data_6dma_residue ############################ # Computer software used # ############################ 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 6dma _Structure_validation_residue.Date_analyzed 2018-12-14 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 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.786 0.327 . . . . 114.16 110.311 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . . . -62.14 -48.26 80.9 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.416 -0.513 . . . . 115.05 110.578 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . -66.37 -44.43 83.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.542 -0.463 . . . . 124.29 111.045 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -57.93 -44.37 86.84 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.213 -0.595 . . . . 109.46 110.768 177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . . . -58.97 -45.71 89.89 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.339 -0.545 . . . . 110.32 110.894 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -59.29 -41.75 89.68 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.631 -0.427 . . . . 108.43 110.997 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -56.08 -45.5 79.35 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.745 -0.382 . . . . 123.91 110.802 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . . . -57.48 -51.65 66.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 115.89 110.295 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -60.39 -46.04 91.41 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.906 -0.496 . . . . 120.48 110.965 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -58.64 -49.26 78.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.599 -0.441 . . . . 120.37 110.954 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -45.84 84.85 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.465 -0.494 . . . . 126.63 111.176 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.2 -47.69 77.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.807 -0.357 . . . . 129.4 110.946 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -53.68 -47.28 70.59 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.54 -0.464 . . . . 124.4 110.977 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HIS . . . . . 0.726 ' NE2' ' OG ' ' B' ' 139' ' ' SER . 4.3 t-160 -55.98 -47.3 77.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.534 -0.466 . . . . 127.8 110.672 -179.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -55.98 -46.0 80.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.054 0.454 . . . . 130.86 110.166 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -55.67 -48.24 75.38 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.448 -0.501 . . . . 127.42 110.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -52.51 -52.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.177 0.513 . . . . 123.71 109.984 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mmm -59.03 -37.15 76.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.123 -0.631 . . . . 125.28 110.973 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.9 ttp85 -58.48 -55.95 28.47 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.349 -0.541 . . . . 123.8 110.425 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.91 -46.41 87.99 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.705 -0.798 . . . . 110.64 110.752 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -55.29 -48.16 76.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.151 -0.62 . . . . 111.26 109.835 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -55.34 -43.03 74.62 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.087 -0.645 . . . . 117.93 110.669 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.33 -43.65 92.72 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.214 -0.594 . . . . 116.63 111.002 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.67 -41.3 88.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.465 -0.494 . . . . 105.56 111.396 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . . . -58.77 -41.02 85.63 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.037 -0.665 . . . . 101.37 110.757 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . . . -60.3 -45.72 92.39 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.472 -0.491 . . . . 131.44 110.497 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.51 -39.71 73.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.072 -0.651 . . . . 126.62 110.861 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . . . -58.65 -40.3 83.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 131.6 110.948 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.55 -42.38 96.43 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.219 -0.592 . . . . 138.34 110.996 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -54.12 -47.32 71.98 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.951 0.405 . . . . 136.88 110.823 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -37.37 72.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.051 -0.66 . . . . 138.68 110.887 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . . . -54.6 -45.51 73.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.298 -0.561 . . . . 152.6 110.855 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.12 -44.21 92.94 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.482 -0.487 . . . . 184.23 111.357 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.156 0 C-N-CA 122.533 0.333 . . . . 176.33 110.832 -178.765 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.528 0.204 . . . . 148.43 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . . . -72.87 -42.89 63.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.439 -0.504 . . . . 151.26 111.074 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . -62.1 -48.73 78.88 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.366 -0.534 . . . . 154.99 110.688 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.59 -57.95 8.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.175 0.512 . . . . 146.43 110.258 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.91 75.13 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.6 -0.44 . . . . 141.72 111.15 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -58.09 -49.99 75.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.343 -0.543 . . . . 141.96 110.548 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -59.62 -42.37 92.52 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.267 -0.573 . . . . 152.44 110.773 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -56.61 -59.17 3.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.247 0.546 . . . . 142.07 109.968 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.74 -45.48 28.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.869 0.366 . . . . 133.67 111.291 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.41 98.91 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.033 -0.667 . . . . 136.77 110.88 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.57 -47.06 85.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.63 -0.428 . . . . 134.4 111.087 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.65 -35.73 77.65 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.98 -0.688 . . . . 131.47 110.8 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -56.68 -55.31 35.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.356 -0.538 . . . . 138.68 110.494 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.2 -43.59 87.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.621 -0.432 . . . . 130.06 110.967 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 tp -59.4 -50.57 73.45 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.549 . . . . 133.22 110.921 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 60' ' ' GLU . . . -45.3 -57.77 3.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.936 0.398 . . . . 126.83 110.414 177.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -51.63 -43.67 62.68 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.592 -0.277 . . . . 126.18 111.43 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . 0.449 HG22 ' SD ' ' B' ' 100' ' ' MET . 96.4 mt -58.69 -48.66 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.123 0.487 . . . . 134.7 110.264 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.8 mt -58.36 -46.84 89.