424 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -69.47 -38.76 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.999 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -81.43 126.82 32.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.665 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -38.98 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -38.25 3.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -126.28 140.16 52.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.835 0.35 . . . . 15.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -93.34 11.06 29.54 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.048 0.759 . . . . 15.0 113.048 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -121.62 135.5 54.98 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.023 -0.423 . . . . 15.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -64.97 -37.26 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.033 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -92.81 126.14 37.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 15.0 110.324 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.21 -37.75 84.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.247 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -71.78 126.51 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 15.0 110.657 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -61.49 -39.55 91.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.988 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -96.11 103.75 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 15.0 110.732 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -60.76 -35.28 76.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 15.0 111.459 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 -33.9 71.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.694 -0.23 . . . . 15.0 111.611 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -89.4 117.43 28.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.361 . . . . 15.0 110.597 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -136.33 27.47 3.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.121 -0.49 . . . . 15.0 112.045 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -130.63 150.6 51.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.702 0.287 . . . . 15.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.37 123.68 46.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.519 -0.31 . . . . 15.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 110' ' ' ILE . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 101' ' ' MET . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 65' ' ' TYR . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.441 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.459 ' O ' HG21 ' A' ' 73' ' ' VAL . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 67' ' ' LEU . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.418 ' HD2' HD13 ' A' ' 90' ' ' LEU . 70.9 Cg_endo -78.45 134.41 12.5 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -93.18 20.36 7.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.991 -0.55 . . . . 15.0 112.413 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -55.92 -35.71 66.9 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.224 -0.297 . . . . 15.0 111.41 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -87.13 136.74 32.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.887 0.375 . . . . 15.0 110.843 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 tp -130.26 76.3 78.0 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.797 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -89.16 84.59 0.55 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.754 1.636 . . . . 15.0 113.402 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.23 135.58 53.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.27 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -111.24 140.4 45.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.634 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -116.88 130.83 56.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.435 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.7 p -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.806 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.62 143.13 47.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 15.0 110.811 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 83.24 66.68 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -83.59 69.18 6.83 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.652 1.568 . . . . 15.0 112.389 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.2 tp -103.72 125.49 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.153 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.25 -39.88 88.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.878 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.14 121.23 5.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.137 -0.785 . . . . 15.0 111.137 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -59.84 -34.6 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.491 0.186 . . . . 15.0 111.391 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.1 89.48 3.05 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.522 -0.275 . . . . 15.0 110.595 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.2 111.07 1.16 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.281 1.32 . . . . 15.0 111.877 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.572 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 133' ' ' VAL . 11.7 p -60.0 125.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.981 0.419 . . . . 15.0 110.474 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.57 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.845 -0.616 . . . . 15.0 111.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.8 143.57 25.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 15.0 111.051 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.24 124.75 3.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.044 -0.823 . . . . 15.0 111.044 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.65 -38.07 79.86 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.188 -0.765 . . . . 15.0 111.188 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.27 131.8 68.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.41 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.714 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.45 27.87 64.76 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 121.282 -0.485 . . . . 15.0 112.282 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -111.62 28.48 8.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.193 0.497 . . . . 15.0 111.901 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.2 t -66.88 139.69 57.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 15.0 110.611 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -117.75 125.86 51.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.55 81.58 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.324 -0.71 . . . . 15.0 111.324 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.1 m -62.12 154.61 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 15.0 110.501 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -161.85 119.11 0.86 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.159 -0.777 . . . . 15.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.4 p -62.32 -28.74 69.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.972 0.36 . . . . 15.0 111.972 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.52 -33.7 68.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.517 0.192 . . . . 15.0 111.517 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -77.3 113.94 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 15.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.56 -37.66 76.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.075 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -59.77 -37.06 78.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 15.0 111.116 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.32 -41.73 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 15.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.932 -1.032 . . . . 15.0 110.532 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.372 -0.603 . . . . 15.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -104.91 119.09 38.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.548 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.72 -37.36 92.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.381 -0.688 . . . . 15.0 111.381 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.02 17.43 5.79 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -54.82 -38.12 66.98 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.188 -0.32 . . . . 15.0 111.027 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -60.57 -35.06 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 15.0 111.422 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.17 125.68 38.95 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.997 -0.371 . . . . 15.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -61.47 -45.4 94.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.036 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.29 -45.28 92.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.741 -0.384 . . . . 15.0 111.191 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.45 42.71 65.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.408 -0.677 . . . . 15.0 111.408 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -59.34 129.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 15.0 111.133 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.94 -34.4 78.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.554 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -52.29 -32.26 36.75 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.83 121.72 11.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 15.0 110.687 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.79 -32.71 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.579 . . . . 15.0 111.558 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -53.7 -31.34 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.62 0.229 . . . . 15.0 111.62 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -53.14 -38.9 63.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.702 0.286 . . . . 15.0 111.26 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.39 130.02 55.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 15.0 110.632 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -104.64 122.09 44.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.304 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.3 p -61.34 -35.23 76.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.455 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -122.57 117.83 26.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 15.0 110.97 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.87 -36.38 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.372 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.3 -37.19 64.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.406 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -117.38 141.65 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.326 -0.25 . . . . 15.0 110.326 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt -107.02 132.28 53.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HD2' ' A' ' 113' ' ' PRO . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' HD13 ' A' ' 90' ' ' LEU . 58.3 Cg_endo -75.75 108.35 2.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.7 tp -100.7 129.58 46.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.511 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.23 140.41 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.511 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -87.05 -1.88 58.21 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.2 tp -127.23 80.17 72.05 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.347 0.521 . . . . 15.0 110.665 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.79 161.06 8.67 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.322 1.348 . . . . 15.0 111.752 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.75 155.15 50.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.68 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -147.96 141.47 25.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.537 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.67 127.18 54.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.37 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -66.15 -31.37 72.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.863 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.15 139.65 32.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.878 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.7 tp -130.12 84.09 61.29 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.29 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.85 116.43 3.68 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.328 1.352 . . . . 15.0 111.903 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.2 tp -100.16 127.52 46.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.505 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.532 HD12 ' H ' ' A' ' 127' ' ' LEU . 6.4 mp -62.71 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 15.0 110.809 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 34.18 58.59 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.673 -0.571 . . . . 15.0 111.673 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m -122.08 147.67 45.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.804 0.335 . . . . 15.0 110.231 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.84 78.09 73.9 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.357 -0.383 . . . . 15.0 110.572 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.41 72.99 3.53 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.664 1.576 . . . . 15.0 112.012 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.1 mt -96.33 133.77 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.621 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.71 -41.95 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.04 85.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.93 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.2 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.89 118.84 15.32 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.003 -0.839 . . . . 15.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.79 -36.69 80.74 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.343 -0.703 . . . . 15.0 111.343 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.68 131.64 60.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.978 -0.378 . . . . 15.0 109.978 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.56 87.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 15.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 119.45 7.8 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.1 -0.8 . . . . 15.0 111.1 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.15 -39.6 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 15.0 110.889 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -70.4 134.58 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.676 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -110.66 125.9 53.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.619 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.69 79.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.426 -0.67 . . . . 15.0 111.426 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 m -56.73 -35.67 68.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.566 0.222 . . . . 15.0 111.305 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.52 58.34 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.5 m -55.24 -34.49 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.692 -0.299 . . . . 15.0 111.516 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.29 -35.73 74.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.535 0.198 . . . . 15.0 111.535 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -87.47 7.67 28.27 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.476 0.917 . . . . 15.0 113.476 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.52 -35.8 76.86 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 118.085 0.402 . . . . 15.0 111.199 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -117.98 139.27 51.42 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.954 0.407 . . . . 15.0 110.79 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -109.11 135.09 50.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.369 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 15.0 110.39 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -56.33 -40.16 74.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.44 63.08 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.286 -0.725 . . . . 15.0 111.286 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.46 -37.37 72.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 15.0 111.101 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -98.27 92.21 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.467 0.651 . . . . 15.0 111.044 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -64.8 -26.76 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 15.0 112.154 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -54.37 -39.91 67.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.823 0.344 . . . . 15.0 111.015 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -58.83 -40.09 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.51 -35.93 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.68 -37.85 62.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.413 -0.675 . . . . 15.0 111.413 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -58.68 -38.62 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.935 -0.306 . . . . 15.0 110.92 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.03 -37.05 73.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.228 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 t -55.9 -37.86 69.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.542 -0.299 . . . . 15.0 111.132 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -98.78 128.49 45.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 15.0 110.463 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.23 -38.36 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.976 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 54' ' ' LEU . 6.7 mp -100.32 139.3 36.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 15.0 110.674 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -118.14 -30.35 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.74 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.27 -40.67 74.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.61 0.243 . . . . 15.0 110.848 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -93.59 97.45 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 15.0 110.381 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -61.46 -36.8 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.381 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.47 138.17 54.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.92 0.391 . . . . 15.0 111.124 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.28 143.4 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.122 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -116.81 87.35 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.83 0.348 . . . . 15.0 111.124 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -138.84 151.53 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 15.0 109.929 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp -100.76 121.34 41.51 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.297 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 76' ' ' LEU . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' A' ' 65' ' ' TYR . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 111' ' ' ILE . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.608 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.1 Cg_endo -81.14 102.2 1.33 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.27 -38.01 73.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.42 135.76 33.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 15.0 110.644 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.69 152.55 22.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.465 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.9 tp -124.08 87.34 53.44 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.356 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.44 -39.46 16.82 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.529 1.486 . . . . 15.0 112.852 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -105.86 127.75 53.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 15.0 110.394 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -116.59 131.43 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.432 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.15 -39.01 92.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.082 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -59.69 157.77 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.63 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.35 154.42 50.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.555 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 124' ' ' LEU . 4.6 tt -124.63 79.95 62.03 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.372 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.76 122.67 11.38 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.283 1.322 . . . . 15.0 112.192 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.4 tp -100.97 126.88 47.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.225 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.45 -40.18 90.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.832 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.92 40.36 63.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.978 -0.849 . . . . 15.0 110.978 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -59.07 -30.57 68.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.779 0.288 . . . . 15.0 111.779 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.6 79.21 38.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 110.402 -0.222 . . . . 15.0 110.402 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.39 117.23 3.86 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.382 1.388 . . . . 15.0 111.889 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.7 tp -99.74 128.98 45.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.9 t -119.41 131.59 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.001 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.86 85.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.225 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -62.31 145.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 15.0 110.779 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -128.85 47.44 1.02 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.645 -0.982 . . . . 15.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.34 128.01 38.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.374 -0.69 . . . . 15.0 111.374 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -38.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.554 0.216 . . . . 15.0 110.421 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.65 -31.1 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.528 -0.305 . . . . 15.0 111.704 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.09 -33.43 37.43 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.87 -0.492 . . . . 15.0 111.87 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.5 128.88 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 15.0 110.416 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.7 m -60.75 -40.24 91.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.787 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -56.37 -39.16 72.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.892 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.92 35.07 65.29 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.503 -0.639 . . . . 15.0 111.503 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 50.2 m -122.47 147.92 45.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 15.0 110.629 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -141.61 126.35 3.0 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.909 -0.876 . . . . 15.0 110.909 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.86 -33.2 73.75 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.105 -0.238 . . . . 15.0 111.611 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.71 -36.98 82.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.601 0.238 . . . . 15.0 111.178 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -106.69 116.85 32.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.704 0.287 . . . . 15.0 110.573 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.0 tp -101.43 122.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 15.0 110.367 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -103.73 -1.7 27.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.206 0.817 . . . . 15.0 113.206 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -132.46 163.06 29.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.202 0.456 . . . . 15.0 110.732 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.024 -0.989 . . . . 15.0 110.421 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.68 -36.22 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.63 -36.48 59.06 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.451 -0.66 . . . . 15.0 111.451 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.47 -37.06 72.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.073 -0.251 . . . . 15.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -55.72 -37.77 68.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.634 -0.257 . . . . 15.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -102.27 140.18 36.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 15.0 110.604 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -128.0 159.0 36.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 15.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.61 -55.99 2.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.087 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.81 139.68 32.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 15.0 111.197 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.61 45.91 0.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.551 -1.019 . . . . 15.0 110.551 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -56.95 -35.89 69.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.44 0.163 . . . . 15.0 111.44 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -77.57 108.15 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 15.0 110.875 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -61.03 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.019 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -92.26 135.16 34.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 15.0 110.746 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -107.18 126.12 51.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.096 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.87 -35.06 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.6 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.6 m -53.56 -38.07 63.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.75 -0.205 . . . . 15.0 111.318 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -110.5 132.73 53.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 15.0 110.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -142.68 111.27 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -116.65 143.85 45.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 15.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -93.62 -6.21 47.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.224 0.824 . . . . 15.0 113.224 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -54.92 -33.66 62.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.112 0.415 . . . . 15.0 111.622 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.32 -36.51 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.233 -0.187 . . . . 15.0 111.409 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.92 140.18 50.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 15.0 111.012 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp -109.61 130.97 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.073 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.64 ' OE2' HD13 ' A' ' 76' ' ' LEU . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' OE2' ' A' ' 71' ' ' GLU . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' OE1' HD12 ' A' ' 82' ' ' ILE . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' OE1' ' A' ' 80' ' ' GLN . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 113' ' ' PRO . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HD13 ' A' ' 90' ' ' LEU . 85.3 Cg_endo -82.58 61.18 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.3 tp -103.83 126.55 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.163 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -103.66 145.1 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.739 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.19 144.22 49.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.43 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' ALA . 10.0 tp -128.45 85.91 59.15 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.207 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -84.38 25.73 0.68 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.662 1.574 . . . . 15.0 113.142 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -104.5 127.71 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.744 0.307 . . . . 15.0 110.271 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.59 -36.66 81.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 15.0 111.472 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -62.91 -35.66 80.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.65 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.405 ' OG ' HD21 ' A' ' 117' ' ' LEU . 93.8 p -115.81 155.19 28.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 15.0 110.67 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -146.64 149.37 33.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.726 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.3 mt -129.16 83.09 66.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.105 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 81.25 2.46 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.412 1.408 . . . . 15.0 112.528 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.34 125.57 50.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.032 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.68 129.55 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 15.0 110.77 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.58 -36.67 92.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.384 -0.687 . . . . 15.0 111.384 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.0 m -60.58 153.18 24.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.926 0.393 . . . . 15.0 110.929 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.82 87.81 54.87 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.086 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.51 -44.62 20.74 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.474 1.449 . . . . 15.0 112.796 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.94 -37.8 74.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.507 -0.315 . . . . 15.0 111.166 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.36 132.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.994 0.426 . . . . 15.0 110.372 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.74 145.45 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.449 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.38 157.37 45.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.432 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -150.56 -175.03 22.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.111 -0.795 . . . . 15.0 111.111 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.55 37.02 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.309 -0.716 . . . . 15.0 111.309 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.53 136.16 61.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.929 -0.397 . . . . 15.0 109.929 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.81 152.42 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.307 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.6 -32.59 7.39 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.179 -0.534 . . . . 15.0 111.772 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -96.72 14.23 25.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.822 0.675 . . . . 15.0 112.822 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.5 m -57.48 -39.34 76.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 117.905 0.32 . . . . 15.0 110.799 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.403 ' HA ' HD21 ' A' ' 143' ' ' ASN . 1.8 t-20 -55.93 -39.67 72.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.945 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.81 37.94 66.07 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.0 p -122.99 156.21 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 15.0 110.583 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 82.39 25.12 52.27 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.025 -0.534 . . . . 15.0 112.435 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.9 p -131.09 137.76 49.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 117.445 0.622 . . . . 15.0 110.412 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.03 -37.86 78.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.056 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.55 -36.83 67.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.217 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.09 140.18 30.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 15.0 110.744 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -142.9 162.41 35.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.641 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -141.35 162.42 35.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.941 -1.028 . . . . 15.0 110.502 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -55.8 -37.35 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.114 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.32 130.15 11.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.047 -0.821 . . . . 15.0 111.047 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -116.45 144.27 44.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.734 0.302 . . . . 15.0 110.358 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -137.87 -12.75 1.48 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.023 0.749 . . . . 15.0 113.023 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -61.46 -34.77 76.0 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 122.177 -0.327 . . . . 15.0 111.6 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -68.94 -22.05 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.679 0.622 . . . . 15.0 112.679 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -82.04 121.5 26.63 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 15.0 110.695 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.6 tp -64.27 -37.82 88.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 15.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.68 23.85 7.16 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.132 -0.556 . . . . 15.0 112.815 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.5 p -62.27 -30.02 70.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 117.418 0.609 . . . . 15.0 111.818 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.41 18.18 5.51 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.5 t -57.12 122.12 11.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.848 0.356 . . . . 15.0 110.527 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.3 -40.34 95.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.355 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.09 127.08 51.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 15.0 111.065 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.14 -38.27 85.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.899 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 57' ' ' ASN . 34.5 m -119.83 133.96 55.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.06 0.457 . . . . 15.0 110.974 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.5 -38.88 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.061 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' H ' HG22 ' A' ' 55' ' ' THR . 81.3 m-20 -81.52 11.64 4.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.089 0.774 . . . . 15.0 113.089 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 m -57.12 -35.31 69.31 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.063 0.392 . . . . 15.0 111.386 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -59.87 -35.81 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.404 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -86.25 128.91 34.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 15.0 110.72 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -130.93 23.67 4.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.392 0.516 . . . . 15.0 112.392 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -135.32 152.92 51.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.644 0.259 . . . . 15.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp -101.77 125.75 48.5 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 76' ' ' LEU . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 108' ' ' GLN . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.91 116.28 4.22 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -96.9 132.32 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 15.0 111.382 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.14 -27.57 69.47 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.703 -0.68 . . . . 15.0 112.143 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -50.73 -31.07 15.56 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 117' ' ' LEU . 4.9 tt -117.91 79.58 13.76 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 110.537 -0.171 . . . . 15.0 110.537 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.61 154.41 42.82 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.391 1.394 . . . . 15.0 111.915 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -138.69 156.83 47.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.618 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -128.08 147.4 50.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.181 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -142.54 149.89 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -93.76 -35.53 12.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.666 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' C ' HD12 ' A' ' 124' ' ' LEU . . . -61.6 148.79 41.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 15.0 111.29 -176.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 123' ' ' ALA . 5.5 mp -127.16 73.93 77.08 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.975 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.82 113.13 1.43 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.323 1.349 . . . . 15.0 111.993 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.0 tp -99.76 127.65 45.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.391 . . . . 15.0 110.411 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.5 mt -99.58 140.87 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.61 128.15 2.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.081 -0.808 . . . . 15.0 111.081 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -122.86 148.15 45.74 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.2 73.35 72.17 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.476 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.17 110.77 0.74 Allowed 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.418 1.412 . . . . 15.0 111.742 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.39 -39.39 79.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 15.0 110.863 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.39 -38.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.057 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 148.74 49.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.834 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.13 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 177.03 -165.28 35.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.056 -0.818 . . . . 15.0 111.056 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.69 37.47 13.7 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.6 -42.13 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.14 146.91 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.512 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.04 130.16 5.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.15 -15.75 33.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.7 m -54.82 -39.09 68.17 Favored 'General case' 0 C--O 1.231 0.1 0 O-C-N 122.141 -0.35 . . . . 15.0 111.048 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -90.99 160.66 15.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.779 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.7 121.77 0.93 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.083 -0.807 . . . . 15.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.1 p -61.42 -36.81 81.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.675 0.274 . . . . 15.0 111.129 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.63 33.59 71.91 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.783 -0.527 . . . . 15.0 111.783 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.94 -31.94 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.66 -0.318 . . . . 15.0 111.722 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.34 -34.47 73.89 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -94.05 116.77 29.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.873 0.368 . . . . 15.0 110.788 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.58 5.47 45.47 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.978 0.733 . . . . 15.0 112.978 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -56.13 -37.58 69.65 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 118.14 0.427 . . . . 15.0 111.151 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -115.12 156.57 24.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.865 0.364 . . . . 15.0 110.777 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.985 -1.007 . . . . 15.0 110.588 -179.552 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -99.82 121.34 41.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.394 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.89 -77.51 1.32 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.141 -0.783 . . . . 15.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.31 136.85 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 15.0 110.755 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -96.98 10.35 39.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.937 0.718 . . . . 15.0 112.937 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.23 -40.27 81.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.103 0.411 . . . . 15.0 111.003 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -57.54 -40.22 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.992 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -100.76 128.82 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.866 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 47' ' ' LEU . 5.8 mp -99.2 126.75 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.3 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.39 94.84 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.419 -0.672 . . . . 15.0 111.419 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -120.57 138.55 53.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.1 0.476 . . . . 15.0 111.329 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.89 -33.85 75.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.596 -0.729 . . . . 15.0 111.495 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -57.74 -33.4 68.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.596 0.221 . . . . 15.0 111.596 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -57.73 -35.09 70.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.35 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.86 -37.65 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.572 0.225 . . . . 15.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.05 126.66 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.883 0.373 . . . . 15.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 m -66.79 -37.09 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 15.0 111.354 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -108.31 136.26 48.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 15.0 111.447 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.71 125.29 50.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.164 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -60.02 -35.68 75.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.589 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -99.45 109.0 21.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 15.0 110.909 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -144.17 -16.49 0.58 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.016 0.747 . . . . 15.0 113.016 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.81 -38.82 64.96 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.118 -0.364 . . . . 15.0 111.635 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -145.85 122.9 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 15.0 110.989 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt -108.66 134.2 51.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.047 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.48 ' CE2' HD13 ' A' ' 76' ' ' LEU . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.48 HD13 ' CE2' ' A' ' 65' ' ' TYR . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 94' ' ' LEU . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.414 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.1 Cg_endo -91.72 119.76 0.55 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 114' ' ' LEU . 5.6 mp -97.04 134.26 40.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.088 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -105.82 145.31 31.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.534 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -125.6 152.6 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.489 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -121.57 82.58 40.65 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.241 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -82.09 103.18 1.29 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.514 1.476 . . . . 15.0 112.47 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -59.31 -34.59 72.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.475 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.43 -32.95 67.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.66 -0.246 . . . . 15.0 111.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -106.82 135.49 48.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.874 0.369 . . . . 15.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.6 m -86.37 22.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.903 -0.59 . . . . 15.0 112.534 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.69 145.02 20.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 15.0 110.961 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -123.75 86.4 53.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.497 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.0 118.26 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.296 1.33 . . . . 15.0 111.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.9 tp -56.42 -38.66 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.86 140.72 29.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 15.0 110.228 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -137.9 127.15 3.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.136 -0.785 . . . . 15.0 111.136 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 m -59.24 -34.98 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.458 0.171 . . . . 15.0 111.351 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.6 83.98 23.2 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.771 -0.195 . . . . 15.0 110.646 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.74 119.9 7.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.353 1.368 . . . . 15.0 111.972 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.5 tp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.353 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -62.82 -39.51 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.633 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.87 -36.46 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.277 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.444 ' HB3' HG22 ' A' ' 138' ' ' VAL . . . -86.6 119.31 26.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 15.0 110.457 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.7 -37.71 89.21 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.608 -0.597 . . . . 15.0 111.608 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.17 -44.81 93.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.165 -0.541 . . . . 15.0 111.779 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 135' ' ' ALA . 32.6 m -74.13 -31.6 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.973 -0.291 . . . . 15.0 111.77 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.48 143.47 55.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 15.0 110.576 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.91 114.28 2.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -56.11 -39.32 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 15.0 110.99 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.9 m -77.71 135.1 38.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 15.0 110.664 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -109.41 124.56 51.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.429 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -87.3 29.54 5.18 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.074 -0.584 . . . . 15.0 112.255 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -35.5 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.074 0.437 . . . . 15.0 111.278 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 70.91 -121.29 9.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.753 -0.939 . . . . 15.0 110.753 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.3 m -59.42 147.74 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 15.0 110.259 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.45 144.53 50.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.679 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -116.07 111.17 19.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.263 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 76.1 mt -96.85 140.51 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 15.0 110.469 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -110.6 23.8 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.313 0.486 . . . . 15.0 112.313 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -60.42 -39.23 86.65 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.64 0.257 . . . . 15.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.492 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -106.46 149.06 27.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 42.26 7.67 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.975 -0.85 . . . . 15.0 110.975 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -60.15 -36.98 78.75 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.089 -0.244 . . . . 15.0 111.153 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -109.9 98.45 7.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 15.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -66.69 -34.01 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.584 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.97 -40.58 70.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.678 -0.237 . . . . 15.0 111.221 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -82.72 121.87 27.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 15.0 110.833 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.67 -35.07 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.409 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.95 -34.99 52.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.797 -0.521 . . . . 15.0 111.797 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -56.52 -37.15 70.04 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.727 -0.278 . . . . 15.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.62 148.8 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 15.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.0 t -121.85 130.42 53.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.424 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -62.81 -36.58 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.367 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 53' ' ' LEU . 7.0 mp -86.7 109.62 19.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 15.0 111.033 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 54' ' ' LEU . 6.5 mp -69.72 -34.45 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.46 177.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' HIS . 7.0 t -52.76 -42.06 64.61 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.648 0.24 . . . . 15.0 111.648 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' THR . 85.0 t60 -58.69 -43.0 89.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 15.0 110.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.07 -32.53 71.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.602 . . . . 15.0 111.891 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -110.22 145.48 37.25 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.142 0.496 . . . . 15.0 111.583 -174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -85.15 -5.24 59.34 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.27 -29.91 59.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.083 0.402 . . . . 15.0 111.905 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -49.95 -28.17 6.38 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -117.26 143.18 46.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.859 0.362 . . . . 15.0 110.602 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 63' ' ' LEU . 7.7 tt -113.61 129.61 56.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.83 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CE2' HD21 ' A' ' 76' ' ' LEU . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 65' ' ' TYR . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -77.13 118.96 4.87 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD23 ' C ' ' A' ' 114' ' ' LEU . 8.6 tt -99.35 127.0 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.078 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -118.2 145.72 44.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.835 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.68 27.59 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.668 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 tt -123.59 78.44 55.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 110.068 -0.345 . . . . 15.0 110.068 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.32 50.24 2.36 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.755 1.637 . . . . 15.0 112.496 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.36 130.15 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -34.48 77.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.374 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.02 129.62 54.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.693 0.282 . . . . 15.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.6 p -128.53 140.38 51.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.967 0.413 . . . . 15.0 111.163 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.1 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.031 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.0 mt -79.93 141.6 55.14 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.355 -0.355 . . . . 15.0 110.32 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -90.11 2.42 5.22 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.817 1.678 . . . . 15.0 113.855 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.61 -35.5 65.93 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.164 -0.214 . . . . 15.0 111.118 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 127' ' ' LEU . 5.6 mp -82.27 142.68 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 15.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -112.93 155.56 16.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.089 -0.804 . . . . 15.0 111.089 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.0 m -124.32 151.78 43.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 15.0 110.335 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.86 85.7 45.25 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.535 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.62 121.72 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.304 1.336 . . . . 15.0 112.003 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.14 -36.57 75.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.6 t -107.21 135.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 15.0 110.11 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.24 156.35 46.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.23 42.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.717 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.25 32.59 28.16 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.89 -0.484 . . . . 15.0 111.89 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.6 72.21 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.638 -0.585 . . . . 15.0 111.638 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.66 -33.58 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 122.76 -0.259 . . . . 15.0 111.638 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 142.99 37.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.341 . . . . 15.0 110.767 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.58 47.98 0.98 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 15.0 110.952 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -54.32 -37.32 64.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.635 0.255 . . . . 15.0 111.315 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.8 t -57.15 138.06 55.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 15.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -140.88 174.03 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -142.87 169.67 25.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.987 -0.845 . . . . 15.0 110.987 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.1 p -152.46 170.45 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 15.0 110.616 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.82 37.78 15.51 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.3 t -57.52 -37.19 72.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.996 -0.282 . . . . 15.0 110.973 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.15 -32.48 72.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.553 -0.294 . . . . 15.0 111.65 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -52.31 -32.42 37.69 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -79.58 131.42 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.948 0.404 . . . . 15.0 110.572 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -67.07 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.668 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -119.49 158.08 27.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.922 0.391 . . . . 15.0 110.673 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.973 -1.013 . . . . 15.0 110.601 -179.319 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.374 -0.602 . . . . 15.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -104.07 136.7 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.29 -125.39 1.39 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.061 -0.815 . . . . 15.0 111.061 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -57.89 140.14 52.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 15.0 110.7 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -118.87 104.49 10.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.407 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -66.65 -27.99 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.013 0.375 . . . . 15.0 112.013 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -54.72 -37.66 66.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.639 0.257 . . . . 15.0 111.163 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -57.17 -40.15 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 15.0 110.673 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.56 -39.23 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.693 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.62 -118.36 9.8 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.399 -0.68 . . . . 15.0 111.399 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' OG ' HD22 ' A' ' 54' ' ' LEU . 52.6 p -65.3 153.27 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 15.0 111.052 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -112.27 19.33 17.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.825 -0.625 . . . . 15.0 112.296 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -112.42 133.36 54.55 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.917 0.389 . . . . 15.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -62.56 -33.28 74.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 15.0 111.545 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -53.24 -30.62 39.11 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.662 0.245 . . . . 15.0 111.662 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD22 ' OG ' ' A' ' 49' ' ' SER . 25.0 tp -62.16 122.84 16.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.054 0.454 . . . . 15.0 110.543 -177.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -63.25 -34.79 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.795 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -53.04 -37.61 61.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.662 -0.244 . . . . 15.0 111.623 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.29 -35.83 65.51 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.067 -0.253 . . . . 15.0 111.389 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -110.53 136.14 50.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.022 0.439 . . . . 15.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.04 -39.25 90.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.139 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -84.57 124.32 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.752 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -130.94 32.94 4.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.75 144.42 49.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.583 0.23 . . . . 15.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -107.34 128.28 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 76' ' ' LEU . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 65' ' ' TYR . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' HD13 ' A' ' 90' ' ' LEU . 92.8 Cg_endo -92.6 99.13 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.51 139.32 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.711 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -126.82 148.53 49.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.477 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -122.21 150.95 41.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.374 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.75 78.76 56.61 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.305 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.39 -17.99 23.27 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.446 1.431 . . . . 15.0 113.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -93.95 130.55 40.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 15.0 110.909 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -109.98 142.06 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.437 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -132.71 149.04 52.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.962 0.411 . . . . 15.0 110.793 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -85.96 -30.29 22.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.042 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.96 148.34 13.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.32 . . . . 15.0 111.029 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.37 77.4 72.61 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.461 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.61 107.59 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.581 1.521 . . . . 15.0 111.994 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.81 134.7 35.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.564 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 127' ' ' LEU . 5.8 mp -106.35 129.12 54.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.437 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.31 -35.52 91.06 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.637 -0.585 . . . . 15.0 111.637 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.7 p -59.85 -32.18 70.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.791 0.293 . . . . 15.0 111.791 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.02 148.14 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.924 -0.31 . . . . 15.0 110.435 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.31 -26.87 0.41 Allowed 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.693 1.595 . . . . 15.0 113.172 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.1 -35.44 69.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.606 -0.27 . . . . 15.0 111.312 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.67 152.74 22.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.981 0.419 . . . . 15.0 110.852 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.79 154.89 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.622 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -137.94 130.57 29.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 15.0 110.685 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.29 -36.56 93.22 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.85 -33.22 49.45 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.792 -0.523 . . . . 15.0 111.792 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.51 142.52 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.969 0.414 . . . . 