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.999 -0.438 . . . . 118.8 110.475 -178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 32.3 mt-10 -53.25 -52.01 60.38 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.28 -0.568 . . . . 128.8 110.612 -179.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . -57.14 -52.41 65.4 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.707 -0.397 . . . . 119.83 110.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.406 HD22 ' C ' ' A' ' 62' ' ' ASN . 0.3 OUTLIER -57.19 -40.67 77.86 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.519 -0.472 . . . . 122.37 110.916 175.622 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . . . -52.52 -48.12 66.25 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.232 -0.587 . . . . 120.12 110.752 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -58.25 -46.06 86.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.46 -0.496 . . . . 142.91 111.023 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.68 -46.39 86.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.466 -0.493 . . . . 123.67 110.189 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.31 62.97 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.959 -0.463 . . . . 125.06 110.954 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -56.0 -50.56 70.53 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.388 -0.525 . . . . 123.83 110.654 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . . . -53.1 -46.45 68.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.898 0.38 . . . . 125.85 110.803 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -62.92 -49.36 75.1 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.438 -0.905 . . . . 130.33 110.7 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . . . -48.91 -47.82 43.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.563 -0.455 . . . . 123.43 110.601 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -57.19 -48.69 78.13 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.635 -0.426 . . . . 140.61 110.654 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.1 mt -52.8 -51.06 39.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.244 0.545 . . . . 133.12 109.974 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.38 82.63 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.601 -0.439 . . . . 125.57 110.877 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.02 -48.31 82.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.47 -0.492 . . . . 135.07 110.608 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.38 -42.47 98.83 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.192 -0.603 . . . . 132.44 110.983 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -58.35 -29.28 65.85 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.196 -0.601 . . . . 142.51 111.673 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.33 0.586 . . . . 136.71 109.525 176.536 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.642 0.258 . . . . 152.12 111.078 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . . . -58.45 -48.51 80.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.369 -0.532 . . . . 151.4 110.89 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . . . -56.39 -26.83 54.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.525 -0.47 . . . . 155.72 111.388 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . . . -60.0 -41.76 92.8 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.512 -0.475 . . . . 150.99 111.096 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . . . -63.21 -46.79 85.36 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.486 -0.486 . . . . 125.33 111.124 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.59 84.25 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.323 -0.551 . . . . 155.83 110.904 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . . . -60.68 -45.11 95.4 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.344 -0.542 . . . . 154.63 111.092 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.82 -52.68 64.49 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.717 -0.393 . . . . 150.16 110.966 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 20.9 t -56.83 -46.41 81.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.633 -0.427 . . . . 144.78 111.106 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -58.57 -42.97 89.17 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.676 -0.41 . . . . 157.84 111.405 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.77 -47.98 83.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 139.7 110.753 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.52 -45.14 85.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.638 -0.425 . . . . 138.34 111.495 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLN . . . . . 0.882 ' OE1' ' OG ' ' B' ' 146' ' ' SER . 10.9 mt-30 -61.92 -38.14 87.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.091 -0.644 . . . . 134.6 111.105 -178.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . -56.8 -49.81 74.24 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.092 -0.643 . . . . 132.07 110.481 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -60.05 -51.04 71.32 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.221 -0.592 . . . . 132.78 110.812 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . 0.635 ' OG ' ' NE2' ' B' ' 143' ' ' HIS . 19.9 t -56.89 -39.45 74.42 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.412 -0.515 . . . . 130.84 111.111 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.93 -46.36 78.51 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.438 -0.505 . . . . 127.32 110.845 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.52 -43.17 71.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.494 -0.482 . . . . 129.55 111.054 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -64.91 -46.44 81.68 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.548 -0.461 . . . . 123.83 111.189 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 5.8 mt -63.62 -36.45 83.87 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.905 -0.718 . . . . 123.29 111.009 -175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.33 -50.24 73.75 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.288 -0.565 . . . . 136.19 110.51 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.02 -43.31 91.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.588 -0.445 . . . . 128.63 110.967 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 58' ' ' ILE . 5.4 mtm -62.56 -53.2 58.16 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.337 -0.545 . . . . 128.35 110.825 178.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.09 65.88 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.828 0.347 . . . . 138.59 111.137 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . . . -62.71 -39.8 95.17 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.066 -0.654 . . . . 139.39 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.13 -50.8 78.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.231 -0.587 . . . . 136.05 109.944 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 89.7 mmm -54.79 -46.93 74.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.524 -0.47 . . . . 210.79 110.705 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -53.51 -49.1 68.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 137.97 110.213 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . . . -53.93 -41.7 68.01 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.635 -0.426 . . . . 131.76 111.06 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.52 -48.07 89.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.439 -0.504 . . . . 136.12 110.351 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.55 -45.96 70.04 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.989 -0.444 . . . . 135.03 110.809 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.41 -47.98 81.73 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.619 -0.432 . . . . 145.17 110.821 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . . . -61.98 -38.94 90.46 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.576 -0.45 . . . . 145.59 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.8 -48.84 80.06 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.346 -0.542 . . . . 121.47 110.806 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.97 -40.89 86.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.412 -0.515 . . . . 150.01 110.996 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.48 -16.83 40.58 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.581 -0.448 . . . . 147.24 111.906 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.7 75.33 4.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 122.317 1.056 . . . . 138.56 108.687 -178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . . . -69.51 -19.44 63.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.327 -0.851 . . . . 141.43 112.012 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.49 -30.6 75.22 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.516 -0.849 . . . . 128.49 113.71 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 168.06 20.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.868 0.842 . . . . 138.74 110.956 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.6 130.51 46.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.379 -0.828 . . . . 124.89 110.071 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . . . -61.7 -42.49 99.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.377 -0.529 . . . . 127.47 111.35 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . . . -60.18 -49.91 75.74 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.515 -0.474 . . . . 128.26 110.886 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 6.8 t -61.06 -42.86 94.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.498 -0.481 . . . . 122.8 110.467 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.59 -43.18 75.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.204 -0.598 . . . . 123.78 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.71 -44.71 96.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.405 -0.518 . . . . 135.43 111.242 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . . . -52.43 -49.96 63.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.84 -0.344 . . . . 127.67 110.928 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 91.2 mt -57.84 -35.3 70.73 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.431 -0.508 . . . . 132.27 111.053 173.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . . . -57.43 -53.54 56.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.269 -0.572 . . . . 124.24 110.614 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . . . -59.09 -43.81 91.86 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.513 -0.475 . . . . 132.86 111.11 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 27.6 mt -59.79 -49.63 83.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.001 0.429 . . . . 135.7 110.246 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.177 -0.609 . . . . 124.25 110.542 -173.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . . . -64.73 -29.51 70.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.828 -0.749 . . . . 138.2 111.173 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -60.84 -49.73 76.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.288 -0.565 . . . . 121.71 110.257 169.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.28 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.108 0.48 . . . . 121.45 110.138 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -50.08 -45.89 52.92 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.118 -0.364 . . . . 134.81 111.209 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.97 -48.04 73.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.912 -0.315 . . . . 133.32 110.94 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.77 -36.43 78.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.312 -0.555 . . . . 114.43 111.082 -178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 136' ' ' LEU . 95.2 mt -68.62 -39.28 80.88 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.006 -0.677 . . . . 129.45 110.839 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.13 -50.36 71.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.203 -0.599 . . . . 123.38 110.634 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.78 -42.38 93.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.486 -0.485 . . . . 122.37 110.869 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' SER . . . . . 0.726 ' OG ' ' NE2' ' A' ' 16' ' ' HIS . 33.3 t -58.61 -43.78 89.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.71 . . . . 122.79 110.804 176.813 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.75 -38.67 70.13 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.164 -0.614 . . . . 118.55 110.624 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.342 -0.543 . . . . 117.73 110.792 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 15.9 mt -55.87 -55.23 19.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.188 -0.605 . . . . 122.59 109.97 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' HIS . . . . . 0.635 ' NE2' ' OG ' ' B' ' 93' ' ' SER . 16.1 m-70 -56.12 -51.38 68.14 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 122.01 -0.432 . . . . 135.0 111.006 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . . . -48.65 -50.29 33.68 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.589 -0.444 . . . . 111.99 110.465 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.89 -53.11 61.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.455 -0.498 . . . . 125.18 110.833 176.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' SER . . . . . 0.882 ' OG ' ' OE1' ' B' ' 90' ' ' GLN . 29.9 t -55.66 -38.81 70.09 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.555 -0.458 . . . . 130.61 111.35 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.7 -39.21 93.29 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.154 -0.618 . . . . 119.44 110.994 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -58.5 -51.78 68.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.212 -0.595 . . . . 117.68 110.695 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.06 -48.46 81.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.113 0.483 . . . . 117.11 110.36 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.17 90.09 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.478 -0.489 . . . . 130.9 111.318 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 122.125 -0.359 . . . . 52.48 110.935 -179.635 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.792 0.33 . . . . 161.14 110.406 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . . . -55.34 -43.79 75.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.45 -0.5 . . . . 152.9 110.922 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . . . -65.8 -38.24 88.43 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.303 -0.559 . . . . 145.65 110.794 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . . . -56.22 -43.39 78.53 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.259 -0.576 . . . . 148.37 110.504 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . . . -62.1 -40.81 97.11 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.421 -0.512 . . . . 141.48 110.681 171.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . . . -54.12 -44.22 71.14 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.751 -0.38 . . . . 138.3 110.909 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -57.33 -40.89 78.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.168 -0.613 . . . . 134.09 110.747 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . . . -60.95 -45.03 99.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.624 -0.43 . . . . 133.32 110.442 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -58.64 -40.91 84.75 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.211 -0.596 . . . . 122.98 111.054 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.02 -43.94 77.63 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.166 -0.614 . . . . 127.74 111.576 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.06 89.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.419 -0.512 . . . . 124.34 110.872 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . . . -61.66 -50.72 71.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.462 -0.495 . . . . 128.29 110.614 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -51.91 -50.16 61.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.919 0.39 . . . . 124.59 110.699 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -52.75 53.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.67 0.271 . . . . 