15.0 110.902 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.92 34.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.342 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.65 45.34 1.32 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.063 -0.815 . . . . 15.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -54.65 -38.91 67.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 15.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.5 m -57.1 -39.21 74.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -96.35 153.22 17.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.521 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.48 38.59 14.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.158 -0.777 . . . . 15.0 111.158 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.2 t -113.63 131.31 56.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.922 0.392 . . . . 15.0 110.648 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.65 93.54 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.483 -0.647 . . . . 15.0 111.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 m -56.24 -37.44 69.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.592 0.234 . . . . 15.0 111.061 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.95 -35.26 77.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.326 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -97.47 120.64 38.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 15.0 110.469 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.3 tp -56.87 -38.86 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.99 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -113.74 106.68 14.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 15.0 110.158 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.88 -47.39 80.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.187 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.013 -0.994 . . . . 15.0 110.637 -179.71 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -87.96 157.46 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.6 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.89 36.75 17.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.458 -0.657 . . . . 15.0 111.458 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.51 128.48 36.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.788 0.328 . . . . 15.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -64.68 -38.93 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.907 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.76 131.75 56.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.481 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -76.98 -21.28 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -86.3 125.2 33.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.84 0.352 . . . . 15.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.76 -36.46 83.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.2 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.39 118.08 6.54 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.395 -0.682 . . . . 15.0 111.395 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -61.22 -34.57 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.547 0.213 . . . . 15.0 111.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -55.04 -37.05 66.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.579 0.228 . . . . 15.0 111.33 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -57.87 -33.0 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.994 -0.282 . . . . 15.0 111.583 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.34 -37.64 72.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.584 0.231 . . . . 15.0 111.052 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.4 tp -94.31 129.79 40.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 15.0 110.728 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -100.84 136.8 40.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.697 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -70.85 -30.17 66.51 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.066 -0.516 . . . . 15.0 111.85 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -38.23 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.601 0.238 . . . . 15.0 111.079 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.46 -34.84 59.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.556 -0.293 . . . . 15.0 111.577 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -86.95 148.83 25.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.89 0.376 . . . . 15.0 110.649 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -136.54 164.63 27.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.615 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -159.7 -32.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.669 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -60.5 132.72 54.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 15.0 111.304 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -133.74 158.97 41.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.868 -0.606 . . . . 15.0 110.244 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 63' ' ' LEU . 8.3 tt -100.73 123.74 45.36 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 76' ' ' LEU . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 127' ' ' LEU . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.638 HD11 HD12 ' A' ' 111' ' ' ILE . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.487 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.423 HD11 HD21 ' A' ' 67' ' ' LEU . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 94' ' ' LEU . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.5 Cg_endo -87.66 51.24 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.12 137.89 41.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.678 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -109.13 128.14 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.384 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -61.6 -36.08 79.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.268 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.46 88.58 38.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.641 -0.254 . . . . 15.0 110.876 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.04 86.44 0.12 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.222 1.281 . . . . 15.0 111.788 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.21 -38.49 76.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.174 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -70.37 127.04 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 15.0 110.738 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.8 -38.6 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 15.0 111.173 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 p -56.59 160.94 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 15.0 110.78 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.45 154.29 49.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.702 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.95 91.89 47.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.201 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -45.2 -31.39 6.01 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.553 1.502 . . . . 15.0 112.943 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.97 -43.91 82.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.863 0.363 . . . . 15.0 110.637 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.588 HD13 HD21 ' A' ' 90' ' ' LEU . 25.7 tp -101.53 126.12 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 15.0 109.931 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.22 144.54 17.31 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.301 -0.72 . . . . 15.0 111.301 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -124.41 151.24 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.167 -0.309 . . . . 15.0 110.167 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.41 76.28 44.18 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.535 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.73 101.35 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.415 1.41 . . . . 15.0 111.835 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.83 -37.96 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.017 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.42 -41.85 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 15.0 110.141 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.46 146.59 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.67 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.95 153.0 44.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.538 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.12 117.05 0.62 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.066 -0.814 . . . . 15.0 111.066 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.12 86.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.042 -0.823 . . . . 15.0 111.042 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.06 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.088 -0.338 . . . . 15.0 110.088 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.29 148.17 45.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.64 162.02 24.07 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 15.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.06 156.43 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 15.0 110.436 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.6 t -122.68 38.98 4.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.34 -38.52 68.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.047 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.0 38.81 74.43 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.6 t -109.54 139.98 43.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 15.0 110.546 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -104.2 -37.8 2.81 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.337 -0.705 . . . . 15.0 111.337 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -111.09 133.92 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 15.0 110.786 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.19 -35.71 81.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.247 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -99.35 118.63 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.816 0.341 . . . . 15.0 110.616 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.18 -40.5 96.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.893 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -67.5 -34.78 77.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 15.0 111.577 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.31 130.86 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 15.0 110.676 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.482 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -99.05 113.66 25.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.655 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.1 -28.1 48.0 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.12 -0.491 . . . . 15.0 112.475 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.47 -30.93 65.46 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.088 0.403 . . . . 15.0 112.088 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -77.47 10.45 2.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.225 0.824 . . . . 15.0 113.225 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 47' ' ' LEU . 11.7 t80 -121.09 130.68 53.86 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.51 -48.33 78.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.94 -174.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.96 -39.69 90.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.883 -0.327 . . . . 15.0 111.456 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 44' ' ' TYR . 84.8 mt -62.46 -39.06 92.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.897 -0.321 . . . . 15.0 110.969 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.65 -38.75 96.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.456 -0.658 . . . . 15.0 111.456 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.8 p -62.58 -33.75 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.723 0.268 . . . . 15.0 111.723 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 15.0 110.941 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -64.69 -34.39 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.668 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.19 -38.37 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.661 0.267 . . . . 15.0 111.21 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.81 -39.56 85.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.141 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -105.85 142.03 36.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 15.0 111.121 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.3 m -122.34 132.61 54.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 15.0 109.947 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -105.83 -34.08 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.759 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -82.42 155.75 24.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 15.0 111.48 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -132.4 131.09 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.265 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.57 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.601 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -108.54 125.62 52.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.386 . . . . 15.0 110.73 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.596 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.07 162.78 39.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.725 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp -105.85 130.27 53.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.949 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 110' ' ' ILE . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 65' ' ' TYR . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.691 HD11 HD12 ' A' ' 111' ' ' ILE . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 67' ' ' LEU . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.691 HD12 HD11 ' A' ' 94' ' ' LEU . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.4 Cg_endo -78.3 127.09 8.07 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.4 mt -97.33 139.03 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.385 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -84.51 -2.29 57.09 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.162 0.801 . . . . 15.0 113.162 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -57.86 -35.19 70.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.188 0.449 . . . . 15.0 111.223 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 117' ' ' LEU . 4.8 tt -117.11 85.13 17.9 Favored Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.287 -0.264 . . . . 15.0 110.287 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.68 90.78 0.29 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.366 1.377 . . . . 15.0 112.051 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -101.84 131.01 48.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -111.21 155.27 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.605 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 45.8 p90 -126.45 145.14 50.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.741 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.1 p -86.58 -9.82 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 121' ' ' TYR . . . -56.56 138.79 51.47 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.069 0.395 . . . . 15.0 110.685 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -136.16 85.79 26.9 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.67 86.68 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.271 1.314 . . . . 15.0 111.776 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.19 -38.01 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.85 -40.1 75.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 15.0 110.757 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.4 35.84 63.2 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.528 -0.629 . . . . 15.0 111.528 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 91.4 p -131.67 153.96 49.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.714 0.292 . . . . 15.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.52 151.15 53.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.537 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.79 -31.66 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.657 1.572 . . . . 15.0 112.803 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.78 -35.7 75.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.393 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.54 -38.29 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.639 0.257 . . . . 15.0 111.06 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.27 142.33 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.557 -0.292 . . . . 15.0 110.467 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -116.79 -78.43 0.58 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.504 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.43 36.68 54.53 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.339 -0.704 . . . . 15.0 111.339 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.12 -32.97 60.37 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.856 -0.498 . . . . 15.0 111.856 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.7 136.54 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.979 0.419 . . . . 15.0 110.714 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.46 88.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.699 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.92 -34.77 4.7 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.719 -0.552 . . . . 15.0 111.719 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -123.57 141.05 52.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 15.0 110.723 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.6 m -124.03 136.79 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.195 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.6 132.28 54.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -99.88 32.18 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 121.161 -0.542 . . . . 15.0 111.846 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.5 t -140.56 151.98 45.15 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 122.641 -0.329 . . . . 15.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.64 40.8 14.18 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.926 -0.87 . . . . 15.0 110.926 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.0 p -58.73 -32.9 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.148 -0.221 . . . . 15.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.35 -38.04 73.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.642 0.258 . . . . 15.0 110.951 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -105.61 114.75 29.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.67 0.272 . . . . 15.0 110.472 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.44 131.15 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.674 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.54 -41.69 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.53 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -101.91 130.83 48.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.483 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.05 -0.976 . . . . 15.0 110.402 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.8 -37.08 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 15.0 111.142 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.09 37.28 3.68 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.362 -0.695 . . . . 15.0 111.362 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -54.66 -28.8 49.9 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -49.95 -19.8 0.78 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -49.93 -39.16 39.33 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.133 0.419 . . . . 15.0 112.133 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.79 124.75 45.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.198 -0.297 . . . . 15.0 110.198 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.7 -42.03 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.671 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.7 mt -95.96 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.432 . . . . 15.0 111.104 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -37.46 94.59 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.287 -0.725 . . . . 15.0 111.287 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -119.91 139.76 51.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.082 0.468 . . . . 15.0 111.213 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.69 -28.82 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.654 -0.703 . . . . 15.0 112.04 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.3 p -55.55 -28.75 56.71 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -55.92 -36.84 68.15 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.008 -0.277 . . . . 15.0 111.293 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.57 -37.75 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 15.0 111.164 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.2 mt -97.94 134.22 41.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.83 0.348 . . . . 15.0 110.83 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -121.68 21.34 10.85 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.311 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -56.91 -36.34 70.06 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.307 -0.246 . . . . 15.0 111.453 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -90.02 139.87 30.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 15.0 110.996 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -116.29 131.49 56.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.257 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.32 -42.64 99.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.746 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -103.79 111.07 23.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.364 -0.38 . . . . 15.0 110.797 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.22 -41.55 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.516 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -132.2 162.0 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.242 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp -100.72 121.56 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.1 Cg_endo -79.63 86.11 1.73 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.2 mt -100.5 141.67 33.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.888 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -123.79 132.56 53.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.211 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.37 153.2 52.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 15.0 110.937 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.4 tp -123.86 82.26 55.41 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.865 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.35 -32.15 61.57 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.335 1.357 . . . . 15.0 112.407 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -101.79 129.22 47.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 15.0 110.731 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 149.74 41.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.288 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.596 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 11.6 t80 -124.11 127.01 47.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.885 0.374 . . . . 15.0 110.227 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -61.14 -38.27 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.6 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.596 ' HB3' ' CD2' ' A' ' 121' ' ' TYR . . . -60.64 -32.47 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.885 -0.326 . . . . 15.0 111.567 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.81 82.88 17.29 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 110.258 -0.275 . . . . 15.0 110.258 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.07 86.1 1.69 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.498 1.465 . . . . 15.0 112.107 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.1 mt -95.53 134.99 37.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.578 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.4 tp -106.5 128.69 54.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.293 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -102.98 -46.66 1.44 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.986 -0.846 . . . . 15.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 m -63.33 153.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 15.0 110.585 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.65 78.98 74.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.345 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.64 108.05 0.22 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.384 1.389 . . . . 15.0 111.838 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.82 -38.89 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -117.11 134.46 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.086 -0.339 . . . . 15.0 110.086 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -104.09 147.53 27.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.403 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.26 153.02 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.647 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -141.24 169.21 25.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.894 -0.882 . . . . 15.0 110.894 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -140.36 161.23 26.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.973 -0.851 . . . . 15.0 110.973 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.83 140.26 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 15.0 110.486 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.38 144.36 37.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.229 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.43 -38.98 0.96 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -115.19 138.43 50.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 15.0 110.544 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 144' ' ' GLY . 35.3 m -112.44 129.94 56.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.634 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.09 -36.51 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 15.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 142' ' ' THR . . . -55.91 110.61 2.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.985 -0.846 . . . . 15.0 110.985 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.7 p -62.87 -31.3 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.902 0.334 . . . . 15.0 111.902 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.2 -40.61 75.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.329 -0.708 . . . . 15.0 111.329 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.3 m -61.5 -34.95 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.26 . . . . 15.0 111.55 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.33 -27.34 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -49.98 124.16 9.51 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.308 0.575 . . . . 15.0 112.224 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.35 -35.07 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.302 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -54.6 -33.98 61.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.747 -0.206 . . . . 15.0 111.408 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.27 -41.73 72.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.726 0.298 . . . . 15.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.98 -1.01 . . . . 15.0 110.542 179.536 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -55.82 -37.07 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.51 -123.84 25.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.887 -0.885 . . . . 15.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.61 142.7 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 15.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -109.47 26.45 10.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.177 0.436 . . . . 15.0 112.177 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -65.38 -27.48 68.59 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -53.91 -37.03 63.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.684 0.278 . . . . 15.0 111.337 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -56.62 -38.18 71.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.996 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.18 -39.1 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.301 . . . . 15.0 110.814 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.38 80.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.442 -0.663 . . . . 15.0 111.442 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t -56.7 -34.05 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.852 -0.205 . . . . 15.0 111.541 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.89 -37.22 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.511 0.196 . . . . 15.0 111.253 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -117.78 146.04 44.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 15.0 110.72 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -134.86 122.28 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.231 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.69 -37.11 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.964 -0.562 . . . . 15.0 111.491 -176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -92.79 138.23 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 15.0 110.788 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -70.53 -34.97 72.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 15.0 111.182 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -115.05 135.06 54.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.845 0.355 . . . . 15.0 110.489 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -106.72 115.13 29.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 15.0 110.538 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 p -77.45 -7.63 56.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.2 141.17 40.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.169 0.44 . . . . 15.0 110.712 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -108.79 149.13 29.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.419 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -112.73 168.81 9.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.504 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -143.84 160.99 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.6 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.46 129.95 55.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.438 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 94' ' ' LEU . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 90' ' ' LEU . 59.9 Cg_endo -76.82 105.4 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.6 tp -97.57 129.39 44.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.691 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -117.49 135.04 54.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.523 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.52 142.27 34.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.231 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.91 79.59 74.3 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.619 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -82.97 129.74 5.48 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.554 1.502 . . . . 15.0 111.834 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -135.01 156.74 48.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.997 0.427 . . . . 15.0 111.043 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.84 137.09 51.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.233 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -68.48 -40.75 80.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 15.0 110.769 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.6 p -64.76 -32.64 74.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.753 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.33 155.16 19.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.87 0.366 . . . . 15.0 110.891 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 124' ' ' LEU . 5.2 tt -122.12 78.08 42.55 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.128 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -53.71 120.55 8.04 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.381 1.387 . . . . 15.0 112.184 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.73 -36.26 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.182 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.4 -34.96 69.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.617 -0.265 . . . . 15.0 111.33 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -52.48 -33.52 40.54 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.879 -0.488 . . . . 15.0 111.879 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -64.46 149.05 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 15.0 110.444 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 135' ' ' ALA . . . -123.58 82.05 53.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.402 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.84 -23.03 1.46 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.448 1.432 . . . . 15.0 113.047 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 132' ' ' LEU . 5.7 mp -85.41 133.18 34.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.937 0.398 . . . . 15.0 110.828 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.46 -39.66 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.581 . . . . 15.0 110.433 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.67 -36.16 71.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.482 -0.326 . . . . 15.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 130' ' ' ALA . . . -60.69 -38.37 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.945 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.17 -176.68 48.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 15.0 110.989 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.94 122.52 0.63 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.023 -0.831 . . . . 15.0 111.023 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.07 135.26 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -104.4 147.95 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.58 -96.37 0.49 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.842 -0.903 . . . . 15.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -54.4 -36.82 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.578 0.228 . . . . 15.0 111.243 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.8 m -55.54 -38.86 69.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 15.0 110.972 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -96.0 101.6 13.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 15.0 110.682 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -59.18 -34.78 81.36 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.77 -0.532 . . . . 15.0 111.77 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -55.13 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.784 -0.245 . . . . 15.0 111.426 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.18 -38.76 68.23 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.268 -0.733 . . . . 15.0 111.268 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.6 p -63.51 -32.66 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.126 -0.23 . . . . 15.0 111.58 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.99 -34.2 74.43 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.537 0.199 . . . . 15.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -54.64 -37.03 65.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.614 0.245 . . . . 15.0 111.237 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.4 mt -98.52 138.66 35.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.589 -0.278 . . . . 15.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -127.33 134.44 49.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 15.0 110.843 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -65.65 -37.89 87.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.092 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.212 -0.899 . . . . 15.0 110.836 -178.879 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -56.66 -39.7 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.772 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.24 40.98 60.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.56 -37.41 83.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.203 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.78 8.5 28.65 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.15 0.796 . . . . 15.0 113.15 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -58.91 -39.69 82.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.021 0.373 . . . . 15.0 111.082 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -58.9 -40.67 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.575 -0.284 . . . . 15.0 111.018 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -87.18 124.93 33.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.912 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 140.56 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.192 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.4 -42.46 0.23 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -118.64 143.82 46.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 15.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -95.81 11.19 34.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -58.73 -35.84 73.33 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.892 0.315 . . . . 15.0 111.428 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -66.96 133.42 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 15.0 110.609 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.2 tp -154.57 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.266 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.85 131.25 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 15.0 110.39 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -62.9 -39.97 96.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.014 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.91 122.48 47.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 15.0 110.742 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -130.52 146.21 52.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.829 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -142.52 160.1 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.084 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -142.98 -57.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.801 -0.36 . . . . 15.0 111.736 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -98.18 117.62 32.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.214 0.53 . . . . 15.0 112.02 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -149.0 147.28 28.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.509 -0.768 . . . . 15.0 109.803 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -110.1 126.86 54.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 90' ' ' LEU . 95.9 Cg_endo -88.33 124.2 1.67 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.22 124.1 44.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 15.0 110.501 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.79 -34.93 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.73 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.94 148.4 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 15.0 111.024 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 119' ' ' PHE . 7.9 tp -124.06 84.48 55.14 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.343 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.53 -23.84 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.519 1.479 . . . . 15.0 113.292 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 51.6 p90 -107.53 140.53 40.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.796 0.331 . . . . 15.0 110.72 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -92.39 16.59 11.43 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -56.04 -37.59 69.43 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.958 0.345 . . . . 15.0 110.848 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -60.51 133.45 56.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 15.0 111.072 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.2 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.516 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 124' ' ' LEU . 5.3 tt -118.29 79.22 14.76 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 110.538 -0.171 . . . . 15.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.58 121.53 10.01 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.422 1.415 . . . . 15.0 112.208 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 126' ' ' LEU . 9.4 tt -57.96 -40.2 80.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.559 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.92 -33.91 69.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.351 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.49 -32.37 30.78 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.009 -0.437 . . . . 15.0 112.009 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.0 m -113.28 146.23 39.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.829 0.347 . . . . 15.0 110.363 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.13 85.32 60.85 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.608 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.41 -33.19 80.3 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.28 1.32 . . . . 15.0 111.921 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.94 133.07 40.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.612 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -42.17 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.05 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 142.84 58.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.44 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.54 150.8 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.643 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -110.72 36.21 4.37 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.279 -0.728 . . . . 15.0 111.279 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -102.43 39.51 2.75 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.041 -0.824 . . . . 15.0 111.041 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.52 156.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 15.0 110.609 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.85 149.4 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.666 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.88 33.71 6.11 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.99 -39.17 80.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.691 0.281 . . . . 15.0 110.975 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 143' ' ' ASN . 6.9 t -55.75 -40.62 72.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.98 -178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' N ' HG23 ' A' ' 142' ' ' THR . 87.4 m-20 -103.3 125.17 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 15.0 110.598 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.84 -38.06 86.99 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.278 -0.729 . . . . 15.0 111.278 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.2 m -58.0 -39.65 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.668 0.27 . . . . 15.0 110.854 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.13 36.66 64.01 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.41 -0.676 . . . . 15.0 111.41 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -58.2 -38.24 76.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.642 0.258 . . . . 15.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.39 -35.17 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.372 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.99 -37.45 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.629 0.252 . . . . 15.0 111.24 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 152' ' ' PHE . 27.7 tp -96.09 127.06 41.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 15.0 110.575 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.62 -41.0 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.042 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.504 ' O ' HD23 ' A' ' 150' ' ' LEU . 67.7 t80 -95.66 132.39 40.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 15.0 110.647 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.502 -179.927 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -100.79 118.82 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.592 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.01 -177.5 50.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.986 -0.845 . . . . 15.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -156.45 69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.491 0.662 . . . . 15.0 110.454 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -56.97 -38.44 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.994 179.759 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -74.42 121.23 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 15.0 110.742 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -115.53 -49.08 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.621 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -58.7 -38.98 79.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.873 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.09 -41.9 84.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 15.0 110.389 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.37 32.0 57.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.262 -0.494 . . . . 15.0 111.948 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 t -143.87 130.27 19.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.019 0.409 . . . . 15.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -63.88 -36.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.128 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -116.39 135.35 53.93 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.047 0.451 . . . . 15.0 111.191 -177.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -63.92 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.801 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 tp -92.18 126.25 37.19 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.31 133.26 46.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.967 0.413 . . . . 15.0 111.107 -177.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.597 HG21 HD22 ' A' ' 114' ' ' LEU . 32.1 m -63.38 -34.61 78.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.284 176.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -51.69 -31.49 26.18 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -52.08 -36.83 51.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.625 0.25 . . . . 15.0 111.519 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 p -72.68 132.3 43.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 15.0 110.542 178.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.19 -36.42 77.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.286 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.5 133.93 40.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 15.0 110.743 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -91.33 10.08 28.89 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.079 0.77 . . . . 15.0 113.079 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -127.39 122.91 34.9 Favored 'General case' 0 C--O 1.231 0.102 0 O-C-N 122.049 -0.407 . . . . 15.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -107.65 131.75 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.283 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 87' ' ' ILE . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 77' ' ' SER . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD12 ' OD1' ' A' ' 91' ' ' ASN . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.504 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' A' ' 90' ' ' LEU . 97.3 Cg_endo -87.71 126.17 2.13 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 55' ' ' THR . 30.4 tp -58.91 -38.52 79.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -86.11 123.06 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 15.0 110.637 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 15.0 111.326 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.81 87.07 42.07 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.793 -0.185 . . . . 15.0 111.102 -176.166 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.48 156.44 14.17 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.205 1.27 . . . . 15.0 111.617 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -134.95 150.18 50.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.442 . . . . 15.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -103.75 22.97 13.51 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.956 -0.565 . . . . 15.0 112.393 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -56.2 -39.9 73.16 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.716 0.293 . . . . 15.0 110.854 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.5 p -59.21 -31.27 68.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.644 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 147.19 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.889 0.376 . . . . 15.0 110.567 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.61 86.37 52.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.44 -179.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.04 118.99 5.91 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.317 1.345 . . . . 15.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.75 -34.38 72.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.556 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.58 138.73 37.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 15.0 110.689 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.49 168.42 28.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.882 -0.887 . . . . 15.0 110.882 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -142.53 156.11 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 15.0 110.489 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.14 88.08 5.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.611 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -46.04 -58.82 1.45 Allowed 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.582 1.521 . . . . 15.0 112.554 179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.73 134.34 41.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.293 178.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.5 t -125.94 132.85 70.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.153 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 15.0 111.072 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.441 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -61.59 -34.02 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.324 . . . . 15.0 111.518 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.92 -120.76 8.16 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.847 -0.901 . . . . 15.0 110.847 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.86 135.25 51.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.865 . . . . 15.0 110.936 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.42 132.87 69.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 15.0 110.269 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -102.89 127.85 49.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.311 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.27 -38.72 95.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -118.03 130.88 56.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 15.0 110.572 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.642 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.57 126.31 52.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.613 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.7 -38.25 87.2 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.0 p -70.87 161.94 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 15.0 110.441 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 76.77 39.24 29.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.01 -0.836 . . . . 15.0 111.01 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.4 p -110.41 136.87 48.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.979 0.418 . . . . 15.0 110.866 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.64 -33.86 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.605 . . . . 15.0 111.676 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -79.52 9.22 5.13 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.25 0.833 . . . . 15.0 113.25 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 tp -104.29 130.95 52.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 118.082 0.401 . . . . 15.0 110.325 178.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -106.82 132.32 52.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.85 -37.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.015 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.745 -179.869 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.472 -0.566 . . . . 15.0 109.472 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.56 149.45 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.38 -11.37 59.89 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 121.196 -0.525 . . . . 15.0 113.238 -179.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -34.19 74.63 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.903 0.852 . . . . 15.0 111.406 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.16 -35.39 62.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.541 0.21 . . . . 15.0 111.446 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -98.73 122.55 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 15.0 110.686 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -160.01 26.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 15.0 112.186 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -61.14 -37.66 83.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.641 0.258 . . . . 15.0 111.144 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.51 -39.03 75.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 15.0 110.862 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.49 140.67 29.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.168 -0.773 . . . . 15.0 111.168 -179.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.6 p -146.1 161.38 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 15.0 110.417 179.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -143.67 90.83 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.926 0.393 . . . . 15.0 110.665 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -60.08 -31.93 70.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.879 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -54.05 -34.5 60.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.599 0.222 . . . . 15.0 111.599 -177.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.17 134.97 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.422 . . . . 15.0 110.847 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.35 134.72 47.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 15.0 109.858 178.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -95.41 23.59 5.82 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.566 0.58 . . . . 15.0 112.566 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -131.89 125.59 32.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.89 0.376 . . . . 15.0 110.583 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -111.35 126.92 55.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.506 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 t -112.94 137.59 51.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -135.58 137.04 41.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.708 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -108.07 126.32 52.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.193 177.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.74 -38.11 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 15.0 111.333 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.5 ptt-85 -148.98 161.04 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.1 -176.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.6 mp -107.12 133.53 51.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.961 -176.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD21 HD11 ' A' ' 110' ' ' ILE . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.512 HE22 HD11 ' A' ' 112' ' ' LEU . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 113' ' ' PRO . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.635 HD11 HD21 ' A' ' 67' ' ' LEU . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.512 HD11 HE22 ' A' ' 80' ' ' GLN . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.4 Cg_endo -88.79 66.8 2.82 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.5 tp -99.17 130.69 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.649 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -124.91 143.48 50.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -121.34 138.95 54.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.022 177.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.0 tp -129.78 79.55 73.19 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.354 -0.384 . . . . 15.0 110.819 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.75 127.92 28.16 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.323 1.349 . . . . 15.0 111.527 177.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -136.72 162.32 33.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.397 . . . . 15.0 110.913 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -160.05 65.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.461 0.648 . . . . 15.0 109.966 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -117.51 132.04 56.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.744 -178.795 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.7 p -64.34 -30.66 71.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.75 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.86 68.83 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.703 0.26 . . . . 15.0 111.703 -178.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 tp -114.11 85.49 10.3 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 110.603 -0.147 . . . . 15.0 110.603 -178.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -82.28 110.51 2.0 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.463 1.442 . . . . 15.0 111.889 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.479 HD23 ' C ' ' A' ' 126' ' ' LEU . 8.7 tt -100.66 127.85 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.566 -178.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.22 130.36 45.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.11 40.04 2.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.9 t -114.42 142.31 46.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.871 0.367 . . . . 15.0 110.501 -179.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.4 83.06 65.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.43 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -47.42 -31.35 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.476 1.451 . . . . 15.0 112.451 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.6 tp -98.31 130.44 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.535 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.57 134.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.09 -179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.99 149.15 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.507 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.39 152.06 44.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.575 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -112.33 34.39 5.19 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.617 -0.593 . . . . 15.0 111.617 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.91 -34.98 66.4 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.614 -0.595 . . . . 15.0 111.614 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.96 -33.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.53 75.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.628 0.251 . . . . 15.0 110.913 -177.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.55 44.86 62.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.944 -0.862 . . . . 15.0 110.944 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -53.86 -38.08 64.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.666 0.269 . . . . 15.0 111.35 -178.293 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 m -57.3 -41.51 79.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.482 -0.326 . . . . 15.0 110.754 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.28 -40.51 82.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.97 30.9 62.64 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.226 -0.511 . . . . 15.0 112.01 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.68 82.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.967 0.383 . . . . 15.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.4 144.96 46.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.207 -0.757 . . . . 15.0 111.207 -178.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.3 m -121.01 137.98 54.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 15.0 110.61 179.244 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.63 -37.19 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.296 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -101.35 101.59 12.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 15.0 110.666 -178.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.88 -35.94 82.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.323 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -120.55 143.21 48.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.971 0.415 . . . . 15.0 111.117 -177.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -76.27 -31.46 58.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.725 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.125 -0.941 . . . . 15.0 111.11 -179.108 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.12 -36.74 68.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.157 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.84 -34.57 57.25 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.695 -0.562 . . . . 15.0 111.695 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.21 -35.69 74.06 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.788 -0.243 . . . . 15.0 111.234 -179.114 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -103.45 126.85 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.733 0.301 . . . . 15.0 110.651 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -120.11 31.46 6.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.761 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -59.29 -36.85 76.33 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.135 -0.226 . . . . 15.0 111.28 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -82.03 118.25 22.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 15.0 110.69 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.35 -35.46 81.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.361 178.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.17 -34.22 46.88 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.836 -0.506 . . . . 15.0 111.836 -177.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -117.19 145.53 43.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 15.0 110.704 -178.519 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -145.18 92.01 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.281 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.1 p -61.04 -32.35 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 15.0 111.804 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -119.14 133.79 55.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.921 0.391 . . . . 15.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' ' 53' ' ' LEU . 6.5 mp -65.39 -36.51 84.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.25 178.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.66 143.07 27.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 15.0 110.671 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -134.32 151.29 51.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.83 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -104.68 22.19 15.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.073 -0.512 . . . . 15.0 112.33 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -55.18 -37.27 66.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.571 0.224 . . . . 15.0 111.115 -179.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -117.12 147.28 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -126.19 135.69 51.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.625 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -116.22 149.7 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.382 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -134.49 120.3 19.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 15.0 111.079 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -128.8 152.01 48.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.939 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.8 122.64 46.16 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.859 -0.337 . . . . 15.0 110.559 -178.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 76' ' ' LEU . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 111' ' ' ILE . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 67' ' ' LEU . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.419 HD12 HD11 ' A' ' 94' ' ' LEU . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 90' ' ' LEU . 76.1 Cg_endo -94.22 46.52 0.25 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.16 120.73 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 15.0 110.579 -178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -142.35 132.24 24.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.635 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -102.41 144.72 30.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.647 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.85 86.13 58.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.309 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.59 42.59 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.609 1.54 . . . . 15.0 112.492 -179.37 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.61 126.26 49.