137.33 111.364 178.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.38 -42.37 96.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.549 -0.461 . . . . 128.6 110.382 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -56.06 -44.72 79.15 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.312 -0.555 . . . . 129.19 110.927 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 81.6 mt -54.71 -55.08 17.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.992 0.425 . . . . 127.2 110.132 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 96.9 mmm -54.13 -27.94 36.55 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 122.107 -0.371 . . . . 131.34 111.411 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . . . -66.55 -50.74 62.14 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.425 -0.51 . . . . 132.18 110.719 173.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' C' ' 26' ' ' LEU . 24.4 tt0 -56.05 -54.21 47.75 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.438 -0.505 . . . . 127.96 110.74 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . . . -55.92 -45.78 80.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.015 0.435 . . . . 120.64 110.508 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . . . -54.96 -50.43 68.95 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.942 -0.474 . . . . 122.97 110.917 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . . . -56.05 -36.62 68.24 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.287 -0.565 . . . . 132.46 110.968 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' C' ' 22' ' ' GLU . 4.5 mt -70.4 -30.21 67.04 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.188 -0.605 . . . . 130.12 111.537 -176.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.64 -47.33 85.9 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.911 -0.716 . . . . 125.7 110.699 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.16 -44.1 74.87 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.556 -0.457 . . . . 161.7 110.942 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.85 -44.67 82.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.219 -0.592 . . . . 138.15 110.694 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' MET . . . . . . . . . . . . . . . -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.649 -0.42 . . . . 141.45 110.744 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . . . -55.77 -43.79 77.07 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.449 -0.5 . . . . 149.76 111.064 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . . . -58.82 -47.55 84.41 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.547 -0.461 . . . . 142.19 110.998 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.44 -32.18 73.39 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.991 -0.683 . . . . 146.61 111.469 -175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.28 -47.14 80.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.336 -0.546 . . . . 148.89 110.886 175.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -57.84 -37.69 74.31 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.1 -0.64 . . . . 159.36 110.569 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . . . -69.99 -43.97 70.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.616 -0.434 . . . . 161.22 111.421 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.6 144.81 32.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.286 0.565 . . . . 187.13 111.569 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -138.17 42.13 2.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.386 -0.825 . . . . 196.8 109.781 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.56 12.2 39.19 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.341 0.896 . . . . 189.41 115.341 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.32 155.66 46.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.693 1.246 . . . . 181.78 109.13 -178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.66 156.07 24.52 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.188 0.994 . . . . 172.97 110.819 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -54.14 -38.82 65.9 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.126 -0.943 . . . . 164.14 111.233 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . . . -56.73 -53.54 56.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.454 -0.498 . . . . 166.38 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -58.3 -66.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.778 -0.452 . . . . 164.94 109.778 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.81 65.1 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 153.32 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.32 -43.74 83.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.058 -0.657 . . . . 153.99 110.767 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 99.0 m -58.23 -45.4 87.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.215 -0.594 . . . . 148.56 110.812 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -59.42 -52.45 60.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.052 -0.659 . . . . 149.13 110.018 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.95 -41.03 23.88 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.643 -0.423 . . . . 146.39 110.801 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.62 -52.37 64.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.683 -0.407 . . . . 143.23 110.652 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.01 -46.38 85.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.721 0.296 . . . . 139.61 111.209 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.35 -46.34 80.58 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.465 -0.494 . . . . 144.99 111.083 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -55.19 -50.63 68.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.42 -0.512 . . . . 133.4 110.49 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . . . -59.63 -47.52 85.28 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.473 -0.491 . . . . 126.92 110.78 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . . . -58.33 -51.98 67.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.412 -0.515 . . . . 100.69 110.719 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.89 -47.59 64.48 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.825 -0.35 . . . . 124.3 110.835 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . . . -56.02 -46.12 78.92 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.405 -0.518 . . . . 121.46 110.581 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.81 -41.15 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.421 -0.512 . . . . 121.8 110.46 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.2 mt -54.25 -56.2 10.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.597 0.713 . . . . 122.18 109.982 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.9 -42.56 65.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.279 -0.419 . . . . 127.76 110.96 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . . . -54.9 -61.33 2.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.391 -0.524 . . . . 121.18 110.483 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.92 -43.0 85.96 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.209 -0.596 . . . . 126.08 111.143 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . . . -53.07 -49.94 65.36 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.462 -0.495 . . . . 121.09 110.498 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.84 -40.91 85.62 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.372 -0.531 . . . . 127.54 110.84 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.61 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.375 -0.53 . . . . 131.45 110.076 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.19 82.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.504 -0.478 . . . . 125.94 110.838 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . . . -57.06 -51.14 70.48 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.458 -0.497 . . . . 132.03 110.509 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' GLU . . . . . . . . . . . . . . . -55.31 -44.11 75.49 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.588 -0.445 . . . . 125.49 110.976 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.28 -48.63 80.92 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.101 -0.639 . . . . 138.98 110.786 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . . . -45.37 -50.12 12.5 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.009 0.433 . . . . 133.17 110.483 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -62.47 -57.64 10.48 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.268 -0.573 . . . . 167.99 110.707 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . . . -53.45 -48.17 57.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.168 0.508 . . . . 137.24 110.352 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.31 91.07 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.278 -0.569 . . . . 147.63 110.78 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -57.26 -42.55 81.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.581 -0.448 . . . . 146.15 110.958 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.293 0.568 . . . . 157.71 109.65 178.059 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 144.09 110.201 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . . . -56.22 -46.48 79.49 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.948 -0.569 . . . . 143.69 110.997 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . . . -62.67 -37.58 86.97 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.248 -0.581 . . . . 141.86 110.933 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 84' ' ' GLU . . . . . . . . . . . . . . . -58.05 -50.83 72.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.436 -0.506 . . . . 146.37 110.701 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' ARG . . . . . . . . . . . . . . . -60.2 -42.8 95.88 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.313 -0.555 . . . . 143.42 110.872 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -56.95 -47.22 81.22 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.616 -0.434 . . . . 142.4 110.724 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 87' ' ' ARG . . . . . . . . . . . . . . . -57.01 -47.0 81.91 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.595 -0.442 . . . . 137.7 110.791 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 88' ' ' ARG . . . . . . . . . . . . . . . -57.15 -47.62 80.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.554 -0.458 . . . . 138.99 110.739 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . . . . -58.76 -44.33 90.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.552 -0.459 . . . . 139.65 111.309 177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 90' ' ' GLN . . . . . . . . . . . . . . . -62.21 -52.21 64.7 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.691 -0.404 . . . . 111.01 111.061 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 91' ' ' GLU . . . . . . . . . . . . . . . -57.9 -48.07 80.95 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.31 -0.556 . . . . 123.87 110.725 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 92' ' ' GLU . . . . . . . . . . . . . . . -62.78 -41.45 99.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.352 -0.539 . . . . 123.31 111.037 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t -62.43 -45.25 93.96 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.148 -0.621 . . . . 116.35 110.944 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.98 -44.8 78.91 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.398 -0.521 . . . . 122.45 111.093 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -57.22 -44.9 84.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.411 -0.515 . . . . 128.15 110.849 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . . . -55.16 -49.91 70.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.688 0.28 . . . . 124.54 110.877 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.51 -43.03 93.51 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.086 -0.646 . . . . 122.15 111.186 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 98' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -55.11 -42.54 73.06 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.3 -0.56 . . . . 144.74 110.945 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.99 -46.98 87.68 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.618 -0.433 . . . . 132.7 110.79 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 100' ' ' MET . . . . . . . . . . . . . 6.8 mtm -61.66 -46.8 88.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.587 -0.445 . . . . 135.89 110.887 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.18 70.71 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.595 -0.442 . . . . 131.65 111.135 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' GLU . . . . . . . . . . . . . . . -61.16 -43.28 99.13 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.246 -0.582 . . . . 130.81 110.789 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.81 -49.58 80.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.237 -0.585 . . . . 133.67 109.999 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' MET . . . . . . . . . . . . . 80.1 mmm -56.23 -43.56 78.72 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.997 -0.439 . . . . 122.16 111.224 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' ARG . . . . . . . . . . . . . . . -60.66 -44.6 96.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.375 -0.53 . . . . 125.4 110.602 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' ARG . . . . . . . . . . . . . . . -61.4 -41.91 97.89 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.593 -0.443 . . . . 121.03 110.854 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.78 -46.1 97.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.438 -0.505 . . . . 122.15 110.075 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.94 -45.38 71.25 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.994 -0.441 . . . . 125.6 110.777 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' LYS . . . . . . . . . . . . . . . -58.5 -47.88 82.64 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.431 -0.508 . . . . 135.09 110.56 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . . . -63.46 -40.9 98.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.296 -0.562 . . . . 120.77 111.122 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.71 -46.8 86.49 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.447 -0.501 . . . . 142.35 110.862 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.98 -42.29 89.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.43 -0.508 . . . . 148.31 110.963 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 113' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 122.079 -0.388 . . . . 146.8 110.136 178.69 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.653 0.263 . . . . 145.94 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . . . -67.65 -47.14 70.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.322 -0.551 . . . . 148.88 110.797 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 121' ' ' VAL . . . . . . . . . . . . . . . -61.24 -42.18 92.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.548 -0.461 . . . . 136.48 110.32 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.17 85.73 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.858 -0.526 . . . . 140.75 110.776 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 123' ' ' ASP . . . . . . . . . . . . . . . -58.43 -43.3 88.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.43 -0.508 . . . . 141.16 110.974 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.18 -49.49 77.66 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.465 -0.494 . . . . 144.05 110.833 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . . . -56.89 -48.61 77.78 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.584 -0.446 . . . . 115.63 110.934 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -54.21 -46.75 72.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.231 -0.293 . . . . 140.69 111.04 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 127' ' ' LYS . . . . . . . . . . . . . . . -60.51 -46.55 89.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.401 -0.52 . . . . 136.5 110.679 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' ILE . . . . . . . . . . . . . . . -57.07 -45.21 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.152 0.501 . . . . 135.33 110.229 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.48 -49.84 82.