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 15.0 110.152 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.62 -36.4 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 15.0 111.437 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -88.92 133.08 34.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 15.0 110.552 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.2 p -121.38 139.87 52.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.9 72.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.428 177.247 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.32 102.41 18.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-O 119.033 -0.508 . . . . 15.0 110.457 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -43.22 -25.34 0.66 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.657 1.571 . . . . 15.0 113.369 177.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.9 tp -94.03 125.86 38.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.74 0.305 . . . . 15.0 110.229 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.75 -40.43 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.813 -178.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.06 -65.54 4.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -118.73 151.05 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 15.0 110.403 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -120.64 84.46 36.94 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.504 -179.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.14 123.43 8.3 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.366 1.377 . . . . 15.0 112.058 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.95 -37.99 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.87 135.34 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 15.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.6 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.652 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -148.21 152.59 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.85 -47.65 0.13 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.82 -0.912 . . . . 15.0 110.82 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.26 -37.21 3.49 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.296 -0.721 . . . . 15.0 111.296 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.82 132.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.4 95.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.758 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.95 60.77 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.542 -0.623 . . . . 15.0 111.542 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.98 -38.22 78.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.692 0.282 . . . . 15.0 111.058 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.2 m -54.89 -39.6 68.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.04 -177.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.57 151.33 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 15.0 110.509 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.83 20.81 49.23 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 121.241 -0.504 . . . . 15.0 112.701 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.4 p -64.52 -33.69 76.48 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 117.553 0.677 . . . . 15.0 111.61 179.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.63 144.2 31.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.194 -0.762 . . . . 15.0 111.194 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -131.36 140.69 49.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.719 0.295 . . . . 15.0 110.35 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.0 143.47 44.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.399 . . . . 15.0 110.601 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.25 4.36 48.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.122 0.786 . . . . 15.0 113.122 178.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.56 -37.06 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.187 0.448 . . . . 15.0 111.064 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.97 144.81 43.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.793 0.33 . . . . 15.0 110.503 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.21 161.16 35.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.444 -179.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.644 0.259 . . . . 1.76 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 1.29 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.41 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 0.22 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 0.18 110.926 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 2.91 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.35 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.32 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.43 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 0.4 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 0.42 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 0.36 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 1.64 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.27 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.13 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.49 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 1.85 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.15 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.41 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.13 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 0.29 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.29 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 0.27 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.2 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.15 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.499 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.15 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 1.83 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.32 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 0.31 111.486 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.44 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.48 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.52 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.36 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 0.34 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 1.82 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.15 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 0.25 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 0.21 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.25 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.21 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.21 110.81 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.24 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' HD21 ' A' ' 67' ' ' LEU . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 0.22 109.353 175.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 94' ' ' LEU . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.37 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.556 ' HD2' HD13 ' A' ' 90' ' ' LEU . 90.1 Cg_endo . . . . . 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.69 112.231 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.667 0.27 . . . . 15.0 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.425 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.478 HD21 ' CE2' ' A' ' 65' ' ' TYR . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 67' ' ' LEU . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 94' ' ' LEU . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.5 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 56.2 Cg_endo . . . . . 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp . . . . . 0 C--O 1.23 0.076 0 N-CA-C 110.193 -0.299 . . . . 15.0 110.193 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 76' ' ' LEU . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 101' ' ' MET . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 65' ' ' TYR . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.448 ' O ' HG21 ' A' ' 73' ' ' VAL . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.492 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.2 Cg_endo . . . . . 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 65' ' ' TYR . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.445 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 90' ' ' LEU . 88.0 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.739 0.304 . . . . 15.0 110.642 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.449 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.449 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 N--CA 1.46 0.041 0 N-CA-C 110.299 -0.26 . . . . 15.0 110.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.662 HG23 HE22 ' A' ' 109' ' ' GLN . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 HD11 ' A' ' 110' ' ' ILE . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 111' ' ' ILE . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.662 HE22 HG23 ' A' ' 66' ' ' THR . 93.7 mm-40 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HD21 ' A' ' 67' ' ' LEU . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 94' ' ' LEU . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 90' ' ' LEU . 72.4 Cg_endo . . . . . 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.621 0.248 . . . . 15.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 110' ' ' ILE . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 101' ' ' MET . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 65' ' ' TYR . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.441 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.459 ' O ' HG21 ' A' ' 73' ' ' VAL . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 67' ' ' LEU . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.418 ' HD2' HD13 ' A' ' 90' ' ' LEU . 70.9 Cg_endo . . . . . 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.775 0.322 . . . . 15.0 110.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HD2' ' A' ' 113' ' ' PRO . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' HD13 ' A' ' 90' ' ' LEU . 58.3 Cg_endo . . . . . 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 N--CA 1.46 0.072 0 N-CA-C 110.297 -0.26 . . . . 15.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 76' ' ' LEU . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' A' ' 65' ' ' TYR . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 111' ' ' ILE . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.608 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.1 Cg_endo . . . . . 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 110.073 -0.343 . . . . 15.0 110.073 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.64 ' OE2' HD13 ' A' ' 76' ' ' LEU . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' OE2' ' A' ' 71' ' ' GLU . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' OE1' HD12 ' A' ' 82' ' ' ILE . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' OE1' ' A' ' 80' ' ' GLN . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 113' ' ' PRO . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HD13 ' A' ' 90' ' ' LEU . 85.3 Cg_endo . . . . . 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.23 0.072 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 76' ' ' LEU . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 108' ' ' GLN . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 110.047 -0.353 . . . . 15.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.48 ' CE2' HD13 ' A' ' 76' ' ' LEU . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.48 HD13 ' CE2' ' A' ' 65' ' ' TYR . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 94' ' ' LEU . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.414 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.1 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 63' ' ' LEU . 7.7 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.634 0.254 . . . . 15.0 110.83 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CE2' HD21 ' A' ' 76' ' ' LEU . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 65' ' ' TYR . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 76' ' ' LEU . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 65' ' ' TYR . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' HD13 ' A' ' 90' ' ' LEU . 92.8 Cg_endo . . . . . 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 63' ' ' LEU . 8.3 tt . . . . . 0 N--CA 1.461 0.075 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 76' ' ' LEU . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.638 HD11 HD12 ' A' ' 111' ' ' ILE . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.487 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.423 HD11 HD21 ' A' ' 67' ' ' LEU . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 94' ' ' LEU . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.5 Cg_endo . . . . . 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.709 0.29 . . . . 15.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 110' ' ' ILE . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 65' ' ' TYR . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.691 HD11 HD12 ' A' ' 111' ' ' ILE . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 67' ' ' LEU . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.691 HD12 HD11 ' A' ' 94' ' ' LEU . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.4 Cg_endo . . . . . 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.09 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.1 Cg_endo . . . . . 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.438 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 94' ' ' LEU . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 90' ' ' LEU . 59.9 Cg_endo . . . . . 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 90' ' ' LEU . 95.9 Cg_endo . . . . . 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.46 0.065 0 N-CA-C 110.283 -0.266 . . . . 15.0 110.283 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 87' ' ' ILE . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 77' ' ' SER . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD12 ' OD1' ' A' ' 91' ' ' ASN . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.504 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' A' ' 90' ' ' LEU . 97.3 Cg_endo . . . . . 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.756 0.312 . . . . 15.0 110.961 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HE22 ' A' ' 109' ' ' GLN . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD21 HD11 ' A' ' 110' ' ' ILE . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.512 HE22 HD11 ' A' ' 112' ' ' LEU . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 113' ' ' PRO . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.621 HE22 HG23 ' A' ' 66' ' ' THR . 93.7 mm-40 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.635 HD11 HD21 ' A' ' 67' ' ' LEU . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.512 HD11 HE22 ' A' ' 80' ' ' GLN . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.4 Cg_endo . . . . . 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 120.711 0.291 . . . . 15.0 110.559 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 76' ' ' LEU . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 111' ' ' ILE . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 67' ' ' LEU . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.419 HD12 HD11 ' A' ' 94' ' ' LEU . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 90' ' ' LEU . 76.1 Cg_endo . . . . . 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 26.97 109.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.56 125.78 51.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 26.06 110.679 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.25 77.26 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.427 -0.669 . . . . 24.62 111.427 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.08 -33.75 72.51 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 122.79 -0.241 . . . . 23.58 111.479 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -54.37 -37.71 65.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.625 0.25 . . . . 24.17 111.202 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -110.93 131.47 55.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.794 0.331 . . . . 22.28 110.338 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -103.2 130.7 50.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.176 -0.465 . . . . 21.31 110.675 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -103.34 129.99 50.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 22.66 110.574 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.88 -38.06 86.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 21.5 111.0 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.43 144.23 17.79 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.878 -0.889 . . . . 19.04 110.878 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.9 t -124.22 132.21 53.58 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.835 0.35 . . . . 17.77 110.546 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -62.95 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 17.42 110.996 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -58.53 -38.02 76.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 15.74 111.115 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -86.11 129.37 34.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.733 0.301 . . . . 16.49 110.745 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -101.91 130.4 48.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 15.52 110.355 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.79 -37.6 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 13.92 111.26 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -58.4 -44.67 89.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.706 0.288 . . . . 12.29 111.105 -176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -60.47 -37.47 81.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 11.53 111.257 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.1 -38.33 68.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.595 -0.275 . . . . 9.76 111.18 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -61.12 -35.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.508 -0.315 . . . . 7.01 111.387 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.33 -41.48 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 8.37 110.825 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.49 -36.58 78.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 7.28 111.368 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -56.13 -41.43 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.067 -0.253 . . . . 3.38 111.154 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -136.43 132.31 35.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.313 . . . . 3.58 110.831 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 tp -115.34 126.2 54.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.293 -0.412 . . . . 1.76 110.467 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.39 131.74 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.401 -0.363 . . . . 1.29 110.729 177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -123.95 143.71 50.23 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 110.038 -0.356 . . . . 0.41 110.038 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -105.58 142.39 35.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.948 0.404 . . . . 0.22 111.001 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.15 126.58 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.841 -0.618 . . . . 0.18 110.926 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -119.52 147.63 44.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.114 -0.494 . . . . 2.91 110.574 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.49 135.28 45.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.35 111.215 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.84 -25.02 25.35 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-N 116.006 -0.543 . . . . 0.32 112.463 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.61 145.41 36.47 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.582 0.691 . . . . 0.43 110.305 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.8 p -114.21 160.89 18.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.288 0.566 . . . . 0.4 111.044 -177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.7 t -58.35 -42.49 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.004 -0.544 . . . . 0.42 109.983 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.59 -38.61 81.66 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 0.36 110.627 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.69 -43.91 93.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.98 0.419 . . . . 0.79 110.096 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.31 -43.5 88.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.162 0.506 . . . . 1.64 110.405 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.8 t -59.27 -42.22 90.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.27 111.176 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -63.58 -47.44 81.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.175 -0.466 . . . . 2.13 111.15 -178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -60.72 -42.85 98.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.49 110.901 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -75.72 -14.94 60.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.943 0.72 . . . . 1.85 112.943 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.4 t0 61.95 42.91 9.66 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.354 0.597 . . . . 1.15 110.204 -176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.5 146.39 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.679 -0.691 . . . . 0.41 109.694 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -75.9 136.11 40.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 1.13 110.712 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.5 mt -56.88 -36.89 70.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.449 . . . . 0.29 110.868 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -43.61 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.29 110.326 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -62.05 -44.93 95.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.073 0.463 . . . . 0.27 110.765 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.9 mt -57.91 -45.35 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.2 109.998 -178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -59.65 -46.75 88.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.69 111.268 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.4 p -54.63 -38.82 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.941 -0.304 . . . . 0.15 111.364 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.1 mt -72.45 -52.28 16.58 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.831 -0.348 . . . . 0.18 111.499 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.1 6.0 27.38 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.551 0.945 . . . . 0.15 113.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -52.13 -29.08 20.3 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.152 0.427 . . . . 1.83 112.152 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -72.32 -36.04 68.76 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.759 -0.376 . . . . 0.32 111.178 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -71.9 -43.05 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.005 -0.278 . . . . 0.31 111.486 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.06 147.88 37.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.09 0.472 . . . . 0.32 111.007 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.3 m -70.13 -41.22 74.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.744 -0.662 . . . . 0.44 111.902 -175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.81 169.99 21.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.48 111.609 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.57 -34.59 75.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.658 -0.701 . . . . 1.96 111.488 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -55.94 -42.92 76.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.52 110.866 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.85 -35.01 77.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.378 -0.374 . . . . 0.36 111.239 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -64.96 -45.99 83.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.896 0.379 . . . . 0.34 110.72 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.0 mmm -59.4 -37.97 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.481 -0.327 . . . . 1.82 111.193 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -91.01 15.68 11.05 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.789 0.662 . . . . 2.15 112.789 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.87 145.56 15.93 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.991 0.424 . . . . 0.25 111.25 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.88 169.44 10.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.809 -0.632 . . . . 0.21 110.722 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -59.45 146.2 95.71 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.503 1.468 . . . . 0.25 112.508 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.98 -16.95 53.74 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.713 -0.493 . . . . 0.21 113.296 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.79 158.3 19.4 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 117.868 0.834 . . . . 0.21 110.81 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.74 148.56 34.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.301 0.572 . . . . 1.24 111.366 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' CD1' HD21 ' A' ' 67' ' ' LEU . 88.4 mt -124.51 136.61 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.2 -0.909 . . . . 0.22 109.353 175.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 94' ' ' LEU . 67.2 mt -106.82 132.71 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.41 89.25 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.37 109.814 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.556 ' HD2' HD13 ' A' ' 90' ' ' LEU . 90.1 Cg_endo -92.86 113.13 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.784 1.656 . . . . 0.69 112.231 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 80.0 mt -96.19 138.33 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.368 . . . . 3.0 110.545 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -120.55 142.36 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 5.05 110.521 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -113.39 141.76 46.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.251 -0.431 . . . . 6.83 110.524 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.6 tp -128.15 83.82 65.03 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.126 -0.488 . . . . 7.2 110.27 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.79 -35.92 14.96 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.248 1.299 . . . . 9.33 112.021 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -105.55 130.65 53.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 10.64 110.64 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.18 -35.19 79.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 13.77 111.311 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -93.26 135.61 34.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.728 0.299 . . . . 14.7 110.474 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -111.57 134.97 52.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.983 0.42 . . . . 15.01 110.665 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.23 -33.57 75.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.576 . . . . 14.59 111.602 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.1 mt -118.96 86.5 31.48 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.802 -0.181 . . . . 15.71 110.838 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -83.22 124.94 3.87 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.586 1.524 . . . . 16.03 111.895 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 27.7 tp -99.39 129.38 45.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 17.48 110.734 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.2 tp -105.25 140.09 38.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.982 -0.554 . . . . 18.56 110.377 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.15 44.28 3.84 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.092 -0.803 . . . . 18.39 111.092 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m -56.72 -34.86 67.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.469 0.176 . . . . 19.85 111.36 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.57 85.81 27.55 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.846 -0.161 . . . . 20.04 110.577 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -71.0 -27.26 20.8 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 121.346 1.364 . . . . 21.07 112.655 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.78 -35.99 69.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.602 -0.272 . . . . 21.43 111.161 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.7 t -106.6 131.62 55.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.927 0.394 . . . . 22.26 110.136 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.04 85.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 23.38 111.146 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -59.26 146.5 39.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.781 0.324 . . . . 24.07 110.442 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.94 -173.92 25.99 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.969 -0.852 . . . . 25.52 110.969 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.61 -123.95 17.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.921 -0.872 . . . . 26.98 110.921 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.8 130.4 24.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.807 0.337 . . . . 27.27 110.616 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -152.9 157.71 41.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 28.49 110.785 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.65 -2.57 60.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 121.205 -0.521 . . . . 29.79 113.509 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -54.17 -34.75 61.2 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.11 0.955 . . . . 31.04 111.387 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 9.8 t -120.93 149.58 42.4 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.946 0.403 . . . . 32.95 110.905 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -117.19 154.6 30.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.64 110.406 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.81 35.08 29.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.571 -0.611 . . . . 34.94 111.571 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.5 m -58.98 -37.3 76.5 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.741 -0.27 . . . . 36.03 111.133 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -56.34 -35.13 64.56 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.738 -0.545 . . . . 36.11 111.738 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.5 p -59.19 -33.16 70.62 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.956 -0.297 . . . . 36.65 111.593 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -104.5 130.05 52.47 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.773 0.321 . . . . 37.02 110.551 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -60.61 -41.19 94.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 37.37 110.717 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.8 mt -108.49 132.69 53.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 38.73 110.604 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -62.2 -42.28 99.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 41.03 110.429 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -61.02 -38.98 88.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 40.72 111.026 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.011 -0.995 . . . . 42.06 110.603 -179.084 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -87.65 10.73 17.12 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.158 0.799 . . . . 15.0 113.158 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.82 126.92 2.99 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.015 -0.834 . . . . 15.0 111.015 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.32 -36.36 75.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.595 0.236 . . . . 15.0 111.19 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -55.33 -36.78 66.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.671 -0.24 . . . . 15.0 111.173 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -108.41 126.27 52.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.802 0.335 . . . . 15.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -142.59 150.87 40.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 15.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.12 17.43 24.09 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.623 0.601 . . . . 15.0 112.623 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -91.98 149.9 21.29 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.787 0.327 . . . . 15.0 110.617 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.81 37.09 10.64 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.519 -0.633 . . . . 15.0 111.519 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -120.2 131.86 55.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.35 . . . . 15.0 110.432 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -62.89 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.967 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.0 p -62.45 -31.77 72.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 15.0 111.835 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.85 -39.34 77.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.624 0.25 . . . . 15.0 110.896 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -100.83 125.91 47.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.956 0.407 . . . . 15.0 110.256 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.04 -33.4 75.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.899 -0.591 . . . . 15.0 111.897 -175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.1 t -122.64 151.96 40.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.927 0.394 . . . . 15.0 111.265 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -123.18 132.3 54.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.3 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.6 p-10 -66.75 -30.28 70.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 15.0 112.081 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.8 t -81.86 140.18 34.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 15.0 110.896 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -149.18 -42.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.958 -0.565 . . . . 15.0 110.492 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -109.07 124.08 50.2 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.197 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -57.37 -40.95 79.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.27 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -130.3 146.27 51.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.496 -0.32 . . . . 15.0 110.548 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.6 mt -100.76 129.03 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.962 -0.295 . . . . 15.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.39 130.98 43.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.36 -0.382 . . . . 15.0 110.966 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.3 t80 -119.19 139.29 52.09 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.446 -0.575 . . . . 15.0 109.446 174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.7 m -102.27 141.78 34.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.981 0.42 . . . . 15.0 111.125 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -85.49 129.29 34.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 15.0 110.872 178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -125.26 143.35 51.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.399 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.58 133.53 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 15.0 111.476 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.28 -28.2 11.35 Favored Glycine 0 CA--C 1.531 1.047 0 CA-C-N 115.986 -0.552 . . . . 15.0 112.191 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -109.83 144.15 38.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 117.34 0.57 . . . . 15.0 110.3 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.425 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.29 161.37 17.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.225 0.536 . . . . 15.0 110.861 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.12 -42.31 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 15.0 110.018 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 -38.94 81.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 15.0 110.667 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.425 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.3 m-20 -60.55 -44.67 95.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.914 0.388 . . . . 15.0 110.397 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.478 HD21 ' CE2' ' A' ' 65' ' ' TYR . 29.9 mt -58.59 -44.8 89.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.119 0.485 . . . . 15.0 110.463 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 t -59.91 -42.46 93.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.877 -0.601 . . . . 15.0 111.138 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -62.47 -46.15 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.38 -0.373 . . . . 15.0 110.943 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -61.84 -42.91 99.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 15.0 111.207 -177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -80.57 -0.95 40.02 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.492 0.923 . . . . 15.0 113.492 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t0 58.37 42.35 21.59 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.398 0.618 . . . . 15.0 110.413 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.3 mt -114.83 148.26 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.727 -0.669 . . . . 15.0 109.685 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.27 137.26 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.134 0.492 . . . . 15.0 110.804 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.86 -37.68 71.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.92 -42.99 91.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.898 0.38 . . . . 15.0 110.323 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.9 m -61.73 -44.91 95.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.7 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 74.4 mt -58.02 -44.87 87.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 15.0 109.951 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.75 -47.91 83.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 15.0 111.347 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.9 p -55.32 -38.88 69.29 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 15.0 111.34 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.9 mt -72.7 -53.26 12.21 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.896 -0.322 . . . . 15.0 111.737 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.39 6.85 31.68 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.656 0.984 . . . . 15.0 113.656 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.68 -30.22 21.14 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.026 -0.421 . . . . 15.0 112.104 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -75.22 -36.05 61.41 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.733 -0.387 . . . . 15.0 111.276 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 111' ' ' ILE . 82.1 mt -66.89 -41.37 87.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.635 0.255 . . . . 15.0 111.347 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.26 147.87 35.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.042 0.448 . . . . 15.0 110.943 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -71.67 -40.35 69.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.689 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -151.07 170.05 20.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.011 0.434 . . . . 15.0 111.448 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.83 -35.19 77.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.713 -0.676 . . . . 15.0 111.47 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -43.57 79.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.793 0.33 . . . . 15.0 110.851 -177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.9 -34.57 76.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.439 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -65.65 -50.48 64.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.82 0.343 . . . . 15.0 110.72 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.6 -36.66 79.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.455 -0.338 . . . . 15.0 111.55 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -92.11 16.18 11.86 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.774 0.657 . . . . 15.0 112.774 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 145.21 17.65 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.969 0.414 . . . . 15.0 111.153 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -124.96 169.35 11.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.633 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.9 Cg_exo -57.49 146.18 84.93 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.469 1.446 . . . . 15.0 112.489 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.23 -17.47 51.44 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-N 116.144 -0.48 . . . . 15.0 113.216 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.497 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.1 mt-30 -86.75 156.86 19.77 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 117.904 0.852 . . . . 15.0 110.728 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.15 150.0 32.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.219 0.533 . . . . 15.0 111.291 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 67' ' ' LEU . 83.0 mt -123.91 140.6 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.319 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.648 HD12 HD11 ' A' ' 94' ' ' LEU . 68.5 mt -106.74 131.63 56.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.926 0.393 . . . . 15.0 110.24 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.0 mt -118.33 96.83 50.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.823 -0.626 . . . . 15.0 110.132 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.5 Cg_endo -81.56 97.58 0.96 Allowed 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.327 1.351 . . . . 15.0 111.868 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.7 -37.37 73.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.18 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -79.47 141.07 37.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 15.0 110.792 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -110.96 152.47 26.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.0 110.375 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.3 tp -123.18 85.69 51.47 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.23 -36.21 16.63 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.493 1.462 . . . . 15.0 112.674 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -105.78 125.06 50.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.529 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.986 -0.552 . . . . 15.0 111.709 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.28 137.52 55.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 15.0 110.872 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.6 t -135.82 146.16 47.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.41 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.98 152.77 43.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.4 . . . . 15.0 110.662 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 mt -127.83 82.64 67.99 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.389 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.63 -52.87 7.33 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.454 1.436 . . . . 15.0 112.317 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.3 tp -99.78 129.73 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 15.0 110.536 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.0 tp -101.16 128.35 47.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.345 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -100.35 122.36 7.56 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.899 -0.88 . . . . 15.0 110.899 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -58.61 -35.87 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.225 -0.19 . . . . 15.0 111.366 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -84.88 112.71 44.93 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-O 118.692 -0.67 . . . . 15.0 110.503 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 134' ' ' ALA . 85.4 Cg_endo -88.04 113.27 0.8 Allowed 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.462 1.442 . . . . 15.0 112.172 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.6 tp -58.61 -38.05 77.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 15.0 111.048 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -60.19 -40.54 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.491 -0.322 . . . . 15.0 110.399 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.448 ' HB3' ' HG2' ' A' ' 131' ' ' PRO . . . -98.74 151.14 21.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 15.0 110.747 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -135.93 149.27 48.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.458 . . . . 15.0 110.662 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -108.33 38.28 3.4 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.159 -0.776 . . . . 15.0 111.159 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -54.71 -35.03 56.95 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.574 -0.61 . . . . 15.0 111.574 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.17 133.92 51.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.811 0.338 . . . . 15.0 110.096 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.24 142.29 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 15.0 110.556 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -98.17 31.38 8.05 Favored Glycine 0 CA--C 1.53 0.969 0 C-N-CA 121.036 -0.602 . . . . 15.0 111.874 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -119.9 130.67 54.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.993 0.396 . . . . 15.0 110.43 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -61.45 -39.34 90.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.885 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -91.66 165.42 13.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.391 . . . . 15.0 110.951 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.13 30.49 50.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 115.991 -0.549 . . . . 15.0 112.072 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -64.32 -33.06 74.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.957 0.378 . . . . 15.0 111.555 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -84.77 169.43 44.68 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.179 -0.768 . . . . 15.0 111.179 -178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.5 t -144.81 131.37 19.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.812 0.339 . . . . 15.0 110.651 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.25 -35.9 82.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.244 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -54.08 -34.66 60.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.61 -0.268 . . . . 15.0 111.456 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.0 tp -55.31 -38.29 68.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.637 0.256 . . . . 15.0 111.007 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -108.24 131.96 54.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.357 . . . . 15.0 110.474 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -102.84 132.35 49.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.023 -0.989 . . . . 15.0 110.554 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.454 -0.573 . . . . 15.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.75 -36.76 67.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 15.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.65 107.47 1.87 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.107 -0.797 . . . . 15.0 111.107 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.44 -34.29 77.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.526 0.203 . . . . 15.0 111.431 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -54.11 -35.7 62.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.766 -0.197 . . . . 15.0 111.458 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -82.11 106.31 13.91 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -69.99 -42.16 73.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.879 -174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.76 129.86 41.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 15.0 110.894 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.2 tp -105.77 129.96 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.346 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.57 -43.38 0.24 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.106 -0.798 . . . . 15.0 111.106 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.5 t -118.09 139.88 50.59 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.963 0.411 . . . . 15.0 110.726 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -147.41 -38.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.959 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -58.75 -36.35 74.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.261 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -56.94 -39.98 75.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.631 0.253 . . . . 15.0 110.748 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.46 -35.72 78.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.512 -0.313 . . . . 15.0 111.319 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.48 -35.18 71.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.681 -0.236 . . . . 15.0 111.442 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.5 p -117.13 158.4 24.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.895 0.379 . . . . 15.0 110.949 -177.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -130.0 138.66 50.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.369 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -111.57 123.42 50.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -146.69 146.04 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.532 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -130.28 138.51 50.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.355 -0.384 . . . . 15.0 110.503 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.05 148.86 41.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.536 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -146.33 169.32 19.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.952 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -128.43 149.1 50.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.263 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.0 tp -106.1 128.29 53.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 15.0 110.526 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.38 131.19 43.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.855 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -123.22 142.84 50.5 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -110.89 142.34 43.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.986 0.422 . . . . 15.0 111.154 -176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.1 mt -84.91 124.02 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.756 -0.656 . . . . 15.0 110.617 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -120.39 148.46 43.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.577 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.38 136.01 44.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 15.0 111.098 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.7 -26.69 17.08 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.008 -0.542 . . . . 15.0 112.256 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -107.4 144.59 34.09 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 117.443 0.622 . . . . 15.0 110.592 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.9 p -114.2 161.38 17.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.233 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.31 -44.49 84.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.462 -0.336 . . . . 15.0 110.286 -178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.36 96.82 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.839 -0.344 . . . . 15.0 110.865 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -61.51 -45.48 94.04 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 15.0 110.705 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -59.71 -43.9 93.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.004 0.431 . . . . 15.0 110.325 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -60.35 -42.31 95.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.149 -0.478 . . . . 15.0 111.074 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -62.35 -46.12 90.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.391 -0.368 . . . . 15.0 110.859 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.98 -43.48 98.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.217 -177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -79.09 -2.35 40.15 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.416 0.895 . . . . 15.0 113.416 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 59.33 42.04 18.8 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 121.311 0.577 . . . . 15.0 110.454 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -116.01 147.81 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.861 -0.609 . . . . 15.0 109.633 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -84.39 136.39 33.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 15.0 110.588 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -56.61 -38.19 71.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.806 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.5 -43.41 93.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 15.0 110.393 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.52 -44.35 97.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.103 0.478 . . . . 15.0 110.768 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -57.97 -45.56 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 15.0 110.006 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 36.1 t90 -60.02 -46.82 88.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.256 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -55.09 -39.86 69.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 15.0 111.453 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.4 mt -73.06 -53.15 11.82 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.822 -0.351 . . . . 15.0 111.656 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.85 7.86 25.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.541 0.941 . . . . 15.0 113.541 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -51.57 -28.46 14.02 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.183 0.438 . . . . 15.0 112.183 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -73.45 -35.92 65.81 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.814 -0.354 . . . . 15.0 111.312 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.8 -42.05 67.53 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.692 0.282 . . . . 15.0 111.529 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -112.61 147.82 35.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.998 0.428 . . . . 15.0 110.973 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -69.12 -41.95 76.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.971 -0.559 . . . . 15.0 111.731 -175.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.7 170.02 21.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 15.0 111.367 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.9 -34.6 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.65 . . . . 15.0 111.449 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.8 t -55.98 -44.29 78.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 15.0 110.873 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.59 -35.15 77.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 15.0 111.318 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.17 -46.65 79.98 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.814 0.34 . . . . 15.0 110.871 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.79 -37.85 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 15.0 111.319 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.95 15.23 11.83 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.824 0.676 . . . . 15.0 112.824 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.64 148.1 13.22 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.086 0.47 . . . . 15.0 111.182 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.16 169.09 12.38 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.76 -0.655 . . . . 15.0 110.592 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.43 146.22 84.38 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 121.548 1.498 . . . . 15.0 112.525 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.01 -15.86 51.01 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.256 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 154.31 21.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 117.974 0.887 . . . . 15.0 110.916 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.21 147.79 33.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.143 0.497 . . . . 15.0 111.209 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -125.62 136.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.414 -0.812 . . . . 15.0 109.431 176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.85 133.65 50.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.957 0.408 . . . . 15.0 110.263 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 mt -118.87 95.2 49.0 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.004 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 56.2 Cg_endo -74.08 110.96 3.19 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.286 1.324 . . . . 15.0 112.072 178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.5 tp -101.47 128.05 47.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 15.0 110.46 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -106.27 123.02 47.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.372 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -61.58 -35.56 78.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.268 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 117' ' ' LEU . 4.7 tt -118.55 82.48 19.67 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.791 -0.186 . . . . 15.0 110.66 -177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.39 109.55 0.48 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.326 1.351 . . . . 15.0 111.86 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -102.0 125.56 48.71 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.91 -0.404 . . . . 15.0 109.91 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.81 -36.42 81.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 15.0 111.904 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -107.68 143.12 36.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.952 0.406 . . . . 15.0 111.288 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 99.8 p -113.95 138.69 50.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.297 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.72 -34.99 70.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 15.0 111.608 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.8 mt -120.99 87.76 43.9 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.728 -0.215 . . . . 15.0 111.069 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.41 109.96 1.71 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.255 1.303 . . . . 15.0 111.729 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.52 -36.1 73.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 15.0 111.254 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.1 tp -55.89 -38.34 70.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.622 0.249 . . . . 15.0 111.002 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -66.92 149.0 51.0 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.08 -0.808 . . . . 15.0 111.08 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.0 p -135.21 157.18 47.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.755 0.312 . . . . 15.0 110.501 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.76 83.33 66.52 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.584 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -76.59 114.97 3.97 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.363 1.375 . . . . 15.0 112.039 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.8 mt -96.74 134.22 40.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 15.0 110.71 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.8 t -65.24 -40.61 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 15.0 110.346 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.55 -36.18 75.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.362 -0.381 . . . . 15.0 111.287 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.36 144.34 50.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.812 0.339 . . . . 15.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 178.76 -116.39 0.53 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 15.0 110.964 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 78.27 38.89 24.45 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.152 -0.779 . . . . 15.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.0 t -111.58 133.75 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.875 0.369 . . . . 15.0 110.016 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -106.49 148.42 28.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.65 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 154.06 -54.14 0.44 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.089 -0.805 . . . . 15.0 111.089 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -55.49 -38.64 69.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.699 0.285 . . . . 15.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 142' ' ' THR . 9.9 t -69.33 122.3 18.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 15.0 110.879 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.2 -33.98 71.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 15.0 111.525 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -54.46 -37.43 60.36 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.548 -0.621 . . . . 15.0 111.548 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 99.5 p -61.97 -34.35 75.98 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.971 -0.291 . . . . 15.0 111.466 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -65.36 121.84 21.68 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.039 -0.824 . . . . 15.0 111.039 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -59.67 -37.2 78.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.617 0.246 . . . . 15.0 111.121 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -99.43 138.42 36.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.818 0.342 . . . . 15.0 110.643 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -117.21 129.6 56.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.482 . . . . 15.0 110.833 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.449 ' C ' HD23 ' A' ' 150' ' ' LEU . 9.3 tt -60.56 -40.29 91.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.76 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -116.79 130.13 56.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.027 0.441 . . . . 15.0 110.722 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.3 -45.6 83.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 15.0 111.317 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 118.486 -0.769 . . . . 15.0 110.93 -177.486 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.343 -0.614 . . . . 15.0 109.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.36 -37.92 70.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 111.075 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.62 -35.62 3.9 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.514 -0.635 . . . . 15.0 111.514 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -55.85 -31.54 62.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.738 0.273 . . . . 15.0 111.738 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -52.3 -34.82 48.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.606 0.225 . . . . 15.0 111.606 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -112.04 120.27 41.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.897 0.38 . . . . 15.0 110.516 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -88.2 -14.44 38.55 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.953 0.723 . . . . 15.0 112.953 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -56.01 -41.97 75.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 117.96 0.346 . . . . 15.0 110.881 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.6 mp -107.97 147.84 30.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.473 -0.331 . . . . 15.0 110.593 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.02 52.29 3.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.489 -0.645 . . . . 15.0 111.489 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.1 m -117.98 133.39 55.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.887 0.375 . . . . 15.0 110.465 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -70.75 -39.16 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.208 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -65.06 147.49 53.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.987 0.422 . . . . 15.0 111.09 -176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -103.39 23.38 12.63 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.884 -0.598 . . . . 15.0 112.118 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.6 tp -57.74 -35.22 70.41 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 122.348 -0.22 . . . . 15.0 111.254 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.8 mt -54.25 -34.68 61.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.778 -0.192 . . . . 15.0 111.426 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -112.6 150.64 31.09 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.899 0.38 . . . . 