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.446 -0.502 . . . . 122.88 110.227 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.5 -36.99 77.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.077 -0.649 . . . . 132.25 111.129 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -57.61 -46.23 84.35 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.386 -0.526 . . . . 125.9 110.398 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 20.6 mt -60.83 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.106 0.479 . . . . 120.88 110.328 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . . . -58.56 -41.51 85.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.221 -0.591 . . . . 103.5 111.147 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.83 -43.25 94.65 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.004 -0.678 . . . . 121.52 110.72 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . . . -60.45 -42.83 96.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.331 -0.548 . . . . 103.06 111.149 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 136' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.23 -40.38 94.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.35 -0.54 . . . . 117.42 111.263 -178.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 137' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.34 -45.79 76.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.127 -0.629 . . . . 114.88 110.618 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . . . -57.9 -48.44 79.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.559 -0.456 . . . . 122.11 110.759 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 21.7 t -58.55 -44.92 89.83 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.403 -0.519 . . . . 121.28 110.971 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.45 -43.27 75.27 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.478 -0.489 . . . . 116.98 111.034 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.33 -38.49 91.34 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.526 -0.47 . . . . 124.92 111.065 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 142' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.46 -51.29 43.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.367 0.603 . . . . 128.09 109.982 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -60.78 -37.53 82.21 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.094 -0.379 . . . . 133.4 111.104 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 144' ' ' GLU . . . . . . . . . . . . . . . -57.7 -49.38 76.73 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.004 -0.678 . . . . 130.38 110.34 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . . . -59.87 -48.8 80.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.769 -0.373 . . . . 134.91 110.831 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 146' ' ' SER . . . . . . . . . . . . . . . -59.12 -45.45 90.89 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.474 -0.49 . . . . 133.65 111.101 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.01 -41.91 79.37 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.161 -0.616 . . . . 144.96 110.761 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . . . -53.97 -51.37 64.11 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.583 -0.447 . . . . 143.4 110.932 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 149' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.93 -55.85 15.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.195 0.521 . . . . 145.08 110.198 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.75 73.65 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.122 -0.361 . . . . 142.75 111.336 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 151' ' ' TYR . . . . . . . . . . . . . . . -63.97 -45.49 88.88 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.127 -0.629 . . . . 141.8 110.71 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 152' ' ' LYS . . . . . . . . . . . . . . . -66.66 -36.62 82.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 144.37 111.447 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 O-C-N 122.116 -0.365 . . . . 147.09 111.403 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.776 0.322 . . . . 153.28 110.275 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' E' ' 8' ' ' GLU . . . -64.74 -40.53 95.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.332 -0.547 . . . . 158.62 111.008 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . . . -60.98 -49.42 77.51 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.579 -0.448 . . . . 151.24 110.729 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' LEU . . . . . 0.428 ' O ' HG13 ' E' ' 10' ' ' ILE . . . -49.06 -62.25 1.63 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.78 -0.368 . . . . 153.5 110.059 168.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' ARG . . . . . . . . . . . . . . . -46.23 -44.41 16.24 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.632 -0.258 . . . . 152.47 111.241 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' E' ' 4' ' ' GLU . . . -56.83 -45.22 82.48 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.183 -0.607 . . . . 144.01 110.894 172.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' ASN . . . . . . . . . . . . . . . -60.99 -44.73 96.97 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.607 -0.437 . . . . 146.5 111.222 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' E' ' 6' ' ' LEU . 33.3 mt -57.77 -52.42 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.091 -0.644 . . . . 150.03 110.13 -179.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . . . -54.76 -46.69 74.38 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.949 -0.47 . . . . 147.63 111.024 -179.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.99 -45.37 95.07 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.208 -0.597 . . . . 148.39 111.265 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.597 -0.441 . . . . 164.64 111.037 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.22 -48.31 76.72 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.545 -0.462 . . . . 165.37 110.83 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -57.53 -48.86 78.16 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.569 -0.452 . . . . 158.91 110.942 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' HIS . . . . . . . . . . . . . . . -56.43 -47.6 78.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.759 -0.376 . . . . 175.81 111.173 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.27 -43.8 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.036 -0.666 . . . . 171.4 110.092 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . . . -59.6 -50.0 75.56 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 122.053 -0.404 . . . . 164.28 110.992 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.38 -49.19 78.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.077 -0.649 . . . . 158.43 110.04 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . . . -51.78 -47.06 64.35 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.055 -0.403 . . . . 157.97 110.973 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' ARG . . . . . . . . . . . . . . . -59.59 -43.32 93.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.032 -0.667 . . . . 152.67 110.797 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . . . -61.06 -46.57 90.11 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.676 -0.41 . . . . 148.25 110.811 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . . . -59.4 -49.61 82.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.069 0.462 . . . . 145.32 110.344 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . . . -58.29 -36.2 72.96 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.139 -0.625 . . . . 117.21 110.897 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.39 -48.28 82.25 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.564 -0.454 . . . . 138.84 110.727 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.11 -49.34 76.32 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.979 -0.688 . . . . 141.83 110.648 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . . . -53.14 -47.81 68.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.48 -0.488 . . . . 109.85 110.81 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . . . -52.3 -45.15 65.41 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.427 -0.509 . . . . 