15.0 110.526 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -160.05 -41.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.636 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.68 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.327 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -107.18 148.0 29.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.848 0.356 . . . . 15.0 110.857 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -143.59 158.48 43.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.563 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -135.72 121.19 19.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.507 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -160.09 -67.39 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.378 178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -129.18 147.54 51.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.274 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.8 tp -102.53 123.22 45.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.512 -0.313 . . . . 15.0 110.193 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -96.48 130.94 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.399 -0.364 . . . . 15.0 111.11 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 76' ' ' LEU . 50.8 t80 -122.45 141.81 51.22 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.525 -0.546 . . . . 15.0 109.525 174.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.4 m -107.74 142.26 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 15.0 111.086 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -85.94 130.09 34.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.751 -0.659 . . . . 15.0 110.884 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -125.65 145.46 50.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.927 -0.578 . . . . 15.0 110.473 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 135.13 33.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.022 0.439 . . . . 15.0 111.493 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.27 -27.82 13.19 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 115.916 -0.584 . . . . 15.0 112.064 -178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -108.69 144.25 36.71 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 117.316 0.558 . . . . 15.0 110.586 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -114.17 167.16 10.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 15.0 109.915 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 101' ' ' MET . 50.4 t -56.71 -43.96 80.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.677 0.275 . . . . 15.0 110.402 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.44 97.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.423 -0.353 . . . . 15.0 110.787 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -60.97 -45.19 95.79 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.622 -178.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 65' ' ' TYR . 32.8 tp -59.77 -43.63 94.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.316 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.9 t -60.33 -40.92 92.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.099 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -62.18 -46.33 89.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.445 -0.343 . . . . 15.0 110.907 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -61.53 -43.45 98.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.872 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -8.28 56.43 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.269 0.841 . . . . 15.0 113.269 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 60.42 42.52 14.49 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.454 0.645 . . . . 15.0 110.491 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.8 mt -115.11 146.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.69 -0.687 . . . . 15.0 109.599 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -78.59 135.82 37.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.046 0.45 . . . . 15.0 110.816 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.02 -37.6 71.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.775 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.0 -43.77 91.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.908 0.385 . . . . 15.0 110.39 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.1 m -62.2 -45.16 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.063 0.459 . . . . 15.0 110.834 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.09 -45.22 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.986 0.422 . . . . 15.0 110.044 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 33.9 t90 -59.97 -47.53 85.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.012 -0.54 . . . . 15.0 111.337 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.46 -38.79 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.939 -0.305 . . . . 15.0 111.376 -176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.53 -53.03 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.8 -0.36 . . . . 15.0 111.787 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -89.49 7.13 37.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.873 1.064 . . . . 15.0 113.873 -173.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -52.95 -28.2 22.53 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.262 0.483 . . . . 15.0 111.897 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -75.22 -36.14 61.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.773 -0.371 . . . . 15.0 111.225 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -67.34 -41.62 84.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.655 0.264 . . . . 15.0 111.266 -179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -112.23 147.92 35.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.035 0.445 . . . . 15.0 110.975 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.9 m -68.38 -41.54 80.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 15.0 111.611 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -152.63 170.05 21.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.005 0.431 . . . . 15.0 111.223 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.2 -34.52 75.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.812 -0.631 . . . . 15.0 111.458 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 t -56.52 -44.42 80.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.766 0.317 . . . . 15.0 110.769 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.36 -34.57 75.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.456 -0.338 . . . . 15.0 111.311 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.448 ' O ' HG21 ' A' ' 73' ' ' VAL . 87.6 mtp -65.22 -50.51 65.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 15.0 110.686 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.62 -36.85 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.329 . . . . 15.0 111.5 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.76 16.17 11.33 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.64 0.607 . . . . 15.0 112.64 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.13 147.03 13.62 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 121.053 0.454 . . . . 15.0 111.162 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.425 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.93 169.37 9.51 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.736 -0.665 . . . . 15.0 110.656 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.1 Cg_exo -57.4 146.15 84.54 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.467 1.444 . . . . 15.0 112.411 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.33 -16.57 55.14 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 119.673 -0.515 . . . . 15.0 113.311 177.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.492 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.74 154.69 20.75 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 117.964 0.882 . . . . 15.0 110.647 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.76 150.16 31.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 15.0 111.379 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.2 mt -123.29 135.35 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.302 -0.863 . . . . 15.0 109.157 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.99 134.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.928 0.394 . . . . 15.0 110.364 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.85 90.04 39.69 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.924 -0.58 . . . . 15.0 109.818 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.2 Cg_endo -90.41 107.42 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.705 1.603 . . . . 15.0 112.271 178.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -99.6 137.85 37.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.65 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -91.28 8.85 33.95 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.083 0.772 . . . . 15.0 113.083 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -58.08 -34.71 70.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.05 0.386 . . . . 15.0 111.446 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.5 tp -103.95 88.88 2.1 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-O 119.619 -0.229 . . . . 15.0 110.616 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.72 163.51 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.19 1.26 . . . . 15.0 111.778 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -137.59 160.14 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.771 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -140.81 -51.38 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 15.0 110.492 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -60.58 -40.65 92.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 15.0 110.847 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.8 m -57.06 -35.86 69.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.369 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.12 142.3 47.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 15.0 110.466 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 124' ' ' LEU . 5.0 tt -128.96 80.35 72.95 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.623 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.22 105.74 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.274 1.316 . . . . 15.0 111.804 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 25.3 tp -98.66 126.29 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 15.0 110.459 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.54 -38.67 88.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 15.0 111.051 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -57.49 142.13 43.42 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.6 m -122.34 149.43 43.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 15.0 110.629 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -123.72 82.45 54.54 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.228 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.64 91.9 1.12 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 121.479 1.453 . . . . 15.0 112.353 -178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.51 -37.72 73.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.878 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.09 -38.83 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 15.0 110.348 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -56.16 -31.78 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.633 0.234 . . . . 15.0 111.633 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.96 125.31 23.25 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 15.0 110.769 -178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.03 -34.96 91.38 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.571 -0.612 . . . . 15.0 111.571 178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -52.79 -35.13 46.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.769 -0.532 . . . . 15.0 111.769 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -115.24 133.89 60.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.12 155.24 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.752 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.36 122.64 2.24 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -120.14 131.21 54.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.862 0.363 . . . . 15.0 110.361 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.9 m -61.9 -39.34 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.819 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -111.48 160.04 17.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.845 0.355 . . . . 15.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -137.27 39.56 1.61 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.054 -0.819 . . . . 15.0 111.054 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 m -65.5 155.12 36.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 15.0 110.75 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 77.73 31.54 49.14 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 116.093 -0.503 . . . . 15.0 111.96 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.1 p -62.8 -34.63 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.039 0.42 . . . . 15.0 111.317 178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.13 137.51 48.7 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.796 0.331 . . . . 15.0 110.567 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.17 124.66 50.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.358 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.43 -37.01 81.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.162 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -57.5 -40.82 79.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.71 0.291 . . . . 15.0 110.739 -178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -100.76 131.69 46.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.386 -0.37 . . . . 15.0 110.597 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.995 -1.002 . . . . 15.0 110.502 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.7 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.328 -0.619 . . . . 15.0 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -55.96 -37.4 68.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.142 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.4 114.42 2.76 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.963 -0.855 . . . . 15.0 110.963 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -108.17 129.13 55.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.689 0.28 . . . . 15.0 110.523 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -160.0 15.41 0.14 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.915 0.709 . . . . 15.0 112.915 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -67.77 -36.56 80.7 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 117.941 0.337 . . . . 15.0 111.382 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -59.31 -36.06 74.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.297 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.3 -40.77 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.683 0.277 . . . . 15.0 110.651 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' H ' HD12 ' A' ' 47' ' ' LEU . 6.5 mp -64.17 -38.75 92.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.28 -37.82 88.31 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.379 -0.688 . . . . 15.0 111.379 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.9 m -58.42 -35.15 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.63 0.253 . . . . 15.0 111.529 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -56.01 -37.46 69.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.658 -0.246 . . . . 15.0 111.239 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -118.65 144.99 45.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.923 0.392 . . . . 15.0 111.059 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -128.05 130.12 47.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.288 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.27 -39.16 92.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 15.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.8 tp -109.75 126.81 54.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 15.0 110.18 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 56' ' ' HIS . 7.5 t -60.99 -42.55 98.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.582 -175.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 55' ' ' THR . 39.8 m80 -114.24 135.4 54.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.737 0.304 . . . . 15.0 110.58 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -139.18 103.97 4.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.718 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.0 m -124.47 142.16 51.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.458 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -125.97 134.78 51.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.454 . . . . 15.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -105.18 114.52 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.185 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -135.98 142.97 44.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.811 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -129.36 139.54 51.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 15.0 110.059 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -106.65 124.54 49.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.664 0.268 . . . . 15.0 110.383 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -96.35 129.98 43.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.734 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.9 t80 -123.87 143.59 50.26 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.489 -0.559 . . . . 15.0 109.489 175.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -113.09 142.42 45.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 15.0 111.074 -176.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.5 mt -86.09 128.83 34.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.804 -0.635 . . . . 15.0 110.802 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -127.47 144.76 51.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 15.0 110.379 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.37 134.69 34.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 15.0 111.452 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.17 -27.96 11.83 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-N 116.016 -0.538 . . . . 15.0 112.127 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.46 145.05 33.54 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 117.28 0.54 . . . . 15.0 110.467 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.6 p -114.15 162.27 16.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.16 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.65 -43.99 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 15.0 110.216 -178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.29 93.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 15.0 110.752 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -61.05 -45.6 94.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 15.0 110.595 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' A' ' 65' ' ' TYR . 25.8 tp -59.78 -43.57 94.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 15.0 110.269 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 t -60.07 -41.72 93.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.125 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -62.36 -46.2 89.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.392 -0.367 . . . . 15.0 111.036 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.2 t -61.75 -43.69 98.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 15.0 111.092 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -77.3 -5.02 47.91 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.344 0.868 . . . . 15.0 113.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.7 t70 59.43 42.43 17.85 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.413 0.625 . . . . 15.0 110.431 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.49 145.43 20.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.82 -0.627 . . . . 15.0 109.619 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -79.36 135.66 36.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.078 0.466 . . . . 15.0 110.634 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.95 -37.99 72.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.831 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.11 -43.33 91.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.826 0.346 . . . . 15.0 110.46 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.3 m -61.86 -45.05 95.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.014 0.435 . . . . 15.0 110.748 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.08 -45.23 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 15.0 110.018 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.3 t90 -60.1 -47.9 83.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.039 -0.528 . . . . 15.0 111.318 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.2 p -55.35 -39.28 69.85 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.909 -0.317 . . . . 15.0 111.43 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 113' ' ' PRO . 79.4 mt -73.6 -53.16 11.13 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.839 -0.344 . . . . 15.0 111.787 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.445 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.5 m-80 -87.24 7.08 30.02 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.581 0.956 . . . . 15.0 113.581 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.51 -29.57 17.13 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.026 -0.421 . . . . 15.0 112.125 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -75.34 -36.34 61.05 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.788 -0.365 . . . . 15.0 111.209 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.0 mt -66.32 -40.8 90.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.646 0.26 . . . . 15.0 111.288 -178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.22 147.91 32.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.983 0.421 . . . . 15.0 110.893 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.5 m -73.78 -39.69 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.679 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.1 p -150.75 170.05 20.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.052 0.453 . . . . 15.0 111.299 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -64.7 -35.08 79.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.793 -0.639 . . . . 15.0 111.298 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.32 -41.98 76.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 15.0 110.766 -177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.88 -35.23 77.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.406 -0.361 . . . . 15.0 111.284 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.93 -47.99 75.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.885 0.374 . . . . 15.0 110.735 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.78 -37.44 79.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.41 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -92.17 16.28 11.76 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.737 0.643 . . . . 15.0 112.737 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.05 144.38 15.36 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.018 0.437 . . . . 15.0 111.404 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.415 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.19 169.34 12.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.757 -0.656 . . . . 15.0 110.698 -178.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.415 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 35.3 Cg_exo -58.45 146.29 91.0 Favored 'Trans proline' 0 N--CA 1.497 1.712 0 C-N-CA 121.487 1.458 . . . . 15.0 112.427 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.84 -16.18 51.28 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 116.02 -0.536 . . . . 15.0 113.243 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.506 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.68 155.05 20.55 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 117.999 0.899 . . . . 15.0 110.789 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -111.17 150.17 29.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.254 0.549 . . . . 15.0 111.249 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.5 mt -126.43 137.86 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.393 -0.821 . . . . 15.0 109.427 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.6 mt -106.77 132.71 53.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 15.0 110.129 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.5 mt -117.0 94.12 43.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 15.0 110.096 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' HD2' HD13 ' A' ' 90' ' ' LEU . 88.0 Cg_endo -84.63 102.84 0.87 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 121.478 1.452 . . . . 15.0 111.93 176.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.19 -38.55 76.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.012 -178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.68 138.88 37.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 15.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -109.87 135.83 50.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.628 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 119' ' ' PHE . 19.1 tp -102.18 136.07 19.51 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-O 118.868 -0.587 . . . . 15.0 109.477 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -86.98 -28.74 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.504 1.47 . . . . 15.0 112.866 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 117' ' ' LEU . 51.2 p90 -107.38 132.8 52.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.954 0.406 . . . . 15.0 110.865 -178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -114.0 142.67 45.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.387 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -115.8 128.28 55.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.001 0.429 . . . . 15.0 110.754 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.6 p -67.35 -26.71 66.62 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.204 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.37 144.13 21.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.007 0.432 . . . . 15.0 111.221 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 57.2 mt -126.49 85.87 59.45 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.879 -0.601 . . . . 15.0 110.21 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -60.64 -44.89 23.83 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 121.355 1.37 . . . . 15.0 112.092 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 79.1 mt -94.57 134.75 36.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 15.0 110.521 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.6 tp -108.88 131.14 55.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.677 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -149.87 117.39 0.85 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.741 -0.943 . . . . 15.0 110.741 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -141.6 158.01 44.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.966 0.412 . . . . 15.0 110.88 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.89 85.18 60.87 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 115.846 -0.616 . . . . 15.0 109.965 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.26 -41.43 22.22 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.501 1.468 . . . . 15.0 113.051 -177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.82 -38.62 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.484 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.5 t -119.61 126.91 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-O 120.917 0.389 . . . . 15.0 110.62 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.13 112.39 24.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.5 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.8 95.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.689 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.08 29.13 63.11 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 121.363 -0.446 . . . . 15.0 112.201 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -59.78 -37.96 93.23 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.5 t -117.93 132.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.832 0.349 . . . . 15.0 110.127 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.62 ' O ' HG22 ' A' ' 142' ' ' THR . . . -102.19 129.5 48.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 15.0 110.333 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.25 -29.57 74.88 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 116.292 -0.413 . . . . 15.0 112.419 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -51.46 -38.62 54.69 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.035 0.383 . . . . 15.0 112.035 -174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 139' ' ' ALA . 9.3 t -60.47 -38.83 85.49 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.863 -0.335 . . . . 15.0 111.098 -177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -108.56 119.67 40.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 15.0 110.69 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -104.25 35.7 4.87 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.431 -0.668 . . . . 15.0 111.431 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.2 p -61.34 -32.7 72.59 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 122.758 -0.26 . . . . 15.0 111.654 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.7 67.32 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.511 -0.636 . . . . 15.0 111.511 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.8 p -60.56 -31.98 71.08 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.12 -36.41 77.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.592 0.234 . . . . 15.0 111.254 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -57.47 -36.67 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.661 -0.245 . . . . 15.0 111.335 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.72 -38.86 79.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.675 0.274 . . . . 15.0 111.084 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -64.12 -34.09 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.43 -0.35 . . . . 15.0 111.539 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -56.08 -41.5 75.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.821 0.343 . . . . 15.0 110.802 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.535 179.548 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.111 -0.699 . . . . 15.0 109.111 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -87.56 9.15 22.05 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.184 0.809 . . . . 15.0 113.184 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.57 -37.44 75.69 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.401 -0.68 . . . . 15.0 111.401 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.12 -34.83 68.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.201 -0.2 . . . . 15.0 111.397 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -54.75 -37.88 66.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.56 0.219 . . . . 15.0 111.199 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -116.5 130.42 56.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.902 0.382 . . . . 15.0 110.724 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.8 -40.1 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.95 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -55.6 -36.07 66.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.195 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -78.24 149.29 33.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 15.0 110.634 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.19 31.75 18.99 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 116.014 -0.539 . . . . 15.0 112.014 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.3 p -63.33 -30.75 71.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.893 0.347 . . . . 15.0 111.801 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -55.5 -35.18 65.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.597 0.237 . . . . 15.0 111.596 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -56.07 -29.39 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.082 0.401 . . . . 15.0 112.082 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -72.97 128.04 34.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.956 0.407 . . . . 15.0 110.747 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.33 -33.9 76.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.575 . . . . 15.0 111.597 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.4 tp -54.21 -35.62 62.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.541 0.21 . . . . 15.0 111.405 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.0 p -55.98 -35.87 67.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.154 -0.218 . . . . 15.0 111.376 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 15.0 110.744 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -160.0 141.58 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.573 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.1 m -120.45 142.8 48.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.403 -0.362 . . . . 15.0 110.348 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -112.52 -37.83 4.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.245 -0.434 . . . . 15.0 111.238 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -94.17 137.84 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 15.0 111.02 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -113.26 139.18 49.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 15.0 110.41 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ptt-85 -148.95 155.11 40.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -109.97 132.06 54.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.642 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.3 132.27 41.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.366 . . . . 15.0 110.947 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -120.67 140.75 51.15 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.484 -0.562 . . . . 15.0 109.484 174.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.6 m -105.11 142.44 34.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.039 0.447 . . . . 15.0 111.132 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -85.46 120.67 27.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.77 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -110.27 148.18 32.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.331 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.88 134.03 48.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.856 0.36 . . . . 15.0 111.083 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.09 32.76 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-N 116.103 -0.499 . . . . 15.0 112.661 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -106.95 141.52 38.04 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 117.672 0.736 . . . . 15.0 110.375 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.449 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.2 p -114.3 159.33 20.32 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.265 0.555 . . . . 15.0 110.896 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -58.37 -42.01 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.02 -0.536 . . . . 15.0 109.989 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.49 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.429 -0.351 . . . . 15.0 110.671 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 82.5 m-20 -59.79 -45.26 92.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.048 0.452 . . . . 15.0 110.225 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.19 -43.2 92.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 15.0 110.589 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -59.37 -41.66 89.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 15.0 111.156 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -63.78 -46.91 83.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.16 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -60.16 -42.88 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.788 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -75.67 -14.93 60.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.965 0.728 . . . . 15.0 112.965 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 t70 61.51 43.17 10.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.366 0.603 . . . . 15.0 110.268 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.4 mt -117.52 147.42 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.57 -0.741 . . . . 15.0 109.635 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -75.36 137.0 40.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.016 0.436 . . . . 15.0 110.797 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.6 mt -56.72 -36.41 69.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.899 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 t -58.67 -43.25 89.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.953 0.406 . . . . 15.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.169 0.509 . . . . 15.0 110.633 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -57.8 -44.43 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 15.0 109.999 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -59.92 -46.07 90.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.288 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 p -54.71 -38.63 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.909 -0.316 . . . . 15.0 111.257 -176.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.5 mt -71.56 -53.27 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.929 0.395 . . . . 15.0 111.352 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.3 10.1 18.27 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -51.29 -29.45 14.87 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.129 0.418 . . . . 15.0 112.129 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -72.41 -35.98 68.52 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.806 -0.358 . . . . 15.0 111.289 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.527 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -71.71 -44.56 63.95 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.07 -0.252 . . . . 15.0 111.474 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -117.44 147.84 42.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.997 0.427 . . . . 15.0 110.809 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.5 m -77.96 -38.98 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.919 -0.582 . . . . 15.0 112.088 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.3 p -152.26 170.02 21.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.157 0.504 . . . . 15.0 111.828 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -60.67 -35.22 75.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.541 -0.754 . . . . 15.0 111.447 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -45.68 78.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.955 0.407 . . . . 15.0 110.87 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.68 -34.5 75.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 15.0 111.371 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.0 mtp -64.64 -47.72 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.911 0.386 . . . . 15.0 110.694 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.5 mtt -60.0 -36.85 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.473 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -90.9 15.41 11.41 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.796 0.665 . . . . 15.0 112.796 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.91 145.65 19.52 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.024 0.44 . . . . 15.0 111.065 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.02 167.61 16.42 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.562 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -60.13 146.18 96.8 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.499 1.466 . . . . 15.0 112.36 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.32 -13.92 54.82 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-O 119.723 -0.487 . . . . 15.0 113.396 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.76 158.01 19.48 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 118.037 0.918 . . . . 15.0 110.82 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -112.24 149.22 32.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.256 0.551 . . . . 15.0 111.254 -177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 86.6 mt -124.38 139.65 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.26 -0.882 . . . . 15.0 109.264 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.85 133.47 51.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.952 0.406 . . . . 15.0 110.327 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.8 94.91 42.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.619 . . . . 15.0 109.708 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 122.87 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 121.219 1.28 . . . . 15.0 112.093 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.79 -38.32 78.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 15.0 110.983 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -87.77 122.54 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 15.0 110.742 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -108.68 26.07 10.98 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.116 -0.493 . . . . 15.0 112.103 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -126.28 81.74 66.81 Favored Pre-proline 0 CA--C 1.535 0.37 0 O-C-N 122.337 -0.227 . . . . 15.0 110.683 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -55.17 120.48 8.26 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.309 1.339 . . . . 15.0 111.814 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -61.42 -37.61 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 15.0 111.097 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.54 142.26 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 15.0 110.532 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -112.83 32.53 5.61 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.38 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.5 p -61.96 -33.97 75.27 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.118 -0.233 . . . . 15.0 111.471 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.88 140.57 55.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.841 0.353 . . . . 15.0 110.716 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -130.66 81.65 66.99 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.325 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.4 114.49 1.97 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.376 1.384 . . . . 15.0 112.24 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.5 mt -99.38 135.15 41.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 15.0 110.682 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.3 mt -103.72 140.13 38.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.112 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -123.94 120.45 4.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.766 . . . . 15.0 111.186 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -59.14 -34.48 72.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.558 0.218 . . . . 15.0 111.39 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -113.3 88.15 12.3 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-O 119.622 -0.228 . . . . 15.0 110.544 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -61.76 121.0 8.9 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 121.353 1.369 . . . . 15.0 111.996 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.59 -34.66 73.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 15.0 111.373 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.8 p -122.7 137.54 55.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 15.0 110.453 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.43 75.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.886 -0.597 . . . . 15.0 111.188 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.43 86.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 15.0 110.94 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.34 -177.2 48.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.95 -0.86 . . . . 15.0 110.95 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.37 129.75 6.19 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.38 158.23 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.754 0.311 . . . . 15.0 110.315 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.52 153.76 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 15.0 110.665 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -136.45 41.49 1.41 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.811 -0.916 . . . . 15.0 110.811 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -111.21 134.67 52.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.899 0.381 . . . . 15.0 110.665 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 59.0 p -67.67 -32.69 73.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.534 . . . . 15.0 111.587 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -65.36 166.58 9.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.801 0.334 . . . . 15.0 110.581 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.87 36.31 22.49 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.477 -0.649 . . . . 15.0 111.477 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 51.1 m -64.94 155.93 32.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.793 0.33 . . . . 15.0 110.542 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -135.53 126.62 4.02 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.969 -0.853 . . . . 15.0 110.969 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -58.85 -36.54 74.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.545 0.212 . . . . 15.0 111.181 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.06 128.88 38.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 15.0 110.821 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -65.45 -38.21 89.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 15.0 110.982 177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 152' ' ' PHE . 27.0 tp -98.46 127.44 44.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.437 -0.347 . . . . 15.0 110.245 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -62.92 -35.69 80.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 15.0 111.511 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.45 ' O ' HD23 ' A' ' 150' ' ' LEU . 98.8 m-85 -110.45 147.49 33.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 15.0 110.655 -178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.007 -0.997 . . . . 15.0 110.537 179.848 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.3 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -57.35 -31.8 66.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 15.0 111.751 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.08 -36.0 60.53 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.543 -0.623 . . . . 15.0 111.543 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.92 -34.63 74.99 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.771 -0.252 . . . . 15.0 111.402 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -54.86 -37.73 66.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.592 0.234 . . . . 15.0 111.227 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -114.47 136.34 53.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.827 0.346 . . . . 15.0 110.662 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -134.75 159.54 40.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 15.0 110.64 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.26 125.31 25.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.294 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.5 -39.6 88.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.894 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.57 150.84 37.05 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.13 -0.788 . . . . 15.0 111.13 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -125.51 131.61 52.77 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.755 0.312 . . . . 15.0 110.433 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -62.81 -39.95 95.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 15.0 110.786 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -59.51 -39.43 83.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 15.0 110.96 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -59.63 -42.66 93.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 15.0 110.622 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.0 tp -62.06 -39.06 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.52 -38.11 80.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 15.0 111.066 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.8 m -77.85 128.18 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 15.0 110.875 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -65.02 -39.86 94.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.984 178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -54.34 -34.09 60.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 15.0 111.784 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.8 p -56.82 -35.46 68.82 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.03 -0.268 . . . . 15.0 111.299 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -65.6 -35.58 81.24 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.17 -0.212 . . . . 15.0 111.333 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -96.74 124.66 40.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.895 0.379 . . . . 15.0 110.783 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -135.53 33.28 3.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.533 . . . . 15.0 111.533 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -126.26 147.54 49.67 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.705 0.288 . . . . 15.0 110.675 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.11 129.0 54.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.299 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -96.35 131.51 42.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 15.0 111.135 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -122.14 143.72 49.37 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.457 -0.572 . . . . 15.0 109.457 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.662 HG23 HE22 ' A' ' 109' ' ' GLN . 41.1 m -109.93 142.48 41.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.074 0.464 . . . . 15.0 111.105 -176.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.719 HD21 HD11 ' A' ' 110' ' ' ILE . 91.9 mt -86.86 128.68 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.732 -0.667 . . . . 15.0 110.82 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -123.73 149.93 44.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.992 -0.549 . . . . 15.0 110.314 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.32 135.32 44.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 15.0 111.193 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.8 -25.94 21.05 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.984 -0.553 . . . . 15.0 112.308 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -108.38 143.13 37.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 117.535 0.667 . . . . 15.0 110.676 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.1 p -114.23 162.82 16.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.096 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.54 -42.79 81.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.225 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.57 96.8 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 15.0 110.847 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.81 -44.85 96.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.934 0.397 . . . . 15.0 110.605 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -59.47 -43.42 93.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.305 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -60.22 -40.74 91.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 15.0 111.199 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -62.63 -46.22 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.466 -0.334 . . . . 15.0 110.972 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -60.64 -42.31 96.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 15.0 110.758 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -75.7 -14.91 60.36 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.18 42.93 6.71 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.384 0.611 . . . . 15.0 110.378 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -114.26 143.19 24.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.697 -0.683 . . . . 15.0 109.637 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -70.18 134.47 48.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.022 0.439 . . . . 15.0 110.669 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.4 mt -57.18 -37.88 72.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.37 -44.0 92.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.818 0.342 . . . . 15.0 110.42 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.99 -45.23 94.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.023 0.44 . . . . 15.0 110.755 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.03 -45.22 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 15.0 110.05 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -59.82 -46.85 87.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 15.0 111.361 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.05 -39.22 68.97 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.354 -176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.492 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.8 mt -72.22 -53.02 13.81 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.83 -0.348 . . . . 15.0 111.438 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.59 8.62 21.44 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.616 0.969 . . . . 15.0 113.616 -175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -51.1 -29.43 13.24 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.009 -0.432 . . . . 15.0 112.164 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.22 -36.25 66.45 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.846 -0.341 . . . . 15.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 111' ' ' ILE . 82.8 mt -70.5 -43.28 69.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.646 0.26 . . . . 15.0 111.43 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -117.26 147.9 42.13 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.988 0.423 . . . . 15.0 110.926 -177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 m -71.19 -41.54 70.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.97 -0.559 . . . . 15.0 111.739 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.3 p -151.32 170.03 20.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 15.0 111.372 -175.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.97 -34.71 75.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.538 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.28 -45.13 80.27 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.945 0.403 . . . . 15.0 110.856 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.41 -34.57 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 15.0 111.269 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.34 -50.02 69.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.832 0.349 . . . . 15.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.1 mtm -60.91 -36.49 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.401 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -90.99 15.29 11.78 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.817 0.673 . . . . 15.0 112.817 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.58 147.83 13.55 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-O 121.066 0.46 . . . . 15.0 111.069 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -120.69 169.41 8.82 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.729 -0.669 . . . . 15.0 110.463 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 26.0 Cg_exo -59.65 146.18 96.05 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.432 1.421 . . . . 15.0 112.359 -178.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.91 -15.61 55.23 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 116.121 -0.49 . . . . 15.0 113.288 177.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.508 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.69 155.33 20.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 118.016 0.908 . . . . 15.0 110.756 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.662 HE22 HG23 ' A' ' 66' ' ' THR . 93.7 mm-40 -109.17 150.71 27.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.152 0.501 . . . . 15.0 110.874 -177.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HD21 ' A' ' 67' ' ' LEU . 77.1 mt -125.01 137.46 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.495 -0.775 . . . . 15.0 109.061 174.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 94' ' ' LEU . 67.3 mt -106.78 131.76 55.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.962 0.411 . . . . 15.0 110.27 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.7 mt -118.57 92.43 43.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.756 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' HD13 ' A' ' 90' ' ' LEU . 72.4 Cg_endo -82.14 108.92 1.85 Allowed 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.384 1.389 . . . . 15.0 112.171 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.3 mt -93.74 139.26 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 15.0 110.413 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -114.92 129.97 56.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.783 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -60.18 -36.26 77.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 15.0 111.135 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 tp -116.48 86.98 19.22 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.497 -0.319 . . . . 15.0 110.165 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.81 5.38 2.54 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.296 1.33 . . . . 15.0 113.901 -178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -101.37 129.78 47.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.787 0.327 . . . . 15.0 110.202 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -114.13 151.39 32.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.827 -178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -121.82 138.31 54.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 15.0 110.079 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -114.75 134.7 54.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.972 0.415 . . . . 15.0 110.919 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.23 -30.6 71.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 15.0 111.763 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.514 HD21 HD12 ' A' ' 126' ' ' LEU . 10.6 tp -101.57 103.24 26.35 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-O 119.035 -0.507 . . . . 15.0 110.519 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -48.99 -27.96 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.386 1.39 . . . . 15.0 112.848 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.514 HD12 HD21 ' A' ' 124' ' ' LEU . 81.5 mt -56.26 -38.53 71.27 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.074 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.5 mt -85.61 140.63 30.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 15.0 110.37 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.19 61.54 0.31 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.983 -0.847 . . . . 15.0 110.983 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.2 t -56.06 -35.45 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.119 -0.232 . . . . 15.0 111.264 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -79.92 123.3 83.75 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-O 118.484 -0.769 . . . . 15.0 110.216 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.29 -38.07 87.21 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.18 1.254 . . . . 15.0 112.03 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.87 140.66 29.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.519 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.5 t -118.48 132.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.234 -0.439 . . . . 15.0 110.075 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.62 -35.86 82.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 15.0 111.316 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.461 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -58.98 142.94 49.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 15.0 110.759 -178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -107.11 -152.47 18.57 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.937 -0.865 . . . . 15.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.85 -35.48 4.97 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 111.533 -0.627 . . . . 15.0 111.533 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.57 -41.33 89.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.086 -0.338 . . . . 15.0 110.086 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.61 147.53 51.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.335 -0.393 . . . . 15.0 110.778 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -122.47 149.36 16.97 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.738 -0.945 . . . . 15.0 110.738 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -122.54 132.33 54.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.875 0.369 . . . . 15.0 110.78 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.3 m -62.95 -36.5 83.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 15.0 111.22 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -56.49 166.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.841 0.353 . . . . 15.0 110.737 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 80.7 39.94 13.27 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.893 -0.883 . . . . 15.0 110.893 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.5 m -57.23 -36.39 70.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.523 0.201 . . . . 15.0 111.342 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.7 -40.18 78.71 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.141 -0.784 . . . . 15.0 111.141 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -61.03 -38.29 85.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.68 0.276 . . . . 15.0 110.967 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.97 -34.92 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.479 -0.328 . . . . 15.0 111.496 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -94.34 109.72 21.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.331 . . . . 15.0 110.631 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -59.72 -38.37 81.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.013 -0.54 . . . . 15.0 110.944 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -77.67 136.75 38.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.47 -0.332 . . . . 15.0 110.667 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.2 154.39 33.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.489 . . . . 15.0 110.469 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.987 -1.006 . . . . 15.0 110.471 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.5 mmm . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -104.3 125.07 50.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.734 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.26 -33.89 66.28 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.725 -0.55 . . . . 15.0 111.725 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.84 -33.37 68.57 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 122.802 -0.234 . . . . 15.0 111.517 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.03 -36.0 62.57 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.558 0.218 . . . . 15.0 111.374 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -114.84 134.19 55.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.818 0.342 . . . . 15.0 110.424 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -69.47 -38.76 77.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.999 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -81.43 126.82 32.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.665 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.19 -38.98 88.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 15.0 110.856 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -38.25 3.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.24 -0.744 . . . . 15.0 111.24 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.4 t -126.28 140.16 52.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.835 0.35 . . . . 15.0 110.456 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.1 p30 -93.34 11.06 29.54 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.048 0.759 . . . . 15.0 113.048 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -121.62 135.5 54.98 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 122.023 -0.423 . . . . 15.0 110.839 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -64.97 -37.26 87.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 15.0 111.033 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -92.81 126.14 37.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.803 0.335 . . . . 15.0 110.324 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.21 -37.75 84.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 15.0 111.247 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.6 m -71.78 126.51 29.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 15.0 110.657 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -61.49 -39.55 91.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.988 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -96.11 103.75 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 15.0 110.732 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.7 m -60.76 -35.28 76.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.036 -0.529 . . . . 15.0 111.459 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -59.36 -33.9 71.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.694 -0.23 . . . . 15.0 111.611 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -89.4 117.43 28.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.859 0.361 . . . . 15.0 110.597 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -136.33 27.47 3.13 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.121 -0.49 . . . . 