132.06 110.773 171.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . . . -61.36 -43.22 99.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.564 -0.455 . . . . 134.41 110.882 174.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.14 -44.33 97.49 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.264 -0.574 . . . . 146.12 110.993 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' GLU . . . . . . . . . . . . . . . -57.86 -46.64 84.54 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.493 -0.483 . . . . 136.11 110.844 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' GLU . . . . . . . . . . . . . . . -60.73 -46.71 89.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.523 -0.471 . . . . 145.14 110.883 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.55 -45.15 94.95 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.47 -0.492 . . . . 146.38 111.312 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.377 -0.529 . . . . 144.98 110.955 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . . . -61.69 -45.43 94.03 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.376 -0.53 . . . . 145.76 111.22 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' LYS . . . . . . . . . . . . . . . -58.59 -47.88 82.82 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.544 -0.462 . . . . 141.73 110.713 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 152.39 109.992 177.127 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.893 0.378 . . . . 165.84 110.39 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' ASP . . . . . . . . . . . . . . . -58.91 -51.47 69.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.327 -0.549 . . . . 139.5 110.678 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.79 -53.53 47.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.087 0.47 . . . . 155.17 110.246 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.96 48.65 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.018 -0.426 . . . . 140.03 111.042 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' LYS . . . . . . . . . . . . . . . -59.66 -44.58 93.52 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.267 -0.573 . . . . 127.07 110.871 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 99.1 m -59.59 -49.68 76.8 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.614 -0.434 . . . . 134.91 111.013 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 27.2 mt -55.45 -45.97 78.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 131.19 110.078 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -58.53 -38.23 77.3 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.457 -0.497 . . . . 131.51 110.708 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' GLU . . . . . . . . . . . . . . . -61.32 -49.06 78.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.484 -0.486 . . . . 135.52 110.648 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.08 -45.34 87.31 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.379 -0.529 . . . . 108.52 111.062 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . . . -57.51 -49.0 77.73 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.511 -0.475 . . . . 131.21 110.918 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -57.81 -42.11 83.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.346 -0.542 . . . . 128.22 110.865 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.89 -51.48 69.83 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.456 -0.498 . . . . 129.37 110.603 174.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . . . -53.0 -53.01 56.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 108.45 111.04 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.97 -45.41 64.42 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.565 -0.454 . . . . 126.73 111.142 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . . . -59.54 -51.03 71.6 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.679 -0.408 . . . . 121.37 110.696 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.59 -51.85 38.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.235 0.541 . . . . 135.82 109.644 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 59' ' ' ILE . . . . . . . . . . . . . 60.2 mt -51.47 -42.85 29.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.0 0.428 . . . . 131.66 110.551 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 60' ' ' GLU . . . . . . . . . . . . . . . -62.36 -47.49 83.94 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.398 -0.521 . . . . 129.49 110.738 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 61' ' ' ARG . . . . . . . . . . . . . . . -59.4 -42.54 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.519 -0.473 . . . . 133.94 111.048 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 62' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.99 -44.35 92.93 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.17 -0.612 . . . . 133.74 111.125 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 63' ' ' GLN . . . . . . . . . . . . . . . -54.58 -49.84 69.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.579 -0.448 . . . . 140.17 110.923 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 64' ' ' ARG . . . . . . . . . . . . . . . -55.17 -47.31 75.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.38 -0.528 . . . . 132.15 110.484 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' ILE . . . . . . . . . . . . . . . -54.65 -51.05 54.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.067 0.46 . . . . 124.63 110.227 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.24 86.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.436 -0.505 . . . . 132.14 110.727 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 67' ' ' LYS . . . . . . . . . . . . . . . -59.29 -46.15 89.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.295 -0.562 . . . . 134.79 111.015 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 68' ' ' GLU . . . . . . . . . . . . . . . -58.51 -46.13 87.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.534 -0.466 . . . . 135.48 110.796 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . . . -49.98 -44.75 51.08 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.557 -0.457 . . . . 131.1 111.108 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 70' ' ' GLU . . . . . . . . . . . . . . . -59.29 -40.04 84.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.55 -0.46 . . . . 143.27 111.115 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.12 -44.15 92.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.57 . . . . 144.9 110.798 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . . . -60.32 -45.44 96.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.543 . . . . 143.8 110.266 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.94 88.33 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 122.018 -0.426 . . . . 148.6 110.854 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 74' ' ' ARG . . . . . . . . . . . . . . . -56.87 -48.64 77.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.625 -0.43 . . . . 154.02 110.781 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 75' ' ' GLU . . . . . . . . . . . . . . . -58.22 -45.01 88.45 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.412 -0.515 . . . . 145.42 111.139 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 76' ' ' ARG . . . . . . . . . . . . . . . -61.71 -46.57 89.1 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 149.54 110.819 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.091 0.472 . . . . 147.9 110.836 179.742 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 82' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.687 0.279 . . . . 139.65 111.132 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.9 -41.56 87.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.261 -0.576 . . . . 141.49 110.961 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 84' ' ' GLU . . . . . . . . . . . . . . . -61.42 -39.7 91.73 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.415 -0.514 . . . . 143.74 110.913 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 85' ' ' ARG . . . . . . . . . . . . . . . -59.59 -49.35 78.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.542 -0.463 . . . . 142.52 110.68 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . . . -56.18 -51.2 68.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.522 -0.471 . . . . 