15.0 112.045 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -130.63 150.6 51.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.702 0.287 . . . . 15.0 110.403 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.8 mt -102.37 123.68 46.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.519 -0.31 . . . . 15.0 110.345 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -96.47 129.75 43.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.367 -0.378 . . . . 15.0 110.94 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -123.77 143.72 50.13 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.395 -0.594 . . . . 15.0 109.395 174.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -111.72 142.39 44.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.055 0.455 . . . . 15.0 111.14 -176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.711 HD21 HD11 ' A' ' 110' ' ' ILE . 93.4 mt -86.2 128.41 34.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 15.0 110.739 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -127.83 144.75 51.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.127 -0.488 . . . . 15.0 110.481 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -51.99 135.73 30.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.385 -0.37 . . . . 15.0 111.548 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.36 -28.57 10.71 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.026 -0.533 . . . . 15.0 112.042 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -107.67 145.56 33.21 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 117.262 0.531 . . . . 15.0 110.281 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.2 p -114.19 164.46 13.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.151 0.501 . . . . 15.0 110.557 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 101' ' ' MET . 50.6 t -56.2 -42.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.361 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.02 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.832 -0.347 . . . . 15.0 110.657 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -60.22 -44.71 94.94 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.936 0.398 . . . . 15.0 110.386 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 65' ' ' TYR . 6.3 mp -59.09 -43.26 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.481 . . . . 15.0 110.388 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -58.89 -41.85 88.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.881 -0.599 . . . . 15.0 111.033 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -63.75 -46.86 83.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.222 -0.445 . . . . 15.0 111.016 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.5 t -59.89 -43.04 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.994 0.426 . . . . 15.0 110.749 -178.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -75.7 -14.94 60.36 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 112.868 0.692 . . . . 15.0 112.868 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.5 t70 60.31 42.45 14.92 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.317 0.579 . . . . 15.0 110.295 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.0 mt -119.55 148.67 22.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 15.0 109.609 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -74.85 139.15 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 15.0 110.489 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.9 mt -56.57 -37.21 70.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.956 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 t -59.25 -43.38 92.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.876 0.37 . . . . 15.0 110.387 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.2 m -61.66 -43.65 98.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.185 0.517 . . . . 15.0 110.708 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.26 87.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.983 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.11 -46.25 90.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.317 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.1 p -54.56 -39.65 67.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.952 -0.299 . . . . 15.0 111.39 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.9 mt -73.59 -51.62 16.27 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.796 -0.361 . . . . 15.0 111.698 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.441 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.7 m-80 -87.8 10.33 18.82 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.621 0.971 . . . . 15.0 113.621 -173.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.8 -27.65 7.72 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.981 -0.45 . . . . 15.0 112.182 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -74.15 -36.5 64.12 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.911 -0.316 . . . . 15.0 111.212 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.4 mt -70.25 -42.58 72.01 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.997 -0.281 . . . . 15.0 111.47 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -114.82 147.83 39.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.924 0.392 . . . . 15.0 110.936 -177.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m -71.36 -41.55 69.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.544 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.4 p -152.6 170.05 21.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 15.0 111.363 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.14 -34.67 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 15.0 111.564 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -55.91 -44.33 78.15 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.926 0.393 . . . . 15.0 110.853 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.66 -34.98 76.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 15.0 111.23 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.459 ' O ' HG21 ' A' ' 73' ' ' VAL . 86.5 mtp -64.43 -46.47 83.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 15.0 110.721 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.54 -37.66 78.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.491 -0.322 . . . . 15.0 111.367 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -91.02 15.4 11.62 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.768 0.655 . . . . 15.0 112.768 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.21 147.35 13.28 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 121.055 0.455 . . . . 15.0 111.243 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -128.36 169.01 13.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.708 -0.678 . . . . 15.0 110.459 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.71 146.22 86.27 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.503 1.469 . . . . 15.0 112.484 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.71 -16.48 47.5 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.078 -0.51 . . . . 15.0 113.28 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 117.91 0.855 . . . . 15.0 110.897 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.08 150.91 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.149 0.5 . . . . 15.0 111.266 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.711 HD11 HD21 ' A' ' 67' ' ' LEU . 76.5 mt -125.44 135.02 65.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.138 175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.0 mt -106.92 133.15 52.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.995 0.426 . . . . 15.0 110.485 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.5 mt -115.77 94.65 41.5 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.748 -0.66 . . . . 15.0 109.653 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.418 ' HD2' HD13 ' A' ' 90' ' ' LEU . 70.9 Cg_endo -78.45 134.41 12.5 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 121.372 1.381 . . . . 15.0 112.48 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.6 mt -93.18 20.36 7.0 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.991 -0.55 . . . . 15.0 112.413 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -55.92 -35.71 66.9 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.224 -0.297 . . . . 15.0 111.41 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -87.13 136.74 32.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.887 0.375 . . . . 15.0 110.843 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.8 tp -130.26 76.3 78.0 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.0 -0.545 . . . . 15.0 109.797 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -89.16 84.59 0.55 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.754 1.636 . . . . 15.0 113.402 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.23 135.58 53.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.478 -0.328 . . . . 15.0 110.27 174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -111.24 140.4 45.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.634 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -116.88 130.83 56.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.435 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.7 p -64.71 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 15.0 111.806 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.62 143.13 47.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 15.0 110.811 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.3 mt -128.16 83.24 66.68 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.248 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -83.59 69.18 6.83 Favored 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.652 1.568 . . . . 15.0 112.389 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 24.2 tp -103.72 125.49 50.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 15.0 110.153 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.8 tp -60.25 -39.88 88.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 15.0 110.878 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -79.14 121.23 5.48 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.137 -0.785 . . . . 15.0 111.137 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -59.84 -34.6 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.491 0.186 . . . . 15.0 111.391 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.1 89.48 3.05 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 119.522 -0.275 . . . . 15.0 110.595 -178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -62.2 111.07 1.16 Allowed 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.281 1.32 . . . . 15.0 111.877 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -59.8 -33.05 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 15.0 111.572 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 133' ' ' VAL . 11.7 p -60.0 125.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.981 0.419 . . . . 15.0 110.474 -177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.89 -31.57 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.845 -0.616 . . . . 15.0 111.761 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.8 143.57 25.18 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.828 0.347 . . . . 15.0 111.051 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.24 124.75 3.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.044 -0.823 . . . . 15.0 111.044 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.65 -38.07 79.86 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.188 -0.765 . . . . 15.0 111.188 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.3 t -117.27 131.8 68.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.839 -0.43 . . . . 15.0 109.839 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.526 ' HB1' ' HD2' ' A' ' 141' ' ' HIS . . . -64.23 -40.41 95.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.714 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.45 27.87 64.76 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 121.282 -0.485 . . . . 15.0 112.282 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.526 ' HD2' ' HB1' ' A' ' 139' ' ' ALA . 97.6 m-70 -111.62 28.48 8.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 117.193 0.497 . . . . 15.0 111.901 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.2 t -66.88 139.69 57.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 15.0 110.611 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -117.75 125.86 51.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.55 81.58 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.324 -0.71 . . . . 15.0 111.324 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.1 m -62.12 154.61 26.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.76 0.314 . . . . 15.0 110.501 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -161.85 119.11 0.86 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.159 -0.777 . . . . 15.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.4 p -62.32 -28.74 69.95 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.972 0.36 . . . . 15.0 111.972 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.52 -33.7 68.34 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.517 0.192 . . . . 15.0 111.517 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -77.3 113.94 15.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 15.0 110.467 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.56 -37.66 76.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 15.0 111.075 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -59.77 -37.06 78.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 15.0 111.116 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.32 -41.73 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 15.0 110.636 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.932 -1.032 . . . . 15.0 110.532 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.372 -0.603 . . . . 15.0 109.372 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -104.91 119.09 38.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.474 . . . . 15.0 110.548 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.72 -37.36 92.27 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.381 -0.688 . . . . 15.0 111.381 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -89.02 17.43 5.79 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -54.82 -38.12 66.98 Favored 'General case' 0 CA--C 1.529 0.153 0 O-C-N 122.188 -0.32 . . . . 15.0 111.027 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -60.57 -35.06 75.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 15.0 111.422 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -94.17 125.68 38.95 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.997 -0.371 . . . . 15.0 109.997 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -61.47 -45.4 94.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 112.036 -173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.29 -45.28 92.13 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.741 -0.384 . . . . 15.0 111.191 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.45 42.71 65.76 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.408 -0.677 . . . . 15.0 111.408 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.0 m -59.34 129.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 15.0 111.133 -176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.94 -34.4 78.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.554 177.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -52.29 -32.26 36.75 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.777 0.288 . . . . 15.0 111.777 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -57.83 121.72 11.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.972 0.415 . . . . 15.0 110.687 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.9 mt -61.79 -32.71 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.925 -0.579 . . . . 15.0 111.558 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.5 mt -53.7 -31.34 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 111.62 0.229 . . . . 15.0 111.62 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.6 m -53.14 -38.9 63.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.702 0.286 . . . . 15.0 111.26 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -118.39 130.02 55.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 15.0 110.632 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -104.64 122.09 44.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.304 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.3 p -61.34 -35.23 76.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 15.0 111.455 -177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -122.57 117.83 26.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.891 0.377 . . . . 15.0 110.97 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -66.87 -36.38 82.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.372 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -54.3 -37.19 64.5 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.442 -0.345 . . . . 15.0 111.406 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -117.38 141.65 48.07 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.326 -0.25 . . . . 15.0 110.326 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.1 mt -107.02 132.28 53.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.477 -0.329 . . . . 15.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.46 132.02 42.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.338 -0.392 . . . . 15.0 110.948 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE2' HD21 ' A' ' 76' ' ' LEU . 47.4 t80 -122.7 143.32 49.87 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.589 -0.523 . . . . 15.0 109.589 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 m -107.24 142.3 37.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.906 0.384 . . . . 15.0 110.984 -177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -84.85 128.64 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.832 -0.622 . . . . 15.0 110.74 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -126.84 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 15.0 110.524 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.34 136.05 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 15.0 111.426 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.49 -28.6 10.58 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 115.945 -0.571 . . . . 15.0 112.003 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -111.95 144.74 40.79 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 117.354 0.577 . . . . 15.0 110.279 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.15 163.12 15.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.285 0.564 . . . . 15.0 110.722 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.51 -41.84 79.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.149 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.8 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.383 -0.372 . . . . 15.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.68 -44.71 96.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.923 0.392 . . . . 15.0 110.444 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.4 mt -58.28 -44.62 88.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.109 0.48 . . . . 15.0 110.389 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.2 t -60.13 -42.72 95.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.215 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -62.84 -46.52 87.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.354 -0.385 . . . . 15.0 111.162 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.51 -43.5 98.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 15.0 111.139 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -79.32 -3.74 47.55 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.434 0.901 . . . . 15.0 113.434 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.69 42.71 19.9 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-O 121.395 0.617 . . . . 15.0 110.406 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.9 mt -116.84 149.22 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.643 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.85 137.4 33.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.065 0.46 . . . . 15.0 110.581 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.5 mt -56.57 -37.05 70.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 15.0 110.987 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.23 -43.88 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 15.0 110.273 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.4 m -61.74 -44.16 97.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.167 0.508 . . . . 15.0 110.697 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.79 -44.81 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 15.0 109.983 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -59.98 -46.92 87.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.018 -0.537 . . . . 15.0 111.284 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 81.6 p -55.07 -38.67 68.34 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.919 -0.313 . . . . 15.0 111.371 -176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD13 ' HD2' ' A' ' 113' ' ' PRO . 85.4 mt -72.79 -53.23 12.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 15.0 111.726 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 8.14 26.46 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.583 0.957 . . . . 15.0 113.583 -174.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -51.12 -28.84 11.73 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.189 0.44 . . . . 15.0 112.189 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -73.86 -36.2 64.82 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.752 -0.379 . . . . 15.0 111.287 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -70.52 -41.56 72.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.655 0.264 . . . . 15.0 111.454 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -111.74 147.97 34.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.942 0.401 . . . . 15.0 111.04 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -69.58 -41.3 75.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.427 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.73 170.06 21.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 15.0 111.183 -176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.74 -34.65 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.744 -0.662 . . . . 15.0 111.541 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.08 -43.36 77.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.879 0.371 . . . . 15.0 110.866 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.59 -35.36 77.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 15.0 111.237 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.8 mtp -65.1 -46.94 79.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.778 0.323 . . . . 15.0 110.895 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -59.63 -37.94 80.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.321 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -92.69 16.62 11.84 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.654 0.613 . . . . 15.0 112.654 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.15 147.33 13.15 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 121.027 0.441 . . . . 15.0 111.187 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -126.28 168.99 12.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.777 -0.647 . . . . 15.0 110.653 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 37.5 Cg_exo -57.59 146.2 85.56 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.562 1.508 . . . . 15.0 112.475 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.27 -17.06 48.43 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-N 116.07 -0.514 . . . . 15.0 113.219 177.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.4 mt-30 -86.75 155.46 20.33 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 117.947 0.873 . . . . 15.0 110.904 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -110.69 148.3 32.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.15 0.5 . . . . 15.0 111.091 -177.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 83.9 mt -126.15 137.12 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 15.0 109.515 175.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.83 131.88 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 15.0 110.034 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.5 mt -121.26 96.28 48.16 Favored Pre-proline 0 C--O 1.234 0.285 0 CA-C-N 115.981 -0.554 . . . . 15.0 110.229 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' HD13 ' A' ' 90' ' ' LEU . 58.3 Cg_endo -75.75 108.35 2.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.222 1.281 . . . . 15.0 112.029 176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.7 tp -100.7 129.58 46.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 15.0 110.511 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.23 140.41 34.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.511 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -87.05 -1.88 58.21 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.213 0.82 . . . . 15.0 113.213 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.2 tp -127.23 80.17 72.05 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 118.347 0.521 . . . . 15.0 110.665 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -55.79 161.06 8.67 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.322 1.348 . . . . 15.0 111.752 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.75 155.15 50.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.68 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -147.96 141.47 25.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 15.0 110.537 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.67 127.18 54.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.37 178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -66.15 -31.37 72.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.863 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -97.15 139.65 32.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.371 . . . . 15.0 110.878 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.7 tp -130.12 84.09 61.29 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.01 -0.541 . . . . 15.0 110.29 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.85 116.43 3.68 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.328 1.352 . . . . 15.0 111.903 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.2 tp -100.16 127.52 46.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 15.0 110.505 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 127' ' ' LEU . 6.4 mp -62.71 -40.52 97.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.411 . . . . 15.0 110.809 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 34.18 58.59 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.673 -0.571 . . . . 15.0 111.673 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.2 m -122.08 147.67 45.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.804 0.335 . . . . 15.0 110.231 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.84 78.09 73.9 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.357 -0.383 . . . . 15.0 110.572 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.41 72.99 3.53 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.664 1.576 . . . . 15.0 112.012 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.1 mt -96.33 133.77 40.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.621 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.71 -41.95 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 15.0 110.045 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.04 85.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 15.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -61.7 -35.93 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.2 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.89 118.84 15.32 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.003 -0.839 . . . . 15.0 111.003 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.79 -36.69 80.74 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.343 -0.703 . . . . 15.0 111.343 179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.68 131.64 60.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.978 -0.378 . . . . 15.0 109.978 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.56 87.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 15.0 111.168 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -71.42 119.45 7.8 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.1 -0.8 . . . . 15.0 111.1 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.15 -39.6 86.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 15.0 110.889 179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.2 m -70.4 134.58 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.676 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -110.66 125.9 53.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.109 -0.496 . . . . 15.0 110.619 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.6 -36.69 79.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.426 -0.67 . . . . 15.0 111.426 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 m -56.73 -35.67 68.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.566 0.222 . . . . 15.0 111.305 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.31 -33.52 58.34 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.84 -0.504 . . . . 15.0 111.84 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.5 m -55.24 -34.49 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.692 -0.299 . . . . 15.0 111.516 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.29 -35.73 74.28 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.535 0.198 . . . . 15.0 111.535 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -87.47 7.67 28.27 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.476 0.917 . . . . 15.0 113.476 -176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.52 -35.8 76.86 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 118.085 0.402 . . . . 15.0 111.199 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -117.98 139.27 51.42 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.954 0.407 . . . . 15.0 110.79 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -109.11 135.09 50.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.919 -0.582 . . . . 15.0 110.369 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.914 -1.041 . . . . 15.0 110.39 179.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.348 -0.612 . . . . 15.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -56.33 -40.16 74.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.31 37.44 63.08 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.286 -0.725 . . . . 15.0 111.286 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.46 -37.37 72.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 15.0 111.101 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -98.27 92.21 5.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.467 0.651 . . . . 15.0 111.044 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -64.8 -26.76 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.822 -0.627 . . . . 15.0 112.154 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -54.37 -39.91 67.64 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.823 0.344 . . . . 15.0 111.015 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -58.83 -40.09 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 15.0 110.73 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.51 -35.93 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.315 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.68 -37.85 62.39 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.413 -0.675 . . . . 15.0 111.413 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 m -58.68 -38.62 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.935 -0.306 . . . . 15.0 110.92 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.03 -37.05 73.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.228 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 t -55.9 -37.86 69.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.542 -0.299 . . . . 15.0 111.132 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -98.78 128.49 45.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 15.0 110.463 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.23 -38.36 90.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 15.0 110.976 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 54' ' ' LEU . 6.7 mp -100.32 139.3 36.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 15.0 110.674 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -118.14 -30.35 5.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.74 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -56.27 -40.67 74.6 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.61 0.243 . . . . 15.0 110.848 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -93.59 97.45 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 15.0 110.381 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.3 t -61.46 -36.8 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 15.0 111.381 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -121.47 138.17 54.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.92 0.391 . . . . 15.0 111.124 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.28 143.4 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.122 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -116.81 87.35 2.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.83 0.348 . . . . 15.0 111.124 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -138.84 151.53 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 15.0 109.929 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.3 tp -100.76 121.34 41.51 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.882 -0.327 . . . . 15.0 110.297 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.39 130.16 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.963 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.435 ' CE2' HD13 ' A' ' 76' ' ' LEU . 41.0 t80 -123.09 141.95 51.41 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -112.11 142.4 44.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 15.0 111.217 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.8 mt -85.63 128.21 34.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 15.0 110.706 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -125.97 145.33 50.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.488 . . . . 15.0 110.443 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.41 134.99 34.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 15.0 111.435 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -27.07 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.942 -0.572 . . . . 15.0 112.136 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -106.79 145.29 32.28 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.335 0.568 . . . . 15.0 110.51 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.17 161.98 17.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 15.0 110.064 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -57.34 -44.28 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.827 0.346 . . . . 15.0 110.237 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.21 93.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.438 -0.346 . . . . 15.0 110.755 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -60.96 -45.32 95.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.929 0.395 . . . . 15.0 110.518 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD13 ' CE2' ' A' ' 65' ' ' TYR . 28.3 tp -59.76 -43.48 94.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.303 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -60.09 -41.29 92.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 15.0 111.145 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.72 -46.77 86.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.396 -0.365 . . . . 15.0 110.826 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.7 t -61.02 -43.29 99.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.882 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.73 -10.06 59.11 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.19 0.811 . . . . 15.0 113.19 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.8 t70 60.49 42.52 14.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.371 0.605 . . . . 15.0 110.407 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.2 mt -115.9 146.68 20.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.58 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -79.13 135.91 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 15.0 110.628 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.3 mt -56.7 -38.07 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.842 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.41 -43.42 93.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.854 0.359 . . . . 15.0 110.406 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.5 m -61.6 -44.72 96.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.048 0.451 . . . . 15.0 110.667 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.0 mt -58.06 -45.63 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 15.0 109.908 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -59.64 -46.95 87.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 15.0 111.324 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -55.08 -39.5 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.434 -176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.7 mt -72.88 -53.0 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 15.0 111.622 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.03 7.47 24.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.586 0.958 . . . . 15.0 113.586 -174.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -51.16 -29.23 13.06 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.991 -0.443 . . . . 15.0 112.154 177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -75.61 -36.18 60.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.833 -0.347 . . . . 15.0 111.271 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 111' ' ' ILE . 82.5 mt -67.72 -41.51 83.38 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 121.084 -0.246 . . . . 15.0 111.34 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.23 147.84 36.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.01 0.433 . . . . 15.0 110.897 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.5 m -68.34 -41.56 80.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.0 -0.546 . . . . 15.0 111.546 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.8 p -153.19 170.01 21.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 15.0 111.299 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.62 -34.36 75.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.89 -0.595 . . . . 15.0 111.54 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.7 t -56.01 -43.07 77.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.878 0.371 . . . . 15.0 110.871 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.68 -35.17 77.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.387 -0.369 . . . . 15.0 111.251 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.2 mtp -64.5 -46.38 83.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.877 0.37 . . . . 15.0 110.785 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.73 -37.63 79.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.112 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.0 15.82 10.77 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.613 0.598 . . . . 15.0 112.613 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.41 146.17 16.51 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.027 0.441 . . . . 15.0 111.245 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.408 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -127.94 168.98 13.57 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 115.713 -0.676 . . . . 15.0 110.575 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 39.4 Cg_exo -57.83 146.25 86.93 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.498 1.465 . . . . 15.0 112.494 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.69 -16.13 51.89 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.089 -0.505 . . . . 15.0 113.264 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.465 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.77 155.63 20.25 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 117.968 0.884 . . . . 15.0 110.923 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -110.84 149.36 30.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 15.0 111.254 -177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 84.6 mt -124.45 138.28 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.312 -0.858 . . . . 15.0 109.31 175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.608 HD12 HD11 ' A' ' 94' ' ' LEU . 68.2 mt -106.77 133.13 52.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.034 0.445 . . . . 15.0 110.323 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.7 mt -116.63 96.8 49.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 15.0 109.88 176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' HD13 ' A' ' 90' ' ' LEU . 73.1 Cg_endo -81.14 102.2 1.33 Allowed 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.363 1.375 . . . . 15.0 112.097 177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.27 -38.01 73.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.42 135.76 33.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 15.0 110.644 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -104.69 152.55 22.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 15.0 110.465 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.9 tp -124.08 87.34 53.44 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.175 -0.466 . . . . 15.0 110.356 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.44 -39.46 16.82 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.529 1.486 . . . . 15.0 112.852 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -105.86 127.75 53.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 15.0 110.394 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -116.59 131.43 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.432 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -65.15 -39.01 92.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 15.0 111.082 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.3 m -59.69 157.77 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.63 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.35 154.42 50.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 15.0 110.555 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 124' ' ' LEU . 4.6 tt -124.63 79.95 62.03 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.372 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.76 122.67 11.38 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.283 1.322 . . . . 15.0 112.192 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.4 tp -100.97 126.88 47.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.225 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.45 -40.18 90.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 15.0 110.832 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.92 40.36 63.33 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.978 -0.849 . . . . 15.0 110.978 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.0 p -59.07 -30.57 68.16 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.779 0.288 . . . . 15.0 111.779 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.6 79.21 38.55 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 110.402 -0.222 . . . . 15.0 110.402 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.39 117.23 3.86 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.382 1.388 . . . . 15.0 111.889 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.7 tp -99.74 128.98 45.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 15.0 110.413 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.9 t -119.41 131.59 71.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 15.0 110.001 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.86 85.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.225 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.413 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -62.31 145.01 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 15.0 110.779 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -128.85 47.44 1.02 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.645 -0.982 . . . . 15.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.34 128.01 38.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.374 -0.69 . . . . 15.0 111.374 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.85 -38.47 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.554 0.216 . . . . 15.0 110.421 177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.65 -31.1 64.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.528 -0.305 . . . . 15.0 111.704 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -52.09 -33.43 37.43 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 111.87 -0.492 . . . . 15.0 111.87 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.5 128.88 52.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 15.0 110.416 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.7 m -60.75 -40.24 91.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 15.0 110.787 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -56.37 -39.16 72.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 15.0 110.892 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.92 35.07 65.29 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.503 -0.639 . . . . 15.0 111.503 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 50.2 m -122.47 147.92 45.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 15.0 110.629 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -141.61 126.35 3.0 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.909 -0.876 . . . . 15.0 110.909 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.86 -33.2 73.75 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.105 -0.238 . . . . 15.0 111.611 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.71 -36.98 82.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.601 0.238 . . . . 15.0 111.178 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -106.69 116.85 32.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.704 0.287 . . . . 15.0 110.573 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.0 tp -101.43 122.6 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 15.0 110.367 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -103.73 -1.7 27.59 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 113.206 0.817 . . . . 15.0 113.206 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -132.46 163.06 29.61 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 118.202 0.456 . . . . 15.0 110.732 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.024 -0.989 . . . . 15.0 110.421 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.68 -36.22 66.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 15.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.63 -36.48 59.06 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.451 -0.66 . . . . 15.0 111.451 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.47 -37.06 72.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.073 -0.251 . . . . 15.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -55.72 -37.77 68.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.634 -0.257 . . . . 15.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -102.27 140.18 36.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.805 0.336 . . . . 15.0 110.604 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -128.0 159.0 36.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 15.0 110.495 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.61 -55.99 2.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 15.0 111.087 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -83.81 139.68 32.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.988 0.423 . . . . 15.0 111.197 -175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.61 45.91 0.55 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.551 -1.019 . . . . 15.0 110.551 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 t -56.95 -35.89 69.63 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.44 0.163 . . . . 15.0 111.44 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -77.57 108.15 10.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.099 0.476 . . . . 15.0 110.875 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -61.03 -38.1 84.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.019 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -92.26 135.16 34.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 15.0 110.746 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 tp -107.18 126.12 51.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 15.0 110.096 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.7 mt -60.87 -35.06 75.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.6 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.6 m -53.56 -38.07 63.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.75 -0.205 . . . . 15.0 111.318 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -110.5 132.73 53.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.87 0.367 . . . . 15.0 110.651 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -142.68 111.27 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.508 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -116.65 143.85 45.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.934 0.397 . . . . 15.0 110.71 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -93.62 -6.21 47.0 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.224 0.824 . . . . 15.0 113.224 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -54.92 -33.66 62.38 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.112 0.415 . . . . 15.0 111.622 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -54.32 -36.51 63.83 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.233 -0.187 . . . . 15.0 111.409 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -130.92 140.18 50.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 15.0 111.012 -178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.9 tp -109.61 130.97 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.073 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.31 131.68 42.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.484 -0.326 . . . . 15.0 110.989 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -121.08 143.65 48.97 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.63 -0.507 . . . . 15.0 109.63 176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.2 m -111.14 142.44 43.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.021 0.439 . . . . 15.0 111.163 -175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 108' ' ' GLN . 93.1 mt -87.02 134.14 33.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.751 -0.659 . . . . 15.0 111.043 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -131.6 156.49 45.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.957 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.61 134.28 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 15.0 111.328 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.79 -21.41 42.29 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 116.096 -0.502 . . . . 15.0 112.889 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.64 ' OE2' HD13 ' A' ' 76' ' ' LEU . 84.0 tt0 -107.07 138.71 42.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 117.728 0.764 . . . . 15.0 110.946 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.5 p -114.29 158.21 21.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.908 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -58.58 -43.09 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.071 -178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.39 -43.07 99.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.508 -0.314 . . . . 15.0 111.046 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.17 -44.86 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.77 -0.372 . . . . 15.0 110.709 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.64 HD13 ' OE2' ' A' ' 71' ' ' GLU . 15.0 tp -59.87 -43.26 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.92 0.391 . . . . 15.0 110.193 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.2 t -60.28 -40.18 89.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.124 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -62.28 -46.35 89.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.453 -0.34 . . . . 15.0 110.696 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -60.92 -42.18 97.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.721 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' OE1' HD12 ' A' ' 82' ' ' ILE . 94.9 mt-30 -75.71 -14.88 60.35 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.932 0.715 . . . . 15.0 112.932 179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.8 t70 63.44 43.53 5.93 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.412 0.625 . . . . 15.0 110.287 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.427 HD12 ' OE1' ' A' ' 80' ' ' GLN . 72.5 mt -113.63 144.67 20.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.541 -0.754 . . . . 15.0 109.68 178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -70.88 130.95 42.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.196 0.522 . . . . 15.0 110.992 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.5 mt -57.51 -38.66 75.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.681 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.04 -42.54 90.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.84 0.353 . . . . 15.0 110.53 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.87 -46.17 90.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.961 0.41 . . . . 15.0 110.838 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.4 mt -58.37 -45.73 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.946 0.403 . . . . 15.0 109.964 -177.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.0 -47.56 84.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 15.0 111.301 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -55.1 -38.21 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.245 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 113' ' ' PRO . 74.6 mt -71.91 -52.49 17.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 15.0 111.571 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.9 7.83 28.99 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.638 0.977 . . . . 15.0 113.638 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -52.05 -29.4 21.09 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.102 0.408 . . . . 15.0 112.102 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.4 p-80 -72.31 -35.92 68.76 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.721 -0.392 . . . . 15.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.42 -43.54 69.75 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 121.097 -0.241 . . . . 15.0 111.455 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -114.31 147.91 38.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.958 0.409 . . . . 15.0 110.87 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.1 m -75.7 -38.6 58.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 15.0 111.871 -174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.7 p -148.56 170.05 18.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.008 0.432 . . . . 15.0 111.667 -174.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -63.75 -35.76 81.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.684 -0.689 . . . . 15.0 111.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -56.76 -43.49 80.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.88 0.371 . . . . 15.0 110.74 -177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.16 -35.28 78.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.408 -0.36 . . . . 15.0 111.394 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.6 -48.73 71.3 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.874 0.369 . . . . 15.0 110.837 179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -60.25 -37.01 79.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.376 -0.375 . . . . 15.0 111.245 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -91.18 16.02 10.67 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.844 0.683 . . . . 15.0 112.844 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB1' HD13 ' A' ' 67' ' ' LEU . . . -52.74 144.27 14.58 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 121.001 0.429 . . . . 15.0 111.34 -179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.68 167.02 14.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.569 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -57.96 146.14 88.28 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 121.43 1.42 . . . . 15.0 112.358 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 -17.85 51.39 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 116.07 -0.513 . . . . 15.0 113.1 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.512 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.4 mt-30 -86.58 155.9 20.27 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 117.934 0.867 . . . . 15.0 110.662 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -112.18 150.94 30.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.282 0.563 . . . . 15.0 111.295 -176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 88.2 mt -127.74 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.335 -0.848 . . . . 15.0 109.438 175.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.3 mt -106.81 131.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.957 0.408 . . . . 15.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 mt -119.68 95.46 49.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.858 -0.61 . . . . 15.0 109.665 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.485 ' HD2' HD13 ' A' ' 90' ' ' LEU . 85.3 Cg_endo -82.58 61.18 7.52 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 121.392 1.395 . . . . 15.0 112.648 178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.3 tp -103.83 126.55 51.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 15.0 110.163 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -103.66 145.1 30.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.318 -0.401 . . . . 15.0 110.739 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -123.19 144.22 49.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.43 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 123' ' ' ALA . 10.0 tp -128.45 85.91 59.15 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.207 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -84.38 25.73 0.68 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 121.662 1.574 . . . . 15.0 113.142 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -104.5 127.71 52.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.744 0.307 . . . . 15.0 110.271 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.59 -36.66 81.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 15.0 111.472 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -62.91 -35.66 80.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.492 -0.322 . . . . 15.0 111.65 -176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.405 ' OG ' HD21 ' A' ' 117' ' ' LEU . 93.8 p -115.81 155.19 28.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.781 0.324 . . . . 15.0 110.67 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' HA ' HD23 ' A' ' 117' ' ' LEU . . . -146.64 149.37 33.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 15.0 110.726 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 44.3 mt -129.16 83.09 66.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.015 -0.539 . . . . 15.0 110.105 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 81.25 2.46 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.412 1.408 . . . . 15.0 112.528 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.34 125.57 50.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 15.0 110.032 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.68 129.55 46.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 15.0 110.77 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.58 -36.67 92.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.384 -0.687 . . . . 15.0 111.384 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.0 m -60.58 153.18 24.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.926 0.393 . . . . 15.0 110.929 -178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.82 87.81 54.87 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.911 -0.586 . . . . 15.0 110.086 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -46.51 -44.62 20.74 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.474 1.449 . . . . 15.0 112.796 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.1 tp -57.94 -37.8 74.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.507 -0.315 . . . . 15.0 111.166 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.5 t -102.36 132.85 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.994 0.426 . . . . 15.0 110.372 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -101.74 145.45 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 15.0 110.449 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.38 157.37 45.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 15.0 110.432 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -150.56 -175.03 22.19 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.111 -0.795 . . . . 15.0 111.111 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 138.55 37.02 0.13 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.309 -0.716 . . . . 15.0 111.309 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.7 t -124.53 136.16 61.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.929 -0.397 . . . . 15.0 109.929 179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -103.81 152.42 21.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.307 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 103.6 -32.59 7.39 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 121.179 -0.534 . . . . 15.0 111.772 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -96.72 14.23 25.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.822 0.675 . . . . 15.0 112.822 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 35.5 m -57.48 -39.34 76.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 117.905 0.32 . . . . 15.0 110.799 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -55.93 -39.67 72.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.945 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.81 37.94 66.07 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 89.0 p -122.99 156.21 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 15.0 110.583 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 82.39 25.12 52.27 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-N 116.025 -0.534 . . . . 15.0 112.435 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.9 p -131.09 137.76 49.24 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 117.445 0.622 . . . . 15.0 110.412 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.03 -37.86 78.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.056 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.55 -36.83 67.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.497 -0.319 . . . . 15.0 111.217 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.09 140.18 30.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 15.0 110.744 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -142.9 162.41 35.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 15.0 110.641 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -141.35 162.42 35.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.46 . . . . 15.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.941 -1.028 . . . . 15.0 110.502 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.333 -0.617 . . . . 15.0 109.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -55.8 -37.35 68.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 15.0 111.114 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.32 130.15 11.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.047 -0.821 . . . . 15.0 111.047 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -116.45 144.27 44.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.734 0.302 . . . . 15.0 110.358 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -137.87 -12.75 1.48 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.023 0.749 . . . . 15.0 113.023 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -61.46 -34.77 76.0 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 122.177 -0.327 . . . . 15.0 111.6 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -68.94 -22.05 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.679 0.622 . . . . 15.0 112.679 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -82.04 121.5 26.63 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.824 0.345 . . . . 15.0 110.695 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.6 tp -64.27 -37.82 88.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 15.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.68 23.85 7.16 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 121.132 -0.556 . . . . 15.0 112.815 -177.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.5 p -62.27 -30.02 70.83 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 117.418 0.609 . . . . 15.0 111.818 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.41 18.18 5.51 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.894 0.701 . . . . 15.0 112.894 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.5 t -57.12 122.12 11.65 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-O 120.848 0.356 . . . . 15.0 110.527 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.3 -40.34 95.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.068 -0.515 . . . . 15.0 111.355 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.09 127.08 51.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.911 0.386 . . . . 15.0 111.065 -177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.14 -38.27 85.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.899 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.466 HG22 ' H ' ' A' ' 57' ' ' ASN . 34.5 m -119.83 133.96 55.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.06 0.457 . . . . 15.0 110.974 -177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.5 -38.88 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 15.0 111.061 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' H ' HG22 ' A' ' 55' ' ' THR . 81.3 m-20 -81.52 11.64 4.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.089 0.774 . . . . 15.0 113.089 -177.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 m -57.12 -35.31 69.31 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.063 0.392 . . . . 15.0 111.386 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -59.87 -35.81 75.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 15.0 111.404 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -86.25 128.91 34.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 15.0 110.72 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -130.93 23.67 4.95 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.392 0.516 . . . . 15.0 112.392 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -135.32 152.92 51.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.644 0.259 . . . . 15.0 110.468 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.9 tp -101.77 125.75 48.5 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.01 -0.367 . . . . 15.0 110.01 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.49 131.49 43.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 15.0 110.965 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 76' ' ' LEU . 53.7 t80 -121.11 141.96 50.3 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.555 -0.535 . . . . 15.0 109.555 175.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -105.99 142.42 35.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 15.0 110.978 -177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.488 HD12 ' HB2' ' A' ' 108' ' ' GLN . 92.9 mt -85.3 121.17 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.804 -0.634 . . . . 15.0 110.781 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -110.57 147.09 34.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.445 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -54.66 134.89 47.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 15.0 111.19 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -25.21 23.69 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.028 -0.533 . . . . 15.0 112.46 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -107.76 145.6 33.3 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 117.591 0.696 . . . . 15.0 110.416 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.3 p -114.23 163.04 15.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.133 0.492 . . . . 15.0 110.627 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.89 -42.49 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 15.0 110.023 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.62 82.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.555 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -60.13 -44.61 94.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.028 0.442 . . . . 15.0 110.29 -179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.2 mt -58.55 -43.91 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 15.0 110.349 178.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.5 t -59.58 -41.96 91.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.815 -0.63 . . . . 15.0 111.09 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -62.76 -46.51 87.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.122 -178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.9 t -61.39 -43.74 98.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 15.0 111.089 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -76.84 -7.15 54.93 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.336 0.865 . . . . 15.0 113.336 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 t0 59.73 42.49 16.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.372 0.606 . . . . 15.0 110.344 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.2 mt -116.62 148.82 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.644 . . . . 15.0 109.651 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.32 139.73 36.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 15.0 110.516 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.49 -36.87 69.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 15.0 110.882 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.9 t -59.15 -43.91 92.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.88 0.371 . . . . 15.0 110.351 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.2 m -62.17 -44.3 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.171 0.51 . . . . 15.0 110.732 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.06 -44.94 88.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 15.0 109.953 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -60.17 -45.94 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.277 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 70.5 p -54.72 -39.45 68.23 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.958 -0.297 . . . . 15.0 111.344 -176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.1 -53.21 11.62 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.702 -0.399 . . . . 15.0 111.694 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -88.36 8.66 26.52 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.65 0.982 . . . . 15.0 113.65 -174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -52.28 -29.42 23.12 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 122.058 -0.402 . . . . 15.0 112.021 177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -74.18 -35.75 64.0 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.796 -0.362 . . . . 15.0 111.247 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.5 mt -68.15 -41.8 81.04 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.094 -0.242 . . . . 15.0 111.421 -178.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -112.83 147.86 36.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 15.0 111.037 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.4 m -73.19 -40.18 64.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 15.0 111.688 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.3 p -150.13 170.09 19.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 15.0 111.379 -175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.9 mp0 -64.1 -35.36 80.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.847 -0.615 . . . . 15.0 111.299 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.44 -42.7 78.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 15.0 110.766 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.6 -35.46 77.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 15.0 111.262 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.7 mtp -65.14 -47.45 77.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.91 0.386 . . . . 15.0 110.759 178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.9 mmm -59.61 -37.38 78.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.494 -0.321 . . . . 15.0 111.166 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -91.97 16.87 10.2 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.678 0.622 . . . . 15.0 112.678 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.6 145.52 11.69 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.065 0.46 . . . . 15.0 111.468 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -123.6 168.05 13.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 15.0 110.652 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.77 146.22 96.75 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.569 1.512 . . . . 15.0 112.36 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.9 -13.73 56.12 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 119.679 -0.512 . . . . 15.0 113.455 177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.488 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.2 mt-30 -86.82 158.81 19.28 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 117.999 0.9 . . . . 15.0 110.786 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -113.2 151.33 31.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 15.0 111.412 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -126.22 139.39 51.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.303 -0.862 . . . . 15.0 109.475 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 68.3 mt -106.76 132.21 54.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 15.0 110.265 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 mt -120.82 99.16 47.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.331 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.91 116.28 4.22 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.11 1.207 . . . . 15.0 111.413 174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -96.9 132.32 42.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.037 0.446 . . . . 15.0 111.382 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.14 -27.57 69.47 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.703 -0.68 . . . . 15.0 112.143 176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -50.73 -31.07 15.56 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.124 0.416 . . . . 15.0 112.124 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 117' ' ' LEU . 4.9 tt -117.91 79.58 13.76 Favored Pre-proline 0 CA--C 1.535 0.374 0 N-CA-C 110.537 -0.171 . . . . 15.0 110.537 -179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -58.61 154.41 42.82 Favored 'Trans proline' 0 N--CA 1.495 1.617 0 C-N-CA 121.391 1.394 . . . . 15.0 111.915 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -138.69 156.83 47.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 15.0 110.618 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -128.08 147.4 50.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.058 -0.519 . . . . 15.0 110.181 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -142.54 149.89 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.5 m -93.76 -35.53 12.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 15.0 111.666 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' C ' HD12 ' A' ' 124' ' ' LEU . . . -61.6 148.79 41.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 15.0 111.29 -176.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.463 HD12 ' C ' ' A' ' 123' ' ' ALA . 5.5 mp -127.16 73.93 77.08 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.206 -0.452 . . . . 15.0 109.975 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.82 113.13 1.43 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.323 1.349 . . . . 15.0 111.993 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.0 tp -99.76 127.65 45.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.391 . . . . 15.0 110.411 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.5 mt -99.58 140.87 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.562 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 138.61 128.15 2.56 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.081 -0.808 . . . . 15.0 111.081 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -122.86 148.15 45.74 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 15.0 110.199 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.2 73.35 72.17 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.476 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.17 110.77 0.74 Allowed 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.418 1.412 . . . . 15.0 111.742 177.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.39 -39.39 79.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.398 -0.364 . . . . 15.0 110.863 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.39 -38.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.409 -0.359 . . . . 15.0 111.057 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.16 148.74 49.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.834 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.13 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 15.0 110.321 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 177.03 -165.28 35.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.056 -0.818 . . . . 15.0 111.056 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 82.69 37.47 13.7 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.367 -0.693 . . . . 15.0 111.367 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.6 -42.13 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.14 146.91 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 15.0 110.512 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.04 130.16 5.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.032 -0.827 . . . . 15.0 111.032 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.15 -15.75 33.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.806 0.669 . . . . 15.0 112.806 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.7 m -54.82 -39.09 68.17 Favored 'General case' 0 C--O 1.231 0.1 0 O-C-N 122.141 -0.35 . . . . 15.0 111.048 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -90.99 160.66 15.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.471 -0.331 . . . . 15.0 110.779 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.7 121.77 0.93 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.083 -0.807 . . . . 15.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.1 p -61.42 -36.81 81.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.675 0.274 . . . . 15.0 111.129 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 69.63 33.59 71.91 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.783 -0.527 . . . . 15.0 111.783 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.5 p -61.94 -31.94 72.31 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.66 -0.318 . . . . 15.0 111.722 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.34 -34.47 73.89 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.554 0.205 . . . . 15.0 111.554 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -94.05 116.77 29.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.873 0.368 . . . . 15.0 110.788 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 77.5 mt -89.58 5.47 45.47 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.978 0.733 . . . . 15.0 112.978 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -56.13 -37.58 69.65 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 118.14 0.427 . . . . 15.0 111.151 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -115.12 156.57 24.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.865 0.364 . . . . 15.0 110.777 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.985 -1.007 . . . . 15.0 110.588 -179.552 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -99.82 121.34 41.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 15.0 110.394 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.89 -77.51 1.32 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.141 -0.783 . . . . 15.0 111.141 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.31 136.85 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 15.0 110.755 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -96.98 10.35 39.42 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.937 0.718 . . . . 15.0 112.937 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.23 -40.27 81.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.103 0.411 . . . . 15.0 111.003 -178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -57.54 -40.22 78.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.992 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 39.0 tttp -100.76 128.82 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.388 -0.369 . . . . 15.0 110.866 -178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 47' ' ' LEU . 5.8 mp -99.2 126.75 45.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 15.0 110.3 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.14 -37.39 94.84 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.419 -0.672 . . . . 15.0 111.419 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.6 m -120.57 138.55 53.81 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.1 0.476 . . . . 15.0 111.329 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -67.89 -33.85 75.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.596 -0.729 . . . . 15.0 111.495 176.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.0 p -57.74 -33.4 68.42 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.596 0.221 . . . . 15.0 111.596 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -57.73 -35.09 70.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.957 -0.297 . . . . 15.0 111.35 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.5 tp -54.86 -37.65 66.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.572 0.225 . . . . 15.0 111.065 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.8 mt -92.05 126.66 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.883 0.373 . . . . 15.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 m -66.79 -37.09 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 15.0 111.354 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -108.31 136.26 48.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 15.0 111.447 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -104.71 125.29 50.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.604 . . . . 15.0 110.164 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.1 t -60.02 -35.68 75.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 15.0 111.589 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -99.45 109.0 21.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.892 0.377 . . . . 15.0 110.909 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -144.17 -16.49 0.58 Allowed 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.016 0.747 . . . . 15.0 113.016 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.81 -38.82 64.96 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.118 -0.364 . . . . 15.0 111.635 -174.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -145.85 122.9 11.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 15.0 110.989 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.4 mt -108.66 134.2 51.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.523 . . . . 15.0 110.047 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -96.35 131.63 42.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 15.0 111.203 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.48 ' CE2' HD13 ' A' ' 76' ' ' LEU . 43.1 t80 -124.35 142.13 51.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.285 -0.635 . . . . 15.0 109.285 173.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.8 m -112.99 142.45 45.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.042 0.448 . . . . 15.0 111.209 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.5 mt -86.29 125.63 33.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.685 -0.689 . . . . 15.0 110.789 178.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -120.53 151.21 39.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.176 -0.465 . . . . 15.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.34 135.32 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.946 0.403 . . . . 15.0 111.179 -178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.61 -23.61 30.89 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 116.006 -0.543 . . . . 15.0 112.521 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -106.22 144.92 32.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 117.686 0.743 . . . . 15.0 110.595 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 69.7 p -114.24 161.26 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.229 -0.441 . . . . 15.0 110.172 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -57.92 -43.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 15.0 110.135 -178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.05 92.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.424 -0.353 . . . . 15.0 110.732 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -60.68 -45.25 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.927 0.394 . . . . 15.0 110.598 -178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.48 HD13 ' CE2' ' A' ' 65' ' ' TYR . 35.4 tp -60.1 -43.06 95.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 15.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.2 t -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.249 -0.432 . . . . 15.0 111.098 -178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.12 -46.71 86.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 15.0 111.0 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.37 -42.58 96.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.83 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -75.71 -14.91 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.911 0.708 . . . . 15.0 112.911 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.3 t0 62.78 42.86 7.59 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.416 0.627 . . . . 15.0 110.357 -177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -115.76 144.98 22.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.61 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -73.99 135.47 43.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.017 0.437 . . . . 15.0 110.572 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.89 -37.97 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.416 . . . . 15.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.4 t -59.31 -43.41 92.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.864 0.364 . . . . 15.0 110.412 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.3 m -61.51 -44.55 96.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.141 0.496 . . . . 15.0 110.747 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.95 -45.47 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.01 0.433 . . . . 15.0 109.999 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.71 -47.02 87.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.269 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.5 p -54.93 -39.59 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.908 -0.317 . . . . 15.0 111.413 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.1 mt -73.43 -53.2 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 15.0 111.622 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.51 7.86 24.35 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.561 0.949 . . . . 15.0 113.561 -174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -51.67 -29.35 17.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 122.018 -0.426 . . . . 15.0 112.069 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -74.48 -35.9 63.26 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.795 -0.362 . . . . 15.0 111.27 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD11 HD12 ' A' ' 111' ' ' ILE . 82.0 mt -68.34 -42.14 79.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.642 0.258 . . . . 15.0 111.36 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -113.32 147.84 36.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 15.0 110.93 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 m -69.33 -42.05 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.725 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.56 170.02 21.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.016 0.436 . . . . 15.0 111.364 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.26 -34.65 75.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.841 -0.618 . . . . 15.0 111.445 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.09 -43.48 78.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.912 0.387 . . . . 15.0 110.797 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.78 -34.74 76.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.354 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.35 -46.62 82.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 15.0 110.716 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.93 -37.55 79.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.446 -0.343 . . . . 15.0 111.312 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -91.06 15.7 11.1 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.588 0.588 . . . . 15.0 112.588 -178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.28 147.0 10.9 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.019 0.438 . . . . 15.0 111.376 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.28 167.64 16.53 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.746 -0.661 . . . . 15.0 110.5 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_exo -59.19 146.17 95.39 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.481 1.454 . . . . 15.0 112.488 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.75 -14.47 53.19 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.657 -0.524 . . . . 15.0 113.305 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.459 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.6 mt-30 -86.79 155.44 20.3 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-N 118.081 0.941 . . . . 15.0 110.898 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -111.09 149.98 30.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.211 0.529 . . . . 15.0 111.269 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.0 mt -124.55 136.46 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.326 175.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.438 HD12 HD11 ' A' ' 94' ' ' LEU . 70.4 mt -106.92 132.94 52.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.911 0.386 . . . . 15.0 110.328 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 mt -117.79 88.27 29.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 109.356 -0.609 . . . . 15.0 109.356 174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.414 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.1 Cg_endo -91.72 119.76 0.55 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.808 1.672 . . . . 15.0 112.874 -178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 114' ' ' LEU . 5.6 mp -97.04 134.26 40.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.088 176.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -105.82 145.31 31.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.389 -0.369 . . . . 15.0 110.534 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -125.6 152.6 44.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.489 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.7 tp -121.57 82.58 40.65 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.226 -0.443 . . . . 15.0 110.241 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -82.09 103.18 1.29 Allowed 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 121.514 1.476 . . . . 15.0 112.47 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -59.31 -34.59 72.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.475 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.43 -32.95 67.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.66 -0.246 . . . . 15.0 111.604 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -106.82 135.49 48.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.874 0.369 . . . . 15.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.6 m -86.37 22.02 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.903 -0.59 . . . . 15.0 112.534 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.69 145.02 20.24 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.84 0.352 . . . . 15.0 110.961 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -123.75 86.4 53.09 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.497 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.0 118.26 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 121.296 1.33 . . . . 15.0 111.844 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 28.9 tp -56.42 -38.66 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.0 mt -88.86 140.72 29.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.318 . . . . 15.0 110.228 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -137.9 127.15 3.78 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.136 -0.785 . . . . 15.0 111.136 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 m -59.24 -34.98 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.458 0.171 . . . . 15.0 111.351 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -118.6 83.98 23.2 Favored Pre-proline 0 CA--C 1.533 0.298 0 CA-C-N 116.771 -0.195 . . . . 15.0 110.646 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.74 119.9 7.22 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 121.353 1.368 . . . . 15.0 111.972 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 23.5 tp -99.13 128.4 45.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.353 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.7 t -62.82 -39.51 85.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.633 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -54.87 -36.46 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.525 -0.307 . . . . 15.0 111.277 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.444 ' HB3' HG22 ' A' ' 138' ' ' VAL . . . -86.6 119.31 26.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 15.0 110.457 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.7 -37.71 89.21 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.608 -0.597 . . . . 15.0 111.608 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.17 -44.81 93.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 121.165 -0.541 . . . . 15.0 111.779 -176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 135' ' ' ALA . 32.6 m -74.13 -31.6 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.973 -0.291 . . . . 15.0 111.77 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.48 143.47 55.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.843 0.354 . . . . 15.0 110.576 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.91 114.28 2.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.912 -0.875 . . . . 15.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -56.11 -39.32 72.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 15.0 110.99 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.9 m -77.71 135.1 38.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 15.0 110.664 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -109.41 124.56 51.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 15.0 110.429 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -87.3 29.54 5.18 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.074 -0.584 . . . . 15.0 112.255 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.6 t -59.23 -35.5 73.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.074 0.437 . . . . 15.0 111.278 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 70.91 -121.29 9.25 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.753 -0.939 . . . . 15.0 110.753 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 44.3 m -59.42 147.74 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.725 0.298 . . . . 15.0 110.259 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -125.45 144.53 50.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.679 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -116.07 111.17 19.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.079 -0.509 . . . . 15.0 110.263 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 76.1 mt -96.85 140.51 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 15.0 110.469 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -110.6 23.8 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.313 0.486 . . . . 15.0 112.313 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -60.42 -39.23 86.65 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.64 0.257 . . . . 15.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.492 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.066 -0.716 . . . . 15.0 109.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -106.46 149.06 27.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.951 -0.568 . . . . 15.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 42.26 7.67 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.975 -0.85 . . . . 15.0 110.975 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -60.15 -36.98 78.75 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.089 -0.244 . . . . 15.0 111.153 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -109.9 98.45 7.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.909 0.385 . . . . 15.0 110.665 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -66.69 -34.01 76.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 15.0 111.584 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -54.97 -40.58 70.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.678 -0.237 . . . . 15.0 111.221 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -82.72 121.87 27.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.884 0.373 . . . . 15.0 110.833 -178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.3 mt -65.67 -35.07 79.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.951 -0.568 . . . . 15.0 111.409 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.95 -34.99 52.69 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.797 -0.521 . . . . 15.0 111.797 -178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 t -56.52 -37.15 70.04 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.727 -0.278 . . . . 15.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.62 148.8 22.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.89 0.376 . . . . 15.0 110.803 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.0 t -121.85 130.42 53.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.174 -0.466 . . . . 15.0 110.424 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -62.81 -36.58 83.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.015 -0.538 . . . . 15.0 111.367 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 53' ' ' LEU . 7.0 mp -86.7 109.62 19.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 15.0 111.033 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 54' ' ' LEU . 6.5 mp -69.72 -34.45 73.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 15.0 111.46 177.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' HIS . 7.0 t -52.76 -42.06 64.61 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 111.648 0.24 . . . . 15.0 111.648 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' THR . 85.0 t60 -58.69 -43.0 89.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 15.0 110.537 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.07 -32.53 71.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.602 . . . . 15.0 111.891 -178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.4 m -110.22 145.48 37.25 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.142 0.496 . . . . 15.0 111.583 -174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -85.15 -5.24 59.34 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.102 0.779 . . . . 15.0 113.102 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -55.27 -29.91 59.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.083 0.402 . . . . 15.0 111.905 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -49.95 -28.17 6.38 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.315 0.487 . . . . 15.0 112.315 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -117.26 143.18 46.17 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.859 0.362 . . . . 15.0 110.602 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 63' ' ' LEU . 7.7 tt -113.61 129.61 56.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.83 -175.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -96.37 130.44 43.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.442 -0.345 . . . . 15.0 110.962 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.508 ' CE2' HD21 ' A' ' 76' ' ' LEU . 50.4 t80 -118.63 141.02 49.0 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.59 -0.522 . . . . 15.0 109.59 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.1 m -104.96 142.37 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 15.0 111.007 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.79 127.05 34.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.642 . . . . 15.0 110.845 179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -120.94 146.79 46.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 15.0 110.474 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.29 135.29 44.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.367 . . . . 15.0 111.181 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.97 -26.58 16.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 116.032 -0.531 . . . . 15.0 112.371 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -108.81 145.24 35.54 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.48 0.64 . . . . 15.0 110.365 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 73.0 p -114.26 162.12 16.97 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.124 0.487 . . . . 15.0 110.778 -178.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.0 -42.99 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 15.0 109.985 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.41 -38.48 84.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.346 . . . . 15.0 110.634 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 81.9 m-20 -60.11 -44.42 94.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.991 0.424 . . . . 15.0 110.301 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 65' ' ' TYR . 30.9 mt -58.34 -44.44 88.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.098 0.475 . . . . 15.0 110.367 178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.4 t -59.6 -41.64 90.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 15.0 111.334 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -63.59 -47.39 81.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 15.0 111.084 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.8 t -60.32 -42.33 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.773 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.67 -14.86 60.37 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.015 0.746 . . . . 15.0 113.015 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 61.39 43.07 10.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.395 0.616 . . . . 15.0 110.269 -177.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -117.13 146.22 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.592 -0.731 . . . . 15.0 109.628 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -72.85 136.42 45.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.047 0.451 . . . . 15.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.5 mt -56.87 -37.08 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 15.0 110.852 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -58.99 -43.53 91.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.896 0.379 . . . . 15.0 110.379 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.5 m -61.96 -44.79 96.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.118 0.485 . . . . 15.0 110.796 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.93 -45.67 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 15.0 109.991 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -60.06 -46.2 90.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.071 -0.513 . . . . 15.0 111.374 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 79.6 p -54.56 -39.33 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.968 -0.293 . . . . 15.0 111.365 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.77 -52.73 13.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.759 -0.376 . . . . 15.0 111.443 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.65 9.48 21.21 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.563 0.949 . . . . 15.0 113.563 -175.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -52.08 -28.99 19.52 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.079 0.399 . . . . 15.0 112.079 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -72.12 -36.09 69.31 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.845 -0.342 . . . . 15.0 111.284 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.3 mt -71.03 -43.53 67.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 121.004 -0.278 . . . . 15.0 111.485 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -115.77 147.79 40.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.973 0.416 . . . . 15.0 111.04 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -73.61 -40.23 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 15.0 111.842 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.2 p -150.01 170.06 19.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 15.0 111.425 -174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -63.53 -34.74 78.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.724 -0.671 . . . . 15.0 111.386 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.21 -43.71 78.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 15.0 110.812 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.71 -34.63 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 15.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.47 -48.53 74.89 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.878 0.371 . . . . 15.0 110.656 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.13 -37.31 79.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.372 -0.377 . . . . 15.0 111.424 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -90.96 15.76 10.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.767 0.654 . . . . 15.0 112.767 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.03 145.33 17.01 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.007 0.432 . . . . 15.0 111.173 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.407 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -121.85 169.34 9.51 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.54 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 25.1 Cg_exo -59.56 146.23 95.76 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 121.422 1.415 . . . . 15.0 112.329 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 -16.39 54.98 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 116.066 -0.515 . . . . 15.0 113.26 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.516 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.8 mt-30 -86.66 155.64 20.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 117.995 0.898 . . . . 15.0 110.664 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -112.49 149.35 32.75 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.246 0.546 . . . . 15.0 111.204 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.413 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.9 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.292 -0.867 . . . . 15.0 109.276 174.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.0 mt -106.84 133.81 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 15.0 110.275 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.12 90.1 40.84 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.85 -0.614 . . . . 15.0 109.55 175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -77.13 118.96 4.87 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.383 1.388 . . . . 15.0 112.383 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' C ' HD23 ' A' ' 114' ' ' LEU . 8.6 tt -99.35 127.0 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 15.0 110.078 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -118.2 145.72 44.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.323 -0.399 . . . . 15.0 110.835 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.68 27.59 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.965 -0.561 . . . . 15.0 111.668 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.2 tt -123.59 78.44 55.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 110.068 -0.345 . . . . 15.0 110.068 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.32 50.24 2.36 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 121.755 1.637 . . . . 15.0 112.496 -177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -108.36 130.15 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.371 -0.377 . . . . 15.0 110.809 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.86 -34.48 77.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 15.0 111.374 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -107.02 129.62 54.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.693 0.282 . . . . 15.0 110.279 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.6 p -128.53 140.38 51.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.967 0.413 . . . . 15.0 111.163 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.49 -35.1 73.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.858 -0.61 . . . . 15.0 111.031 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.0 mt -79.93 141.6 55.14 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-O 119.355 -0.355 . . . . 15.0 110.32 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -90.11 2.42 5.22 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 121.817 1.678 . . . . 15.0 113.855 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.0 mt -55.61 -35.5 65.93 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 121.164 -0.214 . . . . 15.0 111.118 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 127' ' ' LEU . 5.6 mp -82.27 142.68 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.795 0.331 . . . . 15.0 110.496 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -112.93 155.56 16.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.089 -0.804 . . . . 15.0 111.089 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.0 m -124.32 151.78 43.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.808 0.337 . . . . 15.0 110.335 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -121.86 85.7 45.25 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 116.22 -0.446 . . . . 15.0 110.535 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.62 121.72 9.37 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.304 1.336 . . . . 15.0 112.003 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.2 mt -59.14 -36.57 75.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 15.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.6 t -107.21 135.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 15.0 110.11 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.24 156.35 46.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.643 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -143.16 159.23 42.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.717 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.25 32.59 28.16 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.89 -0.484 . . . . 15.0 111.89 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.9 -34.6 72.21 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.638 -0.585 . . . . 15.0 111.638 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.0 m -62.66 -33.58 60.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 122.76 -0.259 . . . . 15.0 111.638 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 142.99 37.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.817 0.341 . . . . 15.0 110.767 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.58 47.98 0.98 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.952 -0.859 . . . . 15.0 110.952 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -54.32 -37.32 64.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.635 0.255 . . . . 15.0 111.315 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 6.8 t -57.15 138.06 55.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 15.0 110.724 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -140.88 174.03 10.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.72 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -142.87 169.67 25.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.987 -0.845 . . . . 15.0 110.987 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.1 p -152.46 170.45 20.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.787 0.327 . . . . 15.0 110.616 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 81.82 37.78 15.51 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.467 -0.653 . . . . 15.0 111.467 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.3 t -57.52 -37.19 72.62 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.996 -0.282 . . . . 15.0 110.973 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.15 -32.48 72.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.553 -0.294 . . . . 15.0 111.65 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -52.31 -32.42 37.69 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 111.75 0.278 . . . . 15.0 111.75 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.7 mt -79.58 131.42 36.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.948 0.404 . . . . 15.0 110.572 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -67.07 -32.84 74.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.668 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -119.49 158.08 27.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.922 0.391 . . . . 15.0 110.673 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.973 -1.013 . . . . 15.0 110.601 -179.319 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.374 -0.602 . . . . 15.0 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -104.07 136.7 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.573 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.29 -125.39 1.39 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.061 -0.815 . . . . 15.0 111.061 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -57.89 140.14 52.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.827 0.346 . . . . 15.0 110.7 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -118.87 104.49 10.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.407 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -66.65 -27.99 68.12 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.013 0.375 . . . . 15.0 112.013 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -54.72 -37.66 66.13 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.639 0.257 . . . . 15.0 111.163 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -57.17 -40.15 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.504 -0.317 . . . . 15.0 110.673 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.1 tp -58.56 -39.23 79.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.459 -0.337 . . . . 15.0 110.693 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.62 -118.36 9.8 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.399 -0.68 . . . . 15.0 111.399 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' OG ' HD22 ' A' ' 54' ' ' LEU . 52.6 p -65.3 153.27 41.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.001 0.429 . . . . 15.0 111.052 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -112.27 19.33 17.8 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.825 -0.625 . . . . 15.0 112.296 178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -112.42 133.36 54.55 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 120.917 0.389 . . . . 15.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -62.56 -33.28 74.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 15.0 111.545 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.7 mt -53.24 -30.62 39.11 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.662 0.245 . . . . 15.0 111.662 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD22 ' OG ' ' A' ' 49' ' ' SER . 25.0 tp -62.16 122.84 16.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.054 0.454 . . . . 15.0 110.543 -177.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -63.25 -34.79 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.795 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -53.04 -37.61 61.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.662 -0.244 . . . . 15.0 111.623 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -55.29 -35.83 65.51 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.067 -0.253 . . . . 15.0 111.389 -177.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.1 m -110.53 136.14 50.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.022 0.439 . . . . 15.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -66.04 -39.25 90.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.801 -0.636 . . . . 15.0 111.139 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -84.57 124.32 31.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 15.0 110.752 -177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.4 p-10 -130.94 32.94 4.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.051 -0.522 . . . . 15.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.75 144.42 49.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.583 0.23 . . . . 15.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.4 mt -107.34 128.28 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 15.0 110.567 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -96.43 130.62 43.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.864 177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 76' ' ' LEU . 44.1 t80 -123.61 142.31 51.16 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.404 -0.591 . . . . 15.0 109.404 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.9 m -113.1 142.49 45.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.995 0.426 . . . . 15.0 110.99 -177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.448 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.6 mt -84.34 118.86 24.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.48 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -108.53 153.98 22.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.171 -0.468 . . . . 15.0 110.617 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -54.13 133.57 44.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.376 . . . . 15.0 111.307 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.98 -21.95 38.47 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 116.023 -0.535 . . . . 15.0 112.8 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -107.46 144.16 34.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 117.737 0.769 . . . . 15.0 110.76 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.3 p -114.33 162.84 16.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.082 -0.508 . . . . 15.0 110.03 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.63 -43.11 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.181 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.83 97.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.458 -0.337 . . . . 15.0 110.813 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -60.87 -44.66 96.76 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.791 -0.363 . . . . 15.0 110.713 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 65' ' ' TYR . 30.1 tp -59.38 -43.44 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.997 0.427 . . . . 15.0 110.297 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.1 t -60.02 -42.13 93.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.139 -0.482 . . . . 15.0 111.05 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -62.32 -46.04 90.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.838 0.352 . . . . 15.0 110.992 -178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.6 t -61.88 -43.17 99.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 111.194 -177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -79.62 -1.72 39.35 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.304 0.853 . . . . 15.0 113.304 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.3 t0 58.59 41.94 21.5 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.263 0.554 . . . . 15.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.9 mt -114.21 146.78 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 15.0 109.635 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -82.63 135.8 34.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.031 0.443 . . . . 15.0 110.61 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.72 -37.91 71.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 15.0 110.81 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.2 t -59.51 -43.83 93.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.835 0.35 . . . . 15.0 110.485 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.7 m -61.84 -44.85 96.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.043 0.449 . . . . 15.0 110.725 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.01 -44.79 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 15.0 109.993 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -60.03 -46.97 87.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 15.0 111.299 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p -55.15 -39.58 69.64 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.949 -0.3 . . . . 15.0 111.385 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -74.02 -53.21 10.52 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.812 -0.355 . . . . 15.0 111.759 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.55 7.56 25.67 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 113.555 0.946 . . . . 15.0 113.555 -174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -51.37 -28.65 13.1 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.182 0.438 . . . . 15.0 112.182 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.0 p-80 -74.61 -36.53 62.97 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.88 -0.328 . . . . 15.0 111.196 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.13 -41.38 81.78 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.258 . . . . 15.0 111.41 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -111.14 147.83 34.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.905 0.383 . . . . 15.0 111.025 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -68.77 -41.8 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 15.0 111.493 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -153.26 170.05 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 15.0 111.208 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.74 -34.69 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.767 -0.651 . . . . 15.0 111.469 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 t -56.27 -42.94 78.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.857 0.361 . . . . 15.0 110.852 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.67 -35.44 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.412 -0.358 . . . . 15.0 111.287 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.17 -45.74 83.66 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.833 -0.347 . . . . 15.0 110.816 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.36 -38.04 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.505 -0.316 . . . . 15.0 111.207 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -92.43 16.32 12.09 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.66 0.615 . . . . 15.0 112.66 -179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.02 147.73 12.01 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 121.03 0.443 . . . . 15.0 111.214 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.55 169.45 11.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.743 -0.662 . . . . 15.0 110.665 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.82 146.28 97.7 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.604 1.536 . . . . 15.0 112.375 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -14.61 52.18 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 119.634 -0.537 . . . . 15.0 113.295 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 155.72 20.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 118.036 0.918 . . . . 15.0 110.939 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.15 148.24 31.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.23 0.538 . . . . 15.0 111.227 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.2 mt -125.51 135.49 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.333 175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 67.2 mt -106.92 134.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.885 0.374 . . . . 15.0 110.313 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.44 91.58 41.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.834 -0.621 . . . . 15.0 110.028 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' HD13 ' A' ' 90' ' ' LEU . 92.8 Cg_endo -92.6 99.13 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.779 1.653 . . . . 15.0 112.216 177.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.9 mt -97.51 139.32 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.426 -0.352 . . . . 15.0 110.711 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -126.82 148.53 49.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 15.0 110.477 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -122.21 150.95 41.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 15.0 110.374 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.8 tp -123.75 78.76 56.61 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.235 -0.439 . . . . 15.0 110.305 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.39 -17.99 23.27 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 121.446 1.431 . . . . 15.0 113.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -93.95 130.55 40.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.853 0.359 . . . . 15.0 110.909 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -109.98 142.06 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.437 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -132.71 149.04 52.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.962 0.411 . . . . 15.0 110.793 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.2 t -85.96 -30.29 22.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.042 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.96 148.34 13.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.773 0.32 . . . . 15.0 111.029 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.37 77.4 72.61 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.461 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -86.61 107.59 0.78 Allowed 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.581 1.521 . . . . 15.0 111.994 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.4 mt -93.81 134.7 35.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.564 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 127' ' ' LEU . 5.8 mp -106.35 129.12 54.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 15.0 110.437 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -61.31 -35.52 91.06 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.637 -0.585 . . . . 15.0 111.637 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.7 p -59.85 -32.18 70.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.791 0.293 . . . . 15.0 111.791 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -80.02 148.14 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 C-N-CA 120.924 -0.31 . . . . 15.0 110.435 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -89.31 -26.87 0.41 Allowed 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.693 1.595 . . . . 15.0 113.172 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.1 -35.44 69.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.606 -0.27 . . . . 15.0 111.312 -177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.67 152.74 22.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.981 0.419 . . . . 15.0 110.852 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -140.79 154.89 46.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.873 -0.603 . . . . 15.0 110.622 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -137.94 130.57 29.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.306 -0.406 . . . . 15.0 110.685 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.29 -36.56 93.22 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.443 -0.663 . . . . 15.0 111.443 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.85 -33.22 49.45 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.792 -0.523 . . . . 15.0 111.792 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.51 142.52 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.969 0.414 . . . . 15.0 110.902 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.92 34.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 15.0 110.342 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.65 45.34 1.32 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.063 -0.815 . . . . 15.0 111.063 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -54.65 -38.91 67.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 15.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.5 m -57.1 -39.21 74.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.805 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -96.35 153.22 17.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.399 -0.364 . . . . 15.0 110.521 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 81.48 38.59 14.12 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.158 -0.777 . . . . 15.0 111.158 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.2 t -113.63 131.31 56.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.922 0.392 . . . . 15.0 110.648 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -62.62 -36.65 93.54 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.483 -0.647 . . . . 15.0 111.483 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 m -56.24 -37.44 69.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.592 0.234 . . . . 15.0 111.061 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.95 -35.26 77.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.656 -0.247 . . . . 15.0 111.326 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -97.47 120.64 38.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.351 . . . . 15.0 110.469 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.3 tp -56.87 -38.86 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 15.0 110.99 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -113.74 106.68 14.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 15.0 110.158 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -63.88 -47.39 80.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.153 -0.476 . . . . 15.0 111.187 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.013 -0.994 . . . . 15.0 110.637 -179.71 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.387 -0.597 . . . . 15.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -87.96 157.46 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 15.0 110.6 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.89 36.75 17.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.458 -0.657 . . . . 15.0 111.458 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -66.51 128.48 36.37 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.788 0.328 . . . . 15.0 110.592 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -64.68 -38.93 92.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 15.0 110.907 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -117.76 131.75 56.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.432 -0.349 . . . . 15.0 110.481 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -76.98 -21.28 54.95 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.485 0.55 . . . . 15.0 112.485 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -86.3 125.2 33.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.84 0.352 . . . . 15.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -65.76 -36.46 83.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 15.0 111.2 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.39 118.08 6.54 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.395 -0.682 . . . . 15.0 111.395 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.2 m -61.22 -34.57 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.547 0.213 . . . . 15.0 111.411 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -55.04 -37.05 66.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.579 0.228 . . . . 15.0 111.33 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -57.87 -33.0 68.23 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.994 -0.282 . . . . 15.0 111.583 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -57.34 -37.64 72.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.584 0.231 . . . . 15.0 111.052 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.4 tp -94.31 129.79 40.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 15.0 110.728 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -100.84 136.8 40.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 15.0 110.697 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -70.85 -30.17 66.51 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.066 -0.516 . . . . 15.0 111.85 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -55.3 -38.23 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.601 0.238 . . . . 15.0 111.079 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -53.46 -34.84 59.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.556 -0.293 . . . . 15.0 111.577 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.4 t -86.95 148.83 25.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.89 0.376 . . . . 15.0 110.649 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -136.54 164.63 27.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.615 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -159.7 -32.77 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 15.0 111.669 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.6 p-10 -60.5 132.72 54.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 15.0 111.304 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -133.74 158.97 41.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.868 -0.606 . . . . 15.0 110.244 178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' C ' HD23 ' A' ' 63' ' ' LEU . 8.3 tt -100.73 123.74 45.36 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.94 -0.393 . . . . 15.0 109.94 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -96.48 133.0 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 15.0 111.2 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 76' ' ' LEU . 51.0 t80 -121.26 141.86 50.49 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.541 -0.54 . . . . 15.0 109.541 174.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.1 m -104.5 142.09 35.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.02 0.438 . . . . 15.0 111.221 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.6 mt -86.36 129.98 34.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.763 -0.653 . . . . 15.0 110.791 178.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -127.11 143.39 51.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.65 135.16 35.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.831 0.348 . . . . 15.0 111.415 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.33 -28.07 11.53 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-N 116.029 -0.532 . . . . 15.0 112.152 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -109.06 146.22 34.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 117.391 0.596 . . . . 15.0 110.296 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 71.6 p -114.18 162.07 16.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.179 0.514 . . . . 15.0 110.794 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.88 -42.34 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 15.0 110.04 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -39.23 84.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 15.0 110.667 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -60.34 -44.96 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.059 0.457 . . . . 15.0 110.394 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 65' ' ' TYR . 31.8 mt -58.89 -44.05 91.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.477 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -59.91 -42.26 93.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.903 -0.59 . . . . 15.0 111.191 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -62.96 -46.66 86.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.406 . . . . 15.0 111.138 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -61.39 -43.51 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.111 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -77.37 -6.18 52.36 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.357 0.873 . . . . 15.0 113.357 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.7 t0 59.84 42.17 16.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.331 0.586 . . . . 15.0 110.403 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.1 mt -117.07 149.16 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.77 -0.65 . . . . 15.0 109.7 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -83.5 138.87 33.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.968 0.413 . . . . 15.0 110.589 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.57 -38.1 71.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.815 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.18 -43.66 92.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 15.0 110.309 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.5 m -61.57 -44.37 97.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.067 0.46 . . . . 15.0 110.688 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.5 mt -57.96 -45.78 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.963 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -59.8 -46.85 87.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 15.0 111.303 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.2 p -54.64 -39.74 68.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.943 -0.303 . . . . 15.0 111.427 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 HD13 ' A' ' 127' ' ' LEU . 80.9 mt -72.66 -52.13 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 15.0 111.669 178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.31 8.06 22.94 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.607 0.965 . . . . 15.0 113.607 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.92 -26.76 6.3 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.24 0.459 . . . . 15.0 112.24 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.96 -36.67 59.2 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.922 -0.311 . . . . 15.0 111.223 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.638 HD11 HD12 ' A' ' 111' ' ' ILE . 81.9 mt -69.09 -42.47 76.1 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.71 0.291 . . . . 15.0 111.26 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -117.41 147.92 42.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.036 0.446 . . . . 15.0 110.83 -177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.2 m -69.01 -41.4 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.706 -176.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.0 p -152.2 170.06 20.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.954 0.406 . . . . 15.0 111.427 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.12 -34.69 75.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.777 -0.647 . . . . 15.0 111.51 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.06 -44.05 78.52 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.884 0.373 . . . . 15.0 110.827 -177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.75 -34.92 76.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.3 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -64.4 -46.6 82.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 15.0 110.737 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.85 -37.26 78.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.4 -0.363 . . . . 15.0 111.323 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -91.04 16.01 10.45 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.18 146.22 15.59 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.016 0.436 . . . . 15.0 111.2 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.62 166.23 20.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 15.0 110.537 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.46 146.22 75.45 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 121.476 1.451 . . . . 15.0 112.455 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.51 -17.32 50.78 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.678 -0.512 . . . . 15.0 113.178 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.487 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.5 mt-30 -86.74 156.88 19.76 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 117.933 0.866 . . . . 15.0 110.794 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -113.34 150.36 32.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.167 0.508 . . . . 15.0 111.207 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.423 HD11 HD21 ' A' ' 67' ' ' LEU . 83.2 mt -123.32 138.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.4 -0.818 . . . . 15.0 109.392 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 94' ' ' LEU . 69.9 mt -106.8 131.1 57.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.936 0.398 . . . . 15.0 110.289 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.8 mt -118.47 96.41 49.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.812 -0.631 . . . . 15.0 110.139 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' HD13 ' A' ' 90' ' ' LEU . 93.5 Cg_endo -87.66 51.24 2.07 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.566 1.511 . . . . 15.0 112.217 176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.12 137.89 41.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.678 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -109.13 128.14 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 15.0 110.384 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -61.6 -36.08 79.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 15.0 111.268 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.3 tp -119.46 88.58 38.76 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.641 -0.254 . . . . 15.0 110.876 -177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.04 86.44 0.12 Allowed 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.222 1.281 . . . . 15.0 111.788 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.21 -38.49 76.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.174 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -70.37 127.04 31.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.995 0.426 . . . . 15.0 110.738 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.8 -38.6 91.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 15.0 111.173 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.0 p -56.59 160.94 2.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 15.0 110.78 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -137.45 154.29 49.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.702 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.1 mt -125.95 91.89 47.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.82 -0.627 . . . . 15.0 110.201 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -45.2 -31.39 6.01 Favored 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 121.553 1.502 . . . . 15.0 112.943 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.8 mt -56.97 -43.91 82.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.863 0.363 . . . . 15.0 110.637 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.588 HD13 HD21 ' A' ' 90' ' ' LEU . 25.7 tp -101.53 126.12 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 15.0 109.931 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -98.22 144.54 17.31 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.301 -0.72 . . . . 15.0 111.301 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 50.4 m -124.41 151.24 44.7 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.167 -0.309 . . . . 15.0 110.167 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.41 76.28 44.18 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 116.49 -0.323 . . . . 15.0 110.535 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.73 101.35 0.12 Allowed 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.415 1.41 . . . . 15.0 111.835 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.83 -37.96 77.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 15.0 111.017 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.42 -41.85 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.331 . . . . 15.0 110.141 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.46 146.59 53.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 15.0 110.67 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.95 153.0 44.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.538 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.12 117.05 0.62 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.066 -0.814 . . . . 15.0 111.066 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.8 -39.12 86.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.042 -0.823 . . . . 15.0 111.042 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.06 -41.61 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.088 -0.338 . . . . 15.0 110.088 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.29 148.17 45.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 15.0 110.607 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -132.64 162.02 24.07 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.833 -0.907 . . . . 15.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.06 156.43 46.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.796 0.331 . . . . 15.0 110.436 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.6 t -122.68 38.98 4.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 15.0 110.767 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -55.34 -38.52 68.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.325 -0.398 . . . . 15.0 111.047 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 70.0 38.81 74.43 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.183 -0.767 . . . . 15.0 111.183 178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.6 t -109.54 139.98 43.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 15.0 110.546 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -104.2 -37.8 2.81 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.337 -0.705 . . . . 15.0 111.337 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -111.09 133.92 53.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.866 0.365 . . . . 15.0 110.786 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.19 -35.71 81.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 15.0 111.247 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -99.35 118.63 36.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.816 0.341 . . . . 15.0 110.616 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.18 -40.5 96.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.893 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -67.5 -34.78 77.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.351 . . . . 15.0 111.577 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -98.31 130.86 44.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 15.0 110.676 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.01 -0.995 . . . . 15.0 110.482 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -99.05 113.66 25.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.655 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.1 -28.1 48.0 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 116.12 -0.491 . . . . 15.0 112.475 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.47 -30.93 65.46 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.088 0.403 . . . . 15.0 112.088 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -77.47 10.45 2.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.225 0.824 . . . . 15.0 113.225 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.442 ' HB3' HD12 ' A' ' 47' ' ' LEU . 11.7 t80 -121.09 130.68 53.86 Favored 'General case' 0 N--CA 1.461 0.111 0 N-CA-C 109.857 -0.423 . . . . 15.0 109.857 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.51 -48.33 78.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.355 -0.384 . . . . 15.0 111.94 -174.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.96 -39.69 90.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.883 -0.327 . . . . 15.0 111.456 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HB3' ' A' ' 44' ' ' TYR . 84.8 mt -62.46 -39.06 92.2 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.897 -0.321 . . . . 15.0 110.969 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.65 -38.75 96.39 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.456 -0.658 . . . . 15.0 111.456 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.8 p -62.58 -33.75 75.58 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.723 0.268 . . . . 15.0 111.723 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -57.98 -40.64 81.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.764 0.316 . . . . 15.0 110.941 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -64.69 -34.39 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.306 -0.407 . . . . 15.0 111.668 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.19 -38.37 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.661 0.267 . . . . 15.0 111.21 -178.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.81 -39.56 85.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.141 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.3 mt -105.85 142.03 36.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 15.0 111.121 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.3 m -122.34 132.61 54.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 15.0 109.947 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -105.83 -34.08 7.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.373 -0.376 . . . . 15.0 111.759 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -82.42 155.75 24.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.98 0.419 . . . . 15.0 111.48 -175.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.3 t -132.4 131.09 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.909 -0.587 . . . . 15.0 110.265 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -63.57 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.392 -0.367 . . . . 15.0 110.601 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -108.54 125.62 52.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.386 . . . . 15.0 110.73 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -61.43 -41.18 96.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.596 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -149.07 162.78 39.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.725 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.8 tp -105.85 130.27 53.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 15.0 110.949 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -96.29 130.47 43.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 15.0 110.762 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD13 ' A' ' 76' ' ' LEU . 35.6 t80 -125.26 143.52 50.91 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.463 -0.569 . . . . 15.0 109.463 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.5 m -114.74 142.44 46.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.034 0.445 . . . . 15.0 111.106 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 110' ' ' ILE . 93.3 mt -84.35 127.3 33.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.883 -0.598 . . . . 15.0 110.744 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -124.96 145.69 49.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.488 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.18 134.71 32.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 15.0 111.53 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.46 -26.73 17.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.964 -0.562 . . . . 15.0 112.228 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -107.5 145.41 33.13 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 117.371 0.585 . . . . 15.0 110.454 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.6 p -114.22 161.6 17.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.241 -0.436 . . . . 15.0 110.133 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.5 t -57.56 -44.28 84.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 15.0 110.187 -177.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.47 -39.99 92.89 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.799 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.76 -45.22 95.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 15.0 110.56 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 65' ' ' TYR . 27.7 tp -59.91 -43.14 95.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 15.0 110.344 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 t -59.78 -40.71 89.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 15.0 111.083 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -62.99 -46.49 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.37 -0.377 . . . . 15.0 110.976 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.3 t -60.44 -42.54 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.78 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -75.66 -14.97 60.38 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.905 0.706 . . . . 15.0 112.905 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 29.1 t0 63.1 42.55 7.16 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.317 0.579 . . . . 15.0 110.35 -177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.1 mt -115.31 145.01 21.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 15.0 109.583 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -74.79 135.7 41.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 15.0 110.638 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.72 -37.73 71.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.339 -0.391 . . . . 15.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 t -58.95 -42.82 90.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 15.0 110.386 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.9 m -61.28 -44.09 97.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.17 0.509 . . . . 15.0 110.624 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.84 -44.68 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 15.0 109.995 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -59.6 -48.09 83.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.043 -0.526 . . . . 15.0 111.258 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.7 p -54.88 -39.27 68.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.978 -0.289 . . . . 15.0 111.479 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.6 mt -73.44 -52.96 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.786 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.43 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.8 m-80 -85.49 6.14 28.24 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.628 0.973 . . . . 15.0 113.628 -174.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -51.07 -30.18 15.08 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.934 -0.479 . . . . 15.0 112.133 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -76.08 -36.28 59.02 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.771 -0.372 . . . . 15.0 111.301 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.691 HD11 HD12 ' A' ' 111' ' ' ILE . 82.7 mt -66.47 -40.65 89.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.655 0.264 . . . . 15.0 111.258 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -110.72 147.92 33.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 15.0 110.926 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -71.09 -41.18 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.977 -0.556 . . . . 15.0 111.548 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -152.05 170.01 20.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.088 0.471 . . . . 15.0 111.38 -175.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.38 -35.05 76.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.776 -0.647 . . . . 15.0 111.509 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.08 -43.13 77.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.875 0.369 . . . . 15.0 110.999 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.99 -35.28 78.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 15.0 111.356 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.5 mtp -65.45 -46.48 79.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.839 0.352 . . . . 15.0 110.855 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.64 -37.24 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.478 -0.328 . . . . 15.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -91.32 16.37 10.19 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.603 0.594 . . . . 15.0 112.603 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.14 16.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.049 0.452 . . . . 15.0 111.349 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.32 166.9 23.38 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.707 -0.679 . . . . 15.0 110.578 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.37 146.19 84.12 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 121.589 1.526 . . . . 15.0 112.476 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.17 -16.85 49.16 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-O 119.777 -0.457 . . . . 15.0 113.235 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -86.73 157.09 19.7 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 117.908 0.854 . . . . 15.0 110.998 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -108.25 147.58 31.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.274 0.559 . . . . 15.0 111.215 -177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 67' ' ' LEU . 86.2 mt -125.35 137.21 58.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.326 -0.852 . . . . 15.0 109.297 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.691 HD12 HD11 ' A' ' 94' ' ' LEU . 66.6 mt -106.81 135.8 43.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.008 0.432 . . . . 15.0 110.323 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt -115.51 89.15 21.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.822 -0.626 . . . . 15.0 109.46 175.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.4 Cg_endo -78.3 127.09 8.07 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.431 1.421 . . . . 15.0 112.455 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.4 mt -97.33 139.03 33.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 15.0 110.385 178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -84.51 -2.29 57.09 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 113.162 0.801 . . . . 15.0 113.162 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -57.86 -35.19 70.61 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.188 0.449 . . . . 15.0 111.223 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 117' ' ' LEU . 4.8 tt -117.11 85.13 17.9 Favored Pre-proline 0 CA--C 1.533 0.291 0 N-CA-C 110.287 -0.264 . . . . 15.0 110.287 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.68 90.78 0.29 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.366 1.377 . . . . 15.0 112.051 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -101.84 131.01 48.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 15.0 110.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -111.21 155.27 23.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 15.0 110.605 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.462 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 45.8 p90 -126.45 145.14 50.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.741 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.1 p -86.58 -9.82 55.27 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.135 0.791 . . . . 15.0 113.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 121' ' ' TYR . . . -56.56 138.79 51.47 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 118.069 0.395 . . . . 15.0 110.685 -178.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.0 tp -136.16 85.79 26.9 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -62.67 86.68 0.11 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.271 1.314 . . . . 15.0 111.776 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.2 tp -59.19 -38.01 78.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 15.0 111.067 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.6 mt -56.85 -40.1 75.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.715 0.293 . . . . 15.0 110.757 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.4 35.84 63.2 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.528 -0.629 . . . . 15.0 111.528 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 91.4 p -131.67 153.96 49.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.714 0.292 . . . . 15.0 110.619 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -143.52 151.15 53.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 15.0 110.537 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.79 -31.66 0.16 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 121.657 1.572 . . . . 15.0 112.803 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.78 -35.7 75.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.393 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.8 m -60.54 -38.29 77.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.639 0.257 . . . . 15.0 111.06 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.27 142.33 58.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.557 -0.292 . . . . 15.0 110.467 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -116.79 -78.43 0.58 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.336 -0.393 . . . . 15.0 110.504 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.43 36.68 54.53 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.339 -0.704 . . . . 15.0 111.339 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.12 -32.97 60.37 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.856 -0.498 . . . . 15.0 111.856 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.7 136.54 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-O 120.979 0.419 . . . . 15.0 110.714 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.74 -40.46 88.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.945 -0.571 . . . . 15.0 110.699 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 95.92 -34.77 4.7 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.719 -0.552 . . . . 15.0 111.719 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -123.57 141.05 52.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.866 0.365 . . . . 15.0 110.723 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.6 m -124.03 136.79 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 15.0 110.195 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -108.6 132.28 54.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.264 -0.425 . . . . 15.0 110.596 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -99.88 32.18 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 121.161 -0.542 . . . . 15.0 111.846 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.5 t -140.56 151.98 45.15 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 122.641 -0.329 . . . . 15.0 110.38 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 79.64 40.8 14.18 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.926 -0.87 . . . . 15.0 110.926 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 86.0 p -58.73 -32.9 69.64 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.148 -0.221 . . . . 15.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.35 -38.04 73.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.642 0.258 . . . . 15.0 110.951 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -105.61 114.75 29.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.67 0.272 . . . . 15.0 110.472 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.44 131.15 45.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.375 -0.375 . . . . 15.0 110.674 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.54 -41.69 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 15.0 110.53 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -101.91 130.83 48.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 15.0 110.483 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.05 -0.976 . . . . 15.0 110.402 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.426 -0.583 . . . . 15.0 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -55.8 -37.08 68.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 15.0 111.142 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.09 37.28 3.68 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.362 -0.695 . . . . 15.0 111.362 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -54.66 -28.8 49.9 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.104 0.409 . . . . 15.0 112.104 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -49.95 -19.8 0.78 Allowed 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.891 0.7 . . . . 15.0 112.891 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -49.93 -39.16 39.33 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.133 0.419 . . . . 15.0 112.133 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.79 124.75 45.38 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.198 -0.297 . . . . 15.0 110.198 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.7 -42.03 98.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.671 -176.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.7 mt -95.96 131.1 42.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.006 0.432 . . . . 15.0 111.104 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -37.46 94.59 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.287 -0.725 . . . . 15.0 111.287 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.5 p -119.91 139.76 51.92 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.082 0.468 . . . . 15.0 111.213 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.69 -28.82 63.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.654 -0.703 . . . . 15.0 112.04 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.3 p -55.55 -28.75 56.71 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.235 0.457 . . . . 15.0 112.235 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -55.92 -36.84 68.15 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 121.008 -0.277 . . . . 15.0 111.293 -178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.57 -37.75 73.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.6 -0.273 . . . . 15.0 111.164 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.2 mt -97.94 134.22 41.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.83 0.348 . . . . 15.0 110.83 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.2 p -121.68 21.34 10.85 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.124 -0.489 . . . . 15.0 112.311 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -56.91 -36.34 70.06 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 122.307 -0.246 . . . . 15.0 111.453 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -90.02 139.87 30.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 15.0 110.996 -176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -116.29 131.49 56.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 15.0 110.257 178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -63.32 -42.64 99.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.746 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -103.79 111.07 23.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.364 -0.38 . . . . 15.0 110.797 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.22 -41.55 96.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.516 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -132.2 162.0 32.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 15.0 110.242 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 26.1 tp -100.72 121.56 41.86 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.05 -0.352 . . . . 15.0 110.05 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -96.4 131.55 42.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 15.0 111.035 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -122.61 143.68 49.6 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.677 -0.49 . . . . 15.0 109.677 174.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -107.21 141.54 38.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.011 0.434 . . . . 15.0 110.998 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.2 mt -85.26 129.21 34.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.866 -0.606 . . . . 15.0 110.762 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -126.95 143.7 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.103 -0.499 . . . . 15.0 110.359 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -52.34 135.22 33.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.353 -0.385 . . . . 15.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.45 -28.22 11.19 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-N 115.973 -0.558 . . . . 15.0 112.083 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -108.61 146.66 33.0 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 117.491 0.646 . . . . 15.0 110.254 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.4 p -114.19 160.4 19.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.234 0.54 . . . . 15.0 111.055 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.9 t -58.02 -42.25 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.047 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.29 -39.13 82.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 15.0 110.686 -179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.17 -45.11 94.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.001 0.429 . . . . 15.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.66 -43.45 89.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 15.0 110.466 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 t -59.49 -43.59 93.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.938 -0.574 . . . . 15.0 111.162 -177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -63.54 -47.09 83.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 15.0 111.165 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.8 t -61.28 -43.13 99.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.26 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -79.4 -4.94 53.41 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.434 0.902 . . . . 15.0 113.434 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t0 59.86 42.2 16.79 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.321 0.581 . . . . 15.0 110.431 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.4 mt -118.71 150.24 21.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.843 -0.617 . . . . 15.0 109.734 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -86.04 138.81 31.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.964 0.411 . . . . 15.0 110.571 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.53 -37.55 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.916 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.3 -44.03 92.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 15.0 110.367 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.4 m -61.93 -43.14 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.109 0.481 . . . . 15.0 110.675 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.6 mt -57.78 -45.47 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 15.0 110.001 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.52 -45.86 92.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.35 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -54.42 -39.25 67.14 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.916 -0.313 . . . . 15.0 111.379 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 113' ' ' PRO . 82.6 mt -73.94 -50.65 19.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 15.0 111.503 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -88.99 11.31 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.57 0.952 . . . . 15.0 113.57 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -50.98 -28.05 9.05 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.902 -0.498 . . . . 15.0 112.103 176.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -72.99 -36.36 67.05 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.249 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.9 -43.47 68.26 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.131 -0.227 . . . . 15.0 111.519 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -114.86 147.88 39.31 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.019 0.438 . . . . 15.0 110.87 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.3 m -79.2 -38.96 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.98 -0.555 . . . . 15.0 111.85 -176.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -153.19 170.06 21.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.097 0.475 . . . . 15.0 111.671 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.16 -35.73 77.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.623 -0.717 . . . . 15.0 111.467 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.1 t -56.18 -44.75 79.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.915 0.388 . . . . 15.0 110.88 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.88 -35.02 77.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 15.0 111.379 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.5 mtp -65.37 -46.5 79.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.834 0.35 . . . . 15.0 110.845 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.9 -37.84 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 15.0 111.071 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -90.96 16.29 9.8 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.592 0.59 . . . . 15.0 112.592 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.81 146.55 10.4 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-O 121.059 0.457 . . . . 15.0 111.406 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -130.26 166.11 29.08 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.656 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.81 146.18 79.57 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.475 1.45 . . . . 15.0 112.549 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.19 -15.56 46.97 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.661 -0.522 . . . . 15.0 113.262 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.496 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.72 155.17 20.47 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 118.03 0.915 . . . . 15.0 110.72 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.44 150.56 31.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.123 0.487 . . . . 15.0 111.242 -177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.8 mt -125.56 135.47 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.503 -0.771 . . . . 15.0 109.425 175.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 68.2 mt -106.86 132.15 54.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 15.0 110.27 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 mt -119.94 96.53 49.45 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 15.0 110.192 177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.466 ' HD2' HD13 ' A' ' 90' ' ' LEU . 74.1 Cg_endo -79.63 86.11 1.73 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.354 1.37 . . . . 15.0 112.077 176.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 78.2 mt -100.5 141.67 33.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 15.0 110.888 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -123.79 132.56 53.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.211 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -134.37 153.2 52.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.944 0.402 . . . . 15.0 110.937 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.4 tp -123.86 82.26 55.41 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.047 -0.524 . . . . 15.0 109.865 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.35 -32.15 61.57 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.335 1.357 . . . . 15.0 112.407 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -101.79 129.22 47.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 15.0 110.731 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -118.82 149.74 41.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.998 -0.546 . . . . 15.0 110.288 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.596 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 11.6 t80 -124.11 127.01 47.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.885 0.374 . . . . 15.0 110.227 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -61.14 -38.27 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 15.0 111.6 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.596 ' HB3' ' CD2' ' A' ' 121' ' ' TYR . . . -60.64 -32.47 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.885 -0.326 . . . . 15.0 111.567 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.81 82.88 17.29 Favored Pre-proline 0 CA--C 1.533 0.303 0 N-CA-C 110.258 -0.275 . . . . 15.0 110.258 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.07 86.1 1.69 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.498 1.465 . . . . 15.0 112.107 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.1 mt -95.53 134.99 37.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 15.0 110.578 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.4 tp -106.5 128.69 54.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 15.0 110.293 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -102.98 -46.66 1.44 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.986 -0.846 . . . . 15.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 46.1 m -63.33 153.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.785 0.326 . . . . 15.0 110.585 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -127.65 78.98 74.21 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.287 -0.415 . . . . 15.0 110.345 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.64 108.05 0.22 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.384 1.389 . . . . 15.0 111.838 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 tp -56.82 -38.89 73.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -117.11 134.46 60.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 110.086 -0.339 . . . . 15.0 110.086 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -104.09 147.53 27.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 15.0 110.403 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.26 153.02 45.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.647 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -141.24 169.21 25.13 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.894 -0.882 . . . . 15.0 110.894 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -140.36 161.23 26.51 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.973 -0.851 . . . . 15.0 110.973 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.83 140.26 44.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.84 0.352 . . . . 15.0 110.486 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -109.38 144.36 37.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.13 -0.486 . . . . 15.0 110.229 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -115.43 -38.98 0.96 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.166 -0.774 . . . . 15.0 111.166 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -115.19 138.43 50.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.702 0.287 . . . . 15.0 110.544 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 144' ' ' GLY . 35.3 m -112.44 129.94 56.15 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.275 -0.421 . . . . 15.0 110.634 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.09 -36.51 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 15.0 111.171 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 142' ' ' THR . . . -55.91 110.61 2.01 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.985 -0.846 . . . . 15.0 110.985 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.7 p -62.87 -31.3 72.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.902 0.334 . . . . 15.0 111.902 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.2 -40.61 75.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.329 -0.708 . . . . 15.0 111.329 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 22.3 m -61.5 -34.95 76.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.645 0.26 . . . . 15.0 111.55 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.33 -27.34 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.398 0.518 . . . . 15.0 112.398 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -49.98 124.16 9.51 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.308 0.575 . . . . 15.0 112.224 -174.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.35 -35.07 77.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.644 -0.707 . . . . 15.0 111.302 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -54.6 -33.98 61.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.747 -0.206 . . . . 15.0 111.408 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.27 -41.73 72.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.726 0.298 . . . . 15.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.98 -1.01 . . . . 15.0 110.542 179.536 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -55.82 -37.07 68.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 15.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.51 -123.84 25.88 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.887 -0.885 . . . . 15.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.61 142.7 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 15.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -109.47 26.45 10.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.177 0.436 . . . . 15.0 112.177 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -65.38 -27.48 68.59 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.085 0.402 . . . . 15.0 112.085 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -53.91 -37.03 63.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.684 0.278 . . . . 15.0 111.337 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -56.62 -38.18 71.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.457 -0.338 . . . . 15.0 110.996 -178.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.7 mt -59.18 -39.1 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.733 0.301 . . . . 15.0 110.814 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.38 80.73 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.442 -0.663 . . . . 15.0 111.442 179.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t -56.7 -34.05 67.06 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.852 -0.205 . . . . 15.0 111.541 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -54.89 -37.22 66.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.511 0.196 . . . . 15.0 111.253 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -117.78 146.04 44.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.92 0.391 . . . . 15.0 110.72 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -134.86 122.28 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 15.0 110.231 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.69 -37.11 82.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.964 -0.562 . . . . 15.0 111.491 -176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.5 mt -92.79 138.23 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 15.0 110.788 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.5 p -70.53 -34.97 72.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 15.0 111.182 177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -115.05 135.06 54.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.845 0.355 . . . . 15.0 110.489 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -106.72 115.13 29.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 15.0 110.538 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 p -77.45 -7.63 56.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.066 0.765 . . . . 15.0 113.066 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.2 141.17 40.35 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 118.169 0.44 . . . . 15.0 110.712 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -108.79 149.13 29.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.003 -0.544 . . . . 15.0 110.419 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -112.73 168.81 9.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 15.0 110.504 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -143.84 160.99 39.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.6 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.46 129.95 55.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.879 0.371 . . . . 15.0 111.052 -174.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -96.34 131.2 43.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 15.0 110.59 176.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -120.77 141.83 50.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.625 -0.509 . . . . 15.0 109.625 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.3 m -104.04 142.1 35.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.963 0.411 . . . . 15.0 111.052 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.4 mt -84.83 129.82 34.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.857 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -127.62 143.31 51.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.931 -0.577 . . . . 15.0 110.119 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 t -52.2 135.29 32.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 15.0 111.446 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.43 -28.53 10.73 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-N 115.918 -0.583 . . . . 15.0 112.032 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -111.8 145.79 38.79 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.469 0.634 . . . . 15.0 110.292 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 70.3 p -114.25 160.27 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.31 0.576 . . . . 15.0 111.045 -178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.05 -41.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.949 -0.569 . . . . 15.0 110.067 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.08 -38.65 79.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.439 -0.346 . . . . 15.0 110.627 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 80.9 m-20 -60.12 -45.14 93.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.931 0.396 . . . . 15.0 110.338 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.9 -43.96 91.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.123 0.487 . . . . 15.0 110.584 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -59.81 -42.99 94.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 15.0 111.034 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -63.02 -45.94 89.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.417 -0.356 . . . . 15.0 111.136 -178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.0 t -61.46 -43.18 99.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 15.0 111.231 -176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -82.15 0.7 39.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.503 0.927 . . . . 15.0 113.503 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.0 t0 58.37 41.86 22.35 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 121.323 0.582 . . . . 15.0 110.561 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.7 mt -115.56 148.49 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.816 -0.629 . . . . 15.0 109.608 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -85.16 139.58 31.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 15.0 110.559 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.42 -37.36 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.902 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -59.08 -43.25 91.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 15.0 110.272 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.6 m -61.47 -43.84 98.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.164 0.507 . . . . 15.0 110.628 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.96 -44.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.453 . . . . 15.0 110.0 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 91.7 t90 -59.53 -47.45 85.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.545 . . . . 15.0 111.223 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 83.4 p -54.89 -39.58 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.907 -0.317 . . . . 15.0 111.345 -175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.472 HD13 ' HD2' ' A' ' 113' ' ' PRO . 83.6 mt -72.47 -51.71 18.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 15.0 111.787 179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.41 8.26 25.39 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.703 1.001 . . . . 15.0 113.703 -172.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -50.21 -28.57 7.76 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 15.0 112.234 177.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -75.61 -36.28 60.3 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.925 -0.31 . . . . 15.0 111.321 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -68.34 -40.95 81.38 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.081 -0.248 . . . . 15.0 111.373 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -112.96 147.9 36.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 15.0 111.112 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.9 m -76.44 -38.6 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.948 -0.569 . . . . 15.0 111.508 -176.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 80.8 p -148.88 169.96 19.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.015 0.436 . . . . 15.0 111.317 -175.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.3 mp0 -65.04 -35.32 80.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.814 -0.63 . . . . 15.0 111.335 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.5 t -56.52 -42.43 78.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.842 0.353 . . . . 15.0 110.794 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.56 -35.95 79.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 15.0 111.284 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 86.9 mtp -66.13 -47.4 74.24 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.877 0.37 . . . . 15.0 110.902 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 65.4 mtt -59.74 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.486 -0.325 . . . . 15.0 111.434 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -91.12 15.99 10.65 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.766 0.654 . . . . 15.0 112.766 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.33 143.88 17.75 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.01 0.433 . . . . 15.0 111.369 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.22 169.44 13.47 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 115.641 -0.708 . . . . 15.0 110.624 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 34.6 Cg_exo -54.94 146.2 58.58 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 121.496 1.464 . . . . 15.0 112.531 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.02 -18.54 45.95 Favored Glycine 0 CA--C 1.532 1.142 0 CA-C-O 119.72 -0.489 . . . . 15.0 113.12 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.0 mt-30 -86.79 157.3 19.62 Favored 'General case' 0 N--CA 1.461 0.096 0 CA-C-N 117.824 0.812 . . . . 15.0 110.831 -178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.39 148.12 33.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.17 0.51 . . . . 15.0 111.241 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.438 ' CD1' HD21 ' A' ' 67' ' ' LEU . 87.1 mt -125.35 137.39 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.463 -0.789 . . . . 15.0 109.4 175.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 94' ' ' LEU . 66.1 mt -106.78 132.96 52.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.958 0.408 . . . . 15.0 110.236 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.71 94.88 47.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.808 -0.633 . . . . 15.0 110.02 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' HD13 ' A' ' 90' ' ' LEU . 59.9 Cg_endo -76.82 105.4 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.266 1.311 . . . . 15.0 111.77 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.6 tp -97.57 129.39 44.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 15.0 110.691 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -117.49 135.04 54.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 15.0 110.523 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -103.52 142.27 34.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.231 178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.91 79.59 74.3 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.418 -0.355 . . . . 15.0 110.619 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -82.97 129.74 5.48 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 121.554 1.502 . . . . 15.0 111.834 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -135.01 156.74 48.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.997 0.427 . . . . 15.0 111.043 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -128.84 137.09 51.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.84 -0.618 . . . . 15.0 110.233 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -68.48 -40.75 80.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 15.0 110.769 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.6 p -64.76 -32.64 74.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 15.0 111.753 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.33 155.16 19.81 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.87 0.366 . . . . 15.0 110.891 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.429 ' C ' HD23 ' A' ' 124' ' ' LEU . 5.2 tt -122.12 78.08 42.55 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.161 -0.472 . . . . 15.0 110.128 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -53.71 120.55 8.04 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.381 1.387 . . . . 15.0 112.184 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.6 mt -59.73 -36.26 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 15.0 111.182 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.1 mt -57.4 -34.96 69.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.617 -0.265 . . . . 15.0 111.33 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -52.48 -33.52 40.54 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.879 -0.488 . . . . 15.0 111.879 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -64.46 149.05 49.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 15.0 110.444 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.427 ' HB1' ' HB3' ' A' ' 135' ' ' ALA . . . -123.58 82.05 53.97 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.215 -0.448 . . . . 15.0 110.402 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -45.84 -23.03 1.46 Allowed 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.448 1.432 . . . . 15.0 113.047 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 132' ' ' LEU . 5.7 mp -85.41 133.18 34.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.937 0.398 . . . . 15.0 110.828 -178.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.46 -39.66 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.581 . . . . 15.0 110.433 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -57.67 -36.16 71.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.482 -0.326 . . . . 15.0 111.248 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 130' ' ' ALA . . . -60.69 -38.37 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.978 -0.289 . . . . 15.0 110.945 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.17 -176.68 48.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.989 -0.844 . . . . 15.0 110.989 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 168.94 122.52 0.63 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.023 -0.831 . . . . 15.0 111.023 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.07 135.26 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 110.012 -0.366 . . . . 15.0 110.012 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -104.4 147.95 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 125.58 -96.37 0.49 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.842 -0.903 . . . . 15.0 110.842 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -54.4 -36.82 64.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.578 0.228 . . . . 15.0 111.243 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.8 m -55.54 -38.86 69.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.554 -0.294 . . . . 15.0 110.972 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -96.0 101.6 13.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.776 0.322 . . . . 15.0 110.682 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -59.18 -34.78 81.36 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.77 -0.532 . . . . 15.0 111.77 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -55.13 -35.03 64.26 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 122.784 -0.245 . . . . 15.0 111.426 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -55.18 -38.76 68.23 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.268 -0.733 . . . . 15.0 111.268 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 82.6 p -63.51 -32.66 74.17 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.126 -0.23 . . . . 15.0 111.58 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.99 -34.2 74.43 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.537 0.199 . . . . 15.0 111.537 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -54.64 -37.03 65.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.614 0.245 . . . . 15.0 111.237 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 78.4 mt -98.52 138.66 35.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.589 -0.278 . . . . 15.0 110.479 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -127.33 134.44 49.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.963 0.411 . . . . 15.0 110.843 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -65.65 -37.89 87.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.906 -0.588 . . . . 15.0 111.092 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.212 -0.899 . . . . 15.0 110.836 -178.879 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.331 -0.618 . . . . 15.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -56.66 -39.7 74.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.772 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.24 40.98 60.41 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.258 -0.737 . . . . 15.0 111.258 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.56 -37.41 83.71 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.203 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.78 8.5 28.65 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.15 0.796 . . . . 15.0 113.15 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -58.91 -39.69 82.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 118.021 0.373 . . . . 15.0 111.082 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -58.9 -40.67 85.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.575 -0.284 . . . . 15.0 111.018 -177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -87.18 124.93 33.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.377 -0.374 . . . . 15.0 110.912 -178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 140.56 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 15.0 110.192 177.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.4 -42.46 0.23 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.3 m -118.64 143.82 46.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 15.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -95.81 11.19 34.5 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.962 0.727 . . . . 15.0 112.962 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -58.73 -35.84 73.33 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 117.892 0.315 . . . . 15.0 111.428 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -66.96 133.42 49.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 15.0 110.609 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.2 tp -154.57 -69.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.568 . . . . 15.0 110.266 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.1 mt -99.85 131.25 45.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 15.0 110.39 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.5 m -62.9 -39.97 96.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.837 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.402 . . . . 15.0 111.014 -177.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -111.91 122.48 47.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 15.0 110.742 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -130.52 146.21 52.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.277 -0.419 . . . . 15.0 110.829 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -142.52 160.1 40.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.039 -0.528 . . . . 15.0 110.084 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -142.98 -57.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.801 -0.36 . . . . 15.0 111.736 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -98.18 117.62 32.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.214 0.53 . . . . 15.0 112.02 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ptt-85 -149.0 147.28 28.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.509 -0.768 . . . . 15.0 109.803 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.1 mt -110.1 126.86 54.48 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.785 0.326 . . . . 15.0 111.419 -175.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -96.47 132.3 42.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 15.0 110.561 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.528 ' CE2' HD21 ' A' ' 76' ' ' LEU . 40.2 t80 -125.86 143.66 50.98 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.795 -0.446 . . . . 15.0 109.795 174.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.8 m -110.42 142.35 42.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.026 0.441 . . . . 15.0 111.023 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 108' ' ' GLN . 95.0 mt -86.84 128.41 35.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.824 -0.625 . . . . 15.0 110.919 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -124.19 146.62 48.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.103 0.477 . . . . 15.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.82 136.76 46.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 15.0 110.975 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.43 -26.66 17.67 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 116.054 -0.521 . . . . 15.0 112.269 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -109.83 145.74 36.23 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 117.49 0.645 . . . . 15.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 66.6 p -114.31 162.09 17.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.237 0.541 . . . . 15.0 110.727 -179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -57.9 -41.66 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.063 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.13 84.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.823 -0.351 . . . . 15.0 110.662 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -60.27 -45.08 94.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.046 0.45 . . . . 15.0 110.291 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.7 mt -58.53 -43.61 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.156 0.503 . . . . 15.0 110.385 178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 t -59.63 -42.65 93.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.851 -0.613 . . . . 15.0 111.032 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -63.19 -46.9 84.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.348 -0.387 . . . . 15.0 111.141 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 t -61.15 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 15.0 111.147 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.47 -5.39 52.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.378 0.881 . . . . 15.0 113.378 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.14 42.44 18.81 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.373 0.606 . . . . 15.0 110.359 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 75.1 mt -117.47 149.81 19.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 15.0 109.684 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.97 139.46 32.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 15.0 110.571 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.38 -37.48 70.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 15.0 110.879 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.6 t -58.94 -43.14 91.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.895 0.379 . . . . 15.0 110.373 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.6 m -61.94 -44.42 96.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 15.0 110.82 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 76.0 mt -57.85 -45.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.959 0.409 . . . . 15.0 109.918 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 92.7 t90 -59.26 -47.63 84.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.976 -0.556 . . . . 15.0 111.314 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.76 -39.46 68.38 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.003 -0.279 . . . . 15.0 111.443 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.0 mt -73.67 -53.28 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.847 -0.341 . . . . 15.0 111.71 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -87.21 7.16 29.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.605 0.965 . . . . 15.0 113.605 -174.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.05 -30.41 25.54 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.975 -0.453 . . . . 15.0 111.991 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -73.87 -35.96 64.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.821 -0.352 . . . . 15.0 111.219 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' OD1' ' A' ' 91' ' ' ASN . 82.7 mt -66.38 -40.78 89.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.616 0.246 . . . . 15.0 111.432 -178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.13 147.88 32.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.974 0.416 . . . . 15.0 111.136 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -70.02 -41.69 73.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.78 -0.646 . . . . 15.0 111.628 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.5 p -151.68 170.02 20.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.037 0.446 . . . . 15.0 111.363 -175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.36 -35.62 77.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.656 -0.702 . . . . 15.0 111.39 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 t -56.21 -42.53 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.792 0.329 . . . . 15.0 110.923 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.01 -35.86 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.421 -0.354 . . . . 15.0 111.294 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.2 -46.43 80.77 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.812 0.339 . . . . 15.0 110.726 178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -59.28 -37.72 78.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 15.0 111.146 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -92.83 17.49 10.43 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.58 0.585 . . . . 15.0 112.58 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.58 143.99 14.66 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.125 0.488 . . . . 15.0 111.458 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -129.26 169.49 13.02 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.579 -0.737 . . . . 15.0 110.709 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 29.1 Cg_exo -58.55 146.25 91.77 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.501 1.467 . . . . 15.0 112.429 -178.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.49 -15.55 53.34 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 119.627 -0.541 . . . . 15.0 113.351 176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HB2' HD12 ' A' ' 67' ' ' LEU . 63.3 mt-30 -86.75 155.75 20.21 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 118.016 0.908 . . . . 15.0 110.838 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -111.93 150.15 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.17 0.51 . . . . 15.0 111.246 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 87.7 mt -126.86 139.51 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.348 -0.842 . . . . 15.0 109.533 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 66.5 mt -106.9 135.35 45.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 15.0 110.072 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.5 mt -117.96 94.35 46.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.323 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.509 ' HD2' HD13 ' A' ' 90' ' ' LEU . 95.9 Cg_endo -88.33 124.2 1.67 Allowed 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.593 1.528 . . . . 15.0 111.711 174.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.22 124.1 44.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 15.0 110.501 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -61.79 -34.93 76.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 15.0 111.73 -177.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -55.94 148.4 17.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 15.0 111.024 -176.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 119' ' ' PHE . 7.9 tp -124.06 84.48 55.14 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.343 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.53 -23.84 1.56 Allowed 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.519 1.479 . . . . 15.0 113.292 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 51.6 p90 -107.53 140.53 40.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.796 0.331 . . . . 15.0 110.72 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -92.39 16.59 11.43 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.044 0.757 . . . . 15.0 113.044 -177.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -56.04 -37.59 69.43 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 117.958 0.345 . . . . 15.0 110.848 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.3 p -60.51 133.45 56.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.01 0.433 . . . . 15.0 111.072 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.11 -33.2 69.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.787 -0.642 . . . . 15.0 111.516 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.44 ' C ' HD23 ' A' ' 124' ' ' LEU . 5.3 tt -118.29 79.22 14.76 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 110.538 -0.171 . . . . 15.0 110.538 -178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.58 121.53 10.01 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.422 1.415 . . . . 15.0 112.208 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 126' ' ' LEU . 9.4 tt -57.96 -40.2 80.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.559 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.2 mt -57.92 -33.91 69.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.295 -0.411 . . . . 15.0 111.351 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.49 -32.37 30.78 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.009 -0.437 . . . . 15.0 112.009 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.0 m -113.28 146.23 39.72 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.829 0.347 . . . . 15.0 110.363 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -128.13 85.32 60.85 Favored Pre-proline 0 CA--C 1.532 0.264 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.608 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -62.41 -33.19 80.3 Favored 'Trans proline' 0 N--CA 1.496 1.665 0 C-N-CA 121.28 1.32 . . . . 15.0 111.921 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.94 133.07 40.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 15.0 110.612 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.26 -42.17 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 15.0 110.05 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 142.84 58.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 15.0 110.44 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.54 150.8 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 15.0 110.643 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -110.72 36.21 4.37 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.279 -0.728 . . . . 15.0 111.279 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -102.43 39.51 2.75 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.041 -0.824 . . . . 15.0 111.041 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.52 156.26 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 15.0 110.609 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.85 149.4 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 15.0 110.666 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -107.88 33.71 6.11 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.663 -0.575 . . . . 15.0 111.663 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -58.99 -39.17 80.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.691 0.281 . . . . 15.0 110.975 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.443 HG23 ' N ' ' A' ' 143' ' ' ASN . 6.9 t -55.75 -40.62 72.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 15.0 110.98 -178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.443 ' N ' HG23 ' A' ' 142' ' ' THR . 87.4 m-20 -103.3 125.17 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 15.0 110.598 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.84 -38.06 86.99 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.278 -0.729 . . . . 15.0 111.278 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.2 m -58.0 -39.65 78.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.668 0.27 . . . . 15.0 110.854 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 71.13 36.66 64.01 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.41 -0.676 . . . . 15.0 111.41 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 m -58.2 -38.24 76.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.642 0.258 . . . . 15.0 110.952 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.39 -35.17 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 15.0 111.372 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -54.99 -37.45 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.629 0.252 . . . . 15.0 111.24 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 152' ' ' PHE . 27.7 tp -96.09 127.06 41.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.827 0.346 . . . . 15.0 110.575 -179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -59.62 -41.0 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 15.0 111.042 -178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.504 ' O ' HD23 ' A' ' 150' ' ' LEU . 67.7 t80 -95.66 132.39 40.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.404 . . . . 15.0 110.647 -178.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.966 -1.016 . . . . 15.0 110.502 -179.927 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.362 -0.607 . . . . 15.0 109.362 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -100.79 118.82 37.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.592 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.01 -177.5 50.95 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.986 -0.845 . . . . 15.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -156.45 69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.491 0.662 . . . . 15.0 110.454 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -56.97 -38.44 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 15.0 110.994 179.759 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -74.42 121.23 21.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.946 0.403 . . . . 15.0 110.742 -179.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -115.53 -49.08 2.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 15.0 110.621 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -58.7 -38.98 79.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 15.0 110.873 -178.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.3 tp -58.09 -41.9 84.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 15.0 110.389 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 55.37 32.0 57.31 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.262 -0.494 . . . . 15.0 111.948 178.289 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.3 t -143.87 130.27 19.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.019 0.409 . . . . 15.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -63.88 -36.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.559 . . . . 15.0 111.128 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -116.39 135.35 53.93 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.047 0.451 . . . . 15.0 111.191 -177.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -63.92 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.785 -0.643 . . . . 15.0 110.801 176.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.7 tp -92.18 126.25 37.19 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.958 -0.386 . . . . 15.0 109.958 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.31 133.26 46.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.967 0.413 . . . . 15.0 111.107 -177.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.597 HG21 HD22 ' A' ' 114' ' ' LEU . 32.1 m -63.38 -34.61 78.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 15.0 111.284 176.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -51.69 -31.49 26.18 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.883 0.327 . . . . 15.0 111.883 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -52.08 -36.83 51.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.625 0.25 . . . . 15.0 111.519 -177.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.4 p -72.68 132.3 43.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 15.0 110.542 178.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -69.19 -36.42 77.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 15.0 111.286 179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.5 133.93 40.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 15.0 110.743 -178.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -91.33 10.08 28.89 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.079 0.77 . . . . 15.0 113.079 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -127.39 122.91 34.9 Favored 'General case' 0 C--O 1.231 0.102 0 O-C-N 122.049 -0.407 . . . . 15.0 110.21 179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.5 tp -107.65 131.75 54.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 15.0 110.283 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -96.27 130.1 43.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 15.0 110.898 178.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -122.55 140.88 52.28 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.32 -0.622 . . . . 15.0 109.32 174.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.0 m -109.5 142.23 40.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.0 0.429 . . . . 15.0 111.077 -176.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 108' ' ' GLN . 94.9 mt -86.92 127.48 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.773 -0.649 . . . . 15.0 110.876 178.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -122.97 150.19 43.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.433 179.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -53.92 135.26 42.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 15.0 111.223 -178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.9 -25.88 21.08 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-N 116.03 -0.532 . . . . 15.0 112.395 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -106.22 143.6 34.11 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 117.463 0.632 . . . . 15.0 110.607 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 75' ' ' ASP . 72.3 p -114.16 161.75 17.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.15 -0.477 . . . . 15.0 110.306 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.83 -43.57 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 15.0 110.072 -178.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.91 -40.15 92.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 15.0 110.716 -178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' HG1' ' A' ' 72' ' ' THR . 83.3 m-20 -61.22 -45.63 93.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 15.0 110.577 -177.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.8 tp -60.06 -43.38 95.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 15.0 110.43 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 87' ' ' ILE . 9.0 t -60.37 -41.24 93.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 15.0 111.044 -178.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -62.32 -46.23 89.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 15.0 110.937 -178.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 t -61.34 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 15.0 110.906 -178.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -75.82 -7.9 55.58 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.133 0.79 . . . . 15.0 113.133 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.5 t70 60.3 41.77 15.94 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.215 0.531 . . . . 15.0 110.472 -178.453 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.81 146.19 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 15.0 109.549 178.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -77.98 138.25 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.946 0.403 . . . . 15.0 110.546 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.4 mt -56.69 -38.25 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.35 -0.386 . . . . 15.0 110.789 -179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.8 t -59.47 -43.69 93.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.861 0.363 . . . . 15.0 110.408 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.4 m -62.07 -44.92 95.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.452 . . . . 15.0 110.843 -178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 77' ' ' SER . 71.7 mt -58.15 -44.96 88.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 15.0 110.003 -177.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 30.7 t90 -60.58 -46.65 89.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.184 -0.462 . . . . 15.0 111.359 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 84.1 p -54.92 -38.96 68.33 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.923 -0.311 . . . . 15.0 111.356 -176.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.512 HD13 ' HD2' ' A' ' 113' ' ' PRO . 80.9 mt -73.1 -53.16 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.82 -0.352 . . . . 15.0 111.533 178.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.6 m-80 -86.92 9.36 19.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.528 0.936 . . . . 15.0 113.528 -175.243 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -51.52 -29.71 17.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.068 0.395 . . . . 15.0 112.068 177.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -73.4 -35.98 65.95 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 120.838 -0.345 . . . . 15.0 111.244 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD12 ' OD1' ' A' ' 91' ' ' ASN . 81.7 mt -68.58 -42.2 78.59 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 121.091 -0.244 . . . . 15.0 111.505 -178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -112.76 147.89 35.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.022 0.439 . . . . 15.0 110.919 -177.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.1 m -76.75 -39.61 51.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.937 -0.574 . . . . 15.0 111.957 -176.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.1 p -153.39 170.07 21.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.096 0.474 . . . . 15.0 111.691 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.27 -35.74 78.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.633 -0.712 . . . . 15.0 111.401 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.1 t -56.19 -44.31 79.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 15.0 110.9 -176.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.84 -34.64 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 15.0 111.419 -179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -65.17 -48.21 74.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.853 0.359 . . . . 15.0 110.749 178.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.2 mtp -60.02 -37.54 80.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.42 -0.355 . . . . 15.0 111.355 -178.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -91.87 16.26 11.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.533 0.568 . . . . 15.0 112.533 -178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.83 146.02 14.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.034 0.445 . . . . 15.0 111.241 -179.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 106' ' ' PRO . . . -130.28 169.19 14.1 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.728 -0.669 . . . . 15.0 110.546 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 105' ' ' ALA . 38.3 Cg_exo -57.55 146.21 85.28 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 121.503 1.468 . . . . 15.0 112.389 -179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.35 -14.5 51.07 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-O 119.618 -0.546 . . . . 15.0 113.39 177.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.504 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.5 mt-30 -86.72 154.38 21.0 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-N 118.039 0.919 . . . . 15.0 110.744 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -111.73 150.26 30.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.223 0.535 . . . . 15.0 111.169 -177.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 85.4 mt -125.88 138.88 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.457 -0.792 . . . . 15.0 109.542 175.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 69.5 mt -106.85 132.54 53.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.992 0.425 . . . . 15.0 110.146 179.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.3 mt -113.88 93.85 31.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.81 -0.632 . . . . 15.0 109.771 176.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.512 ' HD2' HD13 ' A' ' 90' ' ' LEU . 97.3 Cg_endo -87.71 126.17 2.13 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.609 1.539 . . . . 15.0 112.331 178.172 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.597 HD22 HG21 ' A' ' 55' ' ' THR . 30.4 tp -58.91 -38.52 79.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 15.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -86.11 123.06 30.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 15.0 110.637 -179.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.947 -0.57 . . . . 15.0 111.326 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.6 tp -120.81 87.07 42.07 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.793 -0.185 . . . . 15.0 111.102 -176.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.48 156.44 14.17 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 121.205 1.27 . . . . 15.0 111.617 176.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -134.95 150.18 50.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.027 0.442 . . . . 15.0 110.781 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -103.75 22.97 13.51 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.956 -0.565 . . . . 15.0 112.393 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -56.2 -39.9 73.16 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.716 0.293 . . . . 15.0 110.854 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 86.5 p -59.21 -31.27 68.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.374 -0.376 . . . . 15.0 111.644 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.24 147.19 26.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.889 0.376 . . . . 15.0 110.567 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.61 86.37 52.69 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.053 -0.521 . . . . 15.0 110.44 -179.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -61.04 118.99 5.91 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.317 1.345 . . . . 15.0 111.979 -178.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.75 -34.38 72.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.931 -0.577 . . . . 15.0 111.556 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.9 mt -79.58 138.73 37.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 15.0 110.689 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -147.49 168.42 28.51 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.882 -0.887 . . . . 15.0 110.882 179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.6 p -142.53 156.11 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 15.0 110.489 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -148.14 88.08 5.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 15.0 110.611 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -46.04 -58.82 1.45 Allowed 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.582 1.521 . . . . 15.0 112.554 179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 78.6 mt -97.73 134.34 41.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 15.0 110.293 178.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 135' ' ' ALA . 43.5 t -125.94 132.85 70.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.282 -0.417 . . . . 15.0 110.153 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.54 -37.61 88.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 15.0 111.072 178.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.441 ' H ' HG12 ' A' ' 133' ' ' VAL . . . -61.59 -34.02 74.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.486 -0.324 . . . . 15.0 111.518 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 71.92 -120.76 8.16 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.847 -0.901 . . . . 15.0 110.847 -178.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.86 135.25 51.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.936 -0.865 . . . . 15.0 110.936 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.42 132.87 69.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.781 0.324 . . . . 15.0 110.269 -179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -102.89 127.85 49.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 15.0 110.311 178.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -60.27 -38.72 95.01 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.172 -0.771 . . . . 15.0 111.172 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -118.03 130.88 56.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.813 0.34 . . . . 15.0 110.572 -179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 37.0 m -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 15.0 110.642 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -107.57 126.31 52.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.613 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -57.7 -38.25 87.2 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 179.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 55.0 p -70.87 161.94 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.701 0.286 . . . . 15.0 110.441 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 76.77 39.24 29.41 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.01 -0.836 . . . . 15.0 111.01 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.4 p -110.41 136.87 48.91 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.979 0.418 . . . . 15.0 110.866 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -68.64 -33.86 74.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.87 -0.605 . . . . 15.0 111.676 179.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -79.52 9.22 5.13 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.25 0.833 . . . . 15.0 113.25 -176.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 tp -104.29 130.95 52.09 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 118.082 0.401 . . . . 15.0 110.325 178.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -106.82 132.32 52.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 15.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -152.85 -37.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 15.0 111.015 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.97 -1.014 . . . . 15.0 110.745 -179.869 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.472 -0.566 . . . . 15.0 109.472 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -103.56 149.45 24.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 15.0 110.484 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.38 -11.37 59.89 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 121.196 -0.525 . . . . 15.0 113.238 -179.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.16 -34.19 74.63 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 117.903 0.852 . . . . 15.0 111.406 179.284 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -54.16 -35.39 62.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.541 0.21 . . . . 15.0 111.446 -179.148 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -98.73 122.55 42.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 15.0 110.686 -179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -160.01 26.58 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 15.0 112.186 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -61.14 -37.66 83.64 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.641 0.258 . . . . 15.0 111.144 179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 28.0 tp -57.51 -39.03 75.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 15.0 110.862 -179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.49 140.67 29.74 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.168 -0.773 . . . . 15.0 111.168 -179.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.6 p -146.1 161.38 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 15.0 110.417 179.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -143.67 90.83 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.926 0.393 . . . . 15.0 110.665 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -60.08 -31.93 70.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 15.0 111.879 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -54.05 -34.5 60.22 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.599 0.222 . . . . 15.0 111.599 -177.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.17 134.97 33.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.985 0.422 . . . . 15.0 110.847 -179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -105.35 134.72 47.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 15.0 109.858 178.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.0 p -95.41 23.59 5.82 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.566 0.58 . . . . 15.0 112.566 -176.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -131.89 125.59 32.1 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.89 0.376 . . . . 15.0 110.583 178.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -111.35 126.92 55.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.115 -0.493 . . . . 15.0 110.506 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.1 t -112.94 137.59 51.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.433 -0.349 . . . . 15.0 110.576 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -135.58 137.04 41.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.708 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -108.07 126.32 52.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 15.0 110.193 177.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.74 -38.11 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 15.0 111.333 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.5 ptt-85 -148.98 161.04 42.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 15.0 111.1 -176.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.6 mp -107.12 133.53 51.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.509 -0.314 . . . . 15.0 110.961 -176.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -96.41 132.64 41.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 15.0 111.102 177.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -122.12 143.73 49.36 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.501 -0.555 . . . . 15.0 109.501 175.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HE22 ' A' ' 109' ' ' GLN . 36.4 m -111.8 142.36 44.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.02 0.438 . . . . 15.0 111.192 -176.138 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD21 HD11 ' A' ' 110' ' ' ILE . 87.7 mt -85.37 127.32 34.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 15.0 110.881 178.369 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -121.63 150.47 41.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.111 -0.495 . . . . 15.0 110.629 -179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.0 t -54.46 136.79 43.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.333 -0.394 . . . . 15.0 111.149 -178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.24 -24.27 28.24 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-N 115.94 -0.573 . . . . 15.0 112.469 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -105.17 144.89 31.34 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 117.619 0.709 . . . . 15.0 110.624 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.2 p -113.89 162.22 16.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 15.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.5 t -57.54 -45.19 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.778 0.323 . . . . 15.0 110.239 -177.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.57 92.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.356 . . . . 15.0 110.699 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -60.86 -45.27 95.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.923 0.392 . . . . 15.0 110.61 -178.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.5 tp -59.8 -42.79 94.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 15.0 110.268 179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -59.71 -41.94 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 15.0 111.04 -178.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -62.93 -46.66 86.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 15.0 111.055 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.2 t -61.56 -43.93 97.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 15.0 111.067 -177.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.512 HE22 HD11 ' A' ' 112' ' ' LEU . 94.5 mt-30 -76.48 -5.93 49.59 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.342 0.867 . . . . 15.0 113.342 -179.457 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t70 59.68 42.46 17.0 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 121.318 0.58 . . . . 15.0 110.417 -178.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 72.7 mt -116.71 146.97 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.762 -0.654 . . . . 15.0 109.71 179.555 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -82.43 137.87 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.919 0.39 . . . . 15.0 110.266 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.8 mt -56.18 -37.51 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.476 -0.329 . . . . 15.0 110.877 -178.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.5 t -59.65 -44.75 93.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.882 0.372 . . . . 15.0 110.374 -179.797 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -61.79 -43.39 98.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 15.0 110.726 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -57.94 -46.07 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 15.0 109.963 -177.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.31 -46.79 88.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 15.0 111.41 179.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.6 p -54.13 -39.07 66.12 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.975 -0.29 . . . . 15.0 111.391 -175.664 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 113' ' ' PRO . 78.5 mt -75.44 -50.92 14.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.0 111.646 178.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -86.43 8.16 22.88 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.716 1.006 . . . . 15.0 113.716 -174.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -52.07 -30.33 25.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.092 0.404 . . . . 15.0 112.092 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -70.85 -36.32 72.82 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.253 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 111' ' ' ILE . 81.8 mt -69.19 -44.15 72.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.611 0.243 . . . . 15.0 111.634 -178.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -109.88 147.91 32.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.995 0.426 . . . . 15.0 110.931 -177.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.9 m -79.94 -37.66 34.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 15.0 111.711 -176.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.9 p -151.09 170.02 20.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.053 0.454 . . . . 15.0 111.54 -174.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -61.65 -37.18 83.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.613 -0.721 . . . . 15.0 111.252 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.9 t -56.43 -43.46 79.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 15.0 111.061 -175.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.56 -35.41 77.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 15.0 111.407 -178.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.8 mtp -65.86 -46.39 78.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.91 0.386 . . . . 15.0 110.827 178.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.3 mtp -59.39 -37.42 77.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.395 -178.295 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -92.05 16.61 10.87 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 112.716 0.636 . . . . 15.0 112.716 -178.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.12 144.28 15.88 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.05 0.452 . . . . 15.0 111.463 -178.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.42 167.01 21.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.642 -0.708 . . . . 15.0 110.45 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.23 146.2 73.01 Favored 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.484 1.456 . . . . 15.0 112.459 -179.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.29 -14.78 54.74 Favored Glycine 0 CA--C 1.532 1.137 0 CA-C-O 119.593 -0.56 . . . . 15.0 113.333 177.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.9 mt-30 -86.72 157.3 19.67 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 118.04 0.92 . . . . 15.0 110.867 -179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.621 HE22 HG23 ' A' ' 66' ' ' THR . 93.7 mm-40 -109.23 149.8 28.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.372 0.606 . . . . 15.0 111.178 -176.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.635 HD11 HD21 ' A' ' 67' ' ' LEU . 79.7 mt -126.81 137.98 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.228 -0.896 . . . . 15.0 109.084 174.397 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 HD11 ' A' ' 94' ' ' LEU . 67.4 mt -106.77 134.58 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.968 0.413 . . . . 15.0 110.486 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.512 HD11 HE22 ' A' ' 80' ' ' GLN . 24.8 mt -121.6 93.0 48.81 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 115.606 -0.725 . . . . 15.0 109.971 176.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' HD13 ' A' ' 90' ' ' LEU . 89.4 Cg_endo -88.79 66.8 2.82 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 121.634 1.556 . . . . 15.0 112.095 176.14 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 27.5 tp -99.17 130.69 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 15.0 110.649 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -124.91 143.48 50.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.772 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -121.34 138.95 54.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 15.0 110.022 177.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 11.0 tp -129.78 79.55 73.19 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.354 -0.384 . . . . 15.0 110.819 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.75 127.92 28.16 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.323 1.349 . . . . 15.0 111.527 177.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -136.72 162.32 33.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.933 0.397 . . . . 15.0 110.913 -178.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -160.05 65.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.461 0.648 . . . . 15.0 109.966 179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -117.51 132.04 56.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.826 -0.625 . . . . 15.0 110.744 -178.795 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.7 p -64.34 -30.66 71.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.75 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.86 68.83 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.703 0.26 . . . . 15.0 111.703 -178.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.5 tp -114.11 85.49 10.3 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 110.603 -0.147 . . . . 15.0 110.603 -178.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -82.28 110.51 2.0 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 121.463 1.442 . . . . 15.0 111.889 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 126' ' ' LEU . 8.7 tt -100.66 127.85 46.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.566 -178.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.22 130.36 45.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 15.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -101.11 40.04 2.55 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.157 -0.777 . . . . 15.0 111.157 -179.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.9 t -114.42 142.31 46.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.871 0.367 . . . . 15.0 110.501 -179.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.4 83.06 65.06 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 116.117 -0.492 . . . . 15.0 110.43 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -47.42 -31.35 13.14 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.476 1.451 . . . . 15.0 112.451 -179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.6 tp -98.31 130.44 44.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.535 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.7 t -119.57 134.48 63.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.194 -0.457 . . . . 15.0 110.09 -179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.99 149.15 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.507 179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -141.39 152.06 44.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 15.0 110.575 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -112.33 34.39 5.19 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.617 -0.593 . . . . 15.0 111.617 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -56.91 -34.98 66.4 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.614 -0.595 . . . . 15.0 111.614 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.96 -33.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.639 0.237 . . . . 15.0 111.639 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.23 -39.53 75.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.628 0.251 . . . . 15.0 110.913 -177.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.55 44.86 62.13 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.944 -0.862 . . . . 15.0 110.944 179.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -53.86 -38.08 64.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.666 0.269 . . . . 15.0 111.35 -178.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 34.4 m -57.3 -41.51 79.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.482 -0.326 . . . . 15.0 110.754 -178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -58.28 -40.51 82.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.39 -0.368 . . . . 15.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 72.97 30.9 62.64 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.226 -0.511 . . . . 15.0 112.01 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.2 t -60.84 -37.68 82.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.967 0.383 . . . . 15.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.4 144.96 46.69 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.207 -0.757 . . . . 15.0 111.207 -178.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.3 m -121.01 137.98 54.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 15.0 110.61 179.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.63 -37.19 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 15.0 111.296 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -101.35 101.59 12.27 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 15.0 110.666 -178.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 80.4 mt -63.88 -35.94 82.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.996 -0.547 . . . . 15.0 111.323 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -120.55 143.21 48.72 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.971 0.415 . . . . 15.0 111.117 -177.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -76.27 -31.46 58.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 15.0 111.725 178.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.125 -0.941 . . . . 15.0 111.11 -179.108 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.364 -0.606 . . . . 15.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.12 -36.74 68.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 15.0 111.157 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -54.84 -34.57 57.25 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.695 -0.562 . . . . 15.0 111.695 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.21 -35.69 74.06 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 122.788 -0.243 . . . . 15.0 111.234 -179.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -103.45 126.85 50.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.733 0.301 . . . . 15.0 110.651 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -120.11 31.46 6.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.143 -0.48 . . . . 15.0 111.761 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -59.29 -36.85 76.33 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 121.135 -0.226 . . . . 15.0 111.28 -179.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -82.03 118.25 22.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 15.0 110.69 -178.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.35 -35.46 81.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 15.0 111.361 178.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -53.17 -34.22 46.88 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.836 -0.506 . . . . 15.0 111.836 -177.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -117.19 145.53 43.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.915 0.388 . . . . 15.0 110.704 -178.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -145.18 92.01 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 15.0 110.281 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.1 p -61.04 -32.35 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 15.0 111.804 -178.253 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -119.14 133.79 55.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.921 0.391 . . . . 15.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' H ' HD12 ' A' ' 53' ' ' LEU . 6.5 mp -65.39 -36.51 84.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 15.0 111.25 178.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -89.66 143.07 27.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.793 0.33 . . . . 15.0 110.671 -178.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.9 t -134.32 151.29 51.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.259 -0.428 . . . . 15.0 110.83 179.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -104.68 22.19 15.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.073 -0.512 . . . . 15.0 112.33 179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -55.18 -37.27 66.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.571 0.224 . . . . 15.0 111.115 -179.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 m -117.12 147.28 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.843 0.354 . . . . 15.0 110.51 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -126.19 135.69 51.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 15.0 110.625 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -116.22 149.7 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 15.0 110.382 179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -134.49 120.3 19.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 15.0 111.079 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -128.8 152.01 48.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.942 -0.572 . . . . 15.0 109.939 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.6 tp -104.8 122.64 46.16 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.859 -0.337 . . . . 15.0 110.559 -178.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -96.4 130.29 43.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 15.0 110.544 176.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.432 ' CE2' HD21 ' A' ' 76' ' ' LEU . 42.3 t80 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.93 -0.396 . . . . 15.0 109.93 176.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 m -107.67 142.45 37.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 15.0 110.695 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 108' ' ' GLN . 86.7 mt -84.37 119.31 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 15.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -107.64 145.19 33.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.893 -0.594 . . . . 15.0 110.173 179.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -55.06 135.03 49.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 15.0 111.084 -178.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.7 -24.16 27.78 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 116.053 -0.521 . . . . 15.0 112.494 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -107.45 145.61 32.79 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 117.71 0.755 . . . . 15.0 110.404 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.3 p -114.19 160.63 18.77 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.271 0.558 . . . . 15.0 110.872 -178.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.38 -42.14 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 15.0 110.027 -179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.09 82.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 15.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -60.67 -44.91 95.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 15.0 110.342 -179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD21 ' CE2' ' A' ' 65' ' ' TYR . 32.0 mt -58.59 -43.8 89.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.065 0.459 . . . . 15.0 110.417 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.8 t -59.78 -42.45 93.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.923 -0.581 . . . . 15.0 111.08 -177.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.76 -45.86 90.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.391 . . . . 15.0 111.072 -178.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.5 t -61.68 -43.4 98.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.113 -177.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -78.87 -3.73 46.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.405 0.891 . . . . 15.0 113.405 -178.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.0 t70 58.83 42.18 20.29 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.335 0.588 . . . . 15.0 110.435 -178.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 74.3 mt -115.9 148.8 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.771 -0.649 . . . . 15.0 109.599 179.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -81.65 139.06 35.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.453 . . . . 15.0 110.587 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.7 mt -56.52 -37.81 70.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 15.0 110.841 -179.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.1 t -59.35 -43.2 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 15.0 110.435 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.8 m -61.91 -44.76 96.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.09 0.471 . . . . 15.0 110.752 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.0 -45.51 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 15.0 110.033 -177.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -59.97 -46.56 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 15.0 111.309 179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.9 p -55.13 -38.81 68.68 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.887 -0.325 . . . . 15.0 111.4 -175.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD13 ' HD2' ' A' ' 113' ' ' PRO . 81.3 mt -73.32 -53.2 11.39 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.764 -0.374 . . . . 15.0 111.603 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.57 7.64 28.72 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.18 -26.64 12.01 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 121.991 -0.443 . . . . 15.0 112.127 178.316 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.3 p-80 -75.14 -36.27 61.6 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.869 -0.332 . . . . 15.0 111.295 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 HD12 ' A' ' 111' ' ' ILE . 82.2 mt -69.93 -41.62 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 121.059 -0.257 . . . . 15.0 111.327 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -113.63 147.84 37.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.992 0.425 . . . . 15.0 110.928 -177.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 m -71.02 -41.57 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.892 -0.594 . . . . 15.0 111.82 -175.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.6 p -152.35 170.03 21.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.022 0.439 . . . . 15.0 111.476 -175.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.57 -35.57 76.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 15.0 111.453 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 t -56.42 -44.28 80.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.808 0.337 . . . . 15.0 110.895 -176.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -35.25 77.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.403 -0.362 . . . . 15.0 111.345 -179.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.4 mtp -65.71 -48.29 72.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.798 0.332 . . . . 15.0 110.812 179.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.8 mmm -60.05 -37.66 80.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.485 -0.325 . . . . 15.0 111.175 -178.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -93.03 17.08 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.636 0.606 . . . . 15.0 112.636 -178.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.04 147.86 8.84 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.044 0.45 . . . . 15.0 111.337 -178.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -121.35 169.38 9.19 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.579 -178.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -61.8 146.14 96.75 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.515 1.477 . . . . 15.0 112.396 -178.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.59 -13.43 56.63 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.632 -0.538 . . . . 15.0 113.455 177.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.491 ' HB2' HD12 ' A' ' 67' ' ' LEU . 62.3 mt-30 -86.68 155.91 20.2 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-N 118.065 0.933 . . . . 15.0 110.773 -179.679 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -110.36 148.19 32.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 15.0 111.116 -177.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 67' ' ' LEU . 86.3 mt -126.61 137.61 57.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.463 -0.79 . . . . 15.0 109.429 175.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.419 HD12 HD11 ' A' ' 94' ' ' LEU . 65.7 mt -106.84 132.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.39 . . . . 15.0 109.948 179.085 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.4 mt -119.3 91.82 44.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 15.0 110.025 177.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 90' ' ' LEU . 76.1 Cg_endo -94.22 46.52 0.25 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 121.813 1.675 . . . . 15.0 111.946 175.271 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 28.2 tp -117.16 120.73 39.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.624 -0.716 . . . . 15.0 110.579 -178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -142.35 132.24 24.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.635 177.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -102.41 144.72 30.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 15.0 110.647 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.85 86.13 58.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 15.0 110.309 179.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.59 42.59 1.26 Allowed 'Trans proline' 0 N--CA 1.491 1.361 0 C-N-CA 121.609 1.54 . . . . 15.0 112.492 -179.37 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.61 126.26 49.63 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 15.0 110.152 179.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.62 -36.4 78.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 15.0 111.437 -177.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -88.92 133.08 34.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.81 0.338 . . . . 15.0 110.552 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 98.2 p -121.38 139.87 52.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.278 -0.419 . . . . 15.0 110.802 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.9 72.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.428 177.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.6 tp -100.32 102.41 18.32 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-O 119.033 -0.508 . . . . 15.0 110.457 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -43.22 -25.34 0.66 Allowed 'Trans proline' 0 N--CA 1.497 1.728 0 C-N-CA 121.657 1.571 . . . . 15.0 113.369 177.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 26.9 tp -94.03 125.86 38.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.74 0.305 . . . . 15.0 110.229 178.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.4 mt -59.75 -40.43 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 15.0 110.813 -178.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.06 -65.54 4.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.11 -0.796 . . . . 15.0 111.11 -179.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.1 m -118.73 151.05 38.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 15.0 110.403 -179.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -120.64 84.46 36.94 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 116.203 -0.453 . . . . 15.0 110.504 -179.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.14 123.43 8.3 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.366 1.377 . . . . 15.0 112.058 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.3 mt -58.95 -37.99 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 15.0 111.003 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 34.1 m -66.87 135.34 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 15.0 110.624 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.6 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 15.0 110.652 179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -148.21 152.59 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 15.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.85 -47.65 0.13 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.82 -0.912 . . . . 15.0 110.82 179.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.26 -37.21 3.49 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.296 -0.721 . . . . 15.0 111.296 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.82 132.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.031 -0.359 . . . . 15.0 110.031 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.4 95.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 15.0 110.758 179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.95 60.77 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.542 -0.623 . . . . 15.0 111.542 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.98 -38.22 78.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.692 0.282 . . . . 15.0 111.058 -179.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 33.2 m -54.89 -39.6 68.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.493 -0.321 . . . . 15.0 111.04 -177.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.57 151.33 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 15.0 110.509 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.83 20.81 49.23 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 121.241 -0.504 . . . . 15.0 112.701 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 85.4 p -64.52 -33.69 76.48 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 117.553 0.677 . . . . 15.0 111.61 179.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -75.63 144.2 31.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.194 -0.762 . . . . 15.0 111.194 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 30.9 t -131.36 140.69 49.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.719 0.295 . . . . 15.0 110.35 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.0 143.47 44.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.321 -0.399 . . . . 15.0 110.601 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -89.25 4.36 48.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.122 0.786 . . . . 15.0 113.122 178.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.4 mt -60.56 -37.06 80.05 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 118.187 0.448 . . . . 15.0 111.064 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -114.97 144.81 43.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.793 0.33 . . . . 15.0 110.503 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.21 161.16 35.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 15.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.021 -0.99 . . . . 15.0 110.444 -179.591 . . . . . . . . 0 0 . 1 stop_ save_