141.93 110.742 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 87' ' ' ARG . . . . . . . . . . . . . . . -62.86 -39.23 93.76 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.47 -0.492 . . . . 142.42 111.14 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 88' ' ' ARG . . . . . . . . . . . . . . . -56.27 -50.05 72.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.491 -0.484 . . . . 134.32 110.822 178.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.08 -44.64 91.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.375 -0.53 . . . . 134.22 111.137 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 90' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.05 -45.69 79.17 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.636 -0.426 . . . . 139.12 110.929 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 91' ' ' GLU . . . . . . . . . . . . . . . -53.94 -40.64 66.95 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.803 -0.359 . . . . 132.81 111.162 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 92' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.99 -41.64 99.62 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.639 -0.824 . . . . 141.67 110.769 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 93' ' ' SER . . . . . . . . . . . . . 39.3 t -59.1 -44.2 91.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.637 -0.425 . . . . 138.45 111.19 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 94' ' ' LYS . . . . . . . . . . . . . . . -62.0 -45.98 91.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.661 -0.415 . . . . 121.37 110.841 176.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.27 -45.16 72.39 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.53 -0.468 . . . . 124.78 110.814 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 96' ' ' LEU . . . . . . . . . . . . . . . -58.51 -47.06 85.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.67 -0.412 . . . . 131.39 110.718 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . . . -57.82 -45.76 85.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.543 -0.463 . . . . 113.12 111.146 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 98' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -56.25 -44.28 79.5 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.163 -0.615 . . . . 130.49 110.89 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.23 -45.85 90.05 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.515 -0.474 . . . . 131.45 110.675 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 100' ' ' MET . . . . . . . . . . . . . 55.0 mtp -56.64 -56.62 19.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.957 0.408 . . . . 133.24 110.907 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.1 86.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.555 -0.458 . . . . 135.45 111.236 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.17 -44.74 92.15 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.2 -0.6 . . . . 119.16 110.87 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.12 -50.93 74.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.078 0.465 . . . . 131.63 110.004 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' MET . . . . . . . . . . . . . 48.4 mmm -53.63 -47.47 70.26 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.1 -0.375 . . . . 126.69 111.022 -177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' ARG . . . . . . . . . . . . . . . -55.16 -48.99 72.96 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.265 -0.574 . . . . 125.63 110.56 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' ARG . . . . . . . . . . . . . . . -57.24 -49.89 74.6 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.775 -0.37 . . . . 125.71 110.784 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' ILE . . . . . . . . . . . . . . . -55.53 -41.35 63.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.477 -0.489 . . . . 127.1 110.308 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' LYS . . . . . . . . . . . . . . . -58.3 -47.53 83.39 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.911 -0.493 . . . . 132.51 110.714 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' LYS . . . . . . . . . . . . . . . -57.6 -54.57 45.42 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.653 -0.419 . . . . 142.29 111.105 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.46 -38.1 79.88 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.558 -0.457 . . . . 142.93 111.183 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.02 -49.81 72.65 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.587 -0.445 . . . . 149.34 110.822 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 112' ' ' LYS . . . . . . . . . . . . . . . -56.29 -52.13 65.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.595 -0.442 . . . . 153.57 110.861 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.96 -42.54 94.33 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.383 -0.527 . . . . 169.73 111.088 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 196.15 110.318 -177.802 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 118' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.687 0.28 . . . . 240.62 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . . . -59.71 -40.69 88.79 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.205 -0.452 . . . . 200.13 111.421 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 120' ' ' LYS . . . . . . . . . . . . . . . -54.65 -53.76 50.59 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.347 -0.541 . . . . 171.87 110.681 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 121' ' ' VAL . . . . . . . . . . . . . . . -58.25 -49.79 80.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.088 0.471 . . . . 160.73 110.403 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 122' ' ' LEU . . . . . . . . . . . . . . . -56.02 -54.41 45.23 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.006 -0.434 . . . . 153.96 111.035 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 123' ' ' ASP . . . . . . . . . . . . . . . -56.26 -42.13 76.9 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.18 -0.608 . . . . 147.97 110.763 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 124' ' ' GLU . . . . . . . . . . . . . . . -56.94 -46.47 82.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.53 -0.468 . . . . 145.55 110.727 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.13 -47.12 87.23 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.292 -0.563 . . . . 135.33 111.135 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.74 -44.25 73.38 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.677 -0.409 . . . . 134.33 111.001 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 127' ' ' LYS . . . . . . . . . . . . . . . -61.4 -42.47 98.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.153 -0.619 . . . . 133.46 110.742 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 128' ' ' ILE . . . . . . . . . . . . . . . -59.78 -53.02 54.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.175 0.512 . . . . 127.89 110.052 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 129' ' ' ILE . . . . . . . . . . . . . . . -55.94 -42.95 73.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 O-C-N 121.92 -0.487 . . . . 123.48 110.308 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.04 -46.65 88.81 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 121.858 -0.526 . . . . 127.18 110.819 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 131' ' ' ARG . . . . . . . . . . . . . . . -59.22 -42.33 90.73 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.348 -0.541 . . . . 135.05 110.778 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 132' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.201 0.524 . . . . 131.4 110.064 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . . . -54.32 -42.65 70.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.034 -0.416 . . . . 133.44 110.994 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 134' ' ' GLU . . . . . . . . . . . . . . . -60.05 -50.48 73.55 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.539 -0.464 . . . . 135.88 110.785 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . . . -57.68 -44.5 85.82 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 135.74 111.074 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 136' ' ' LEU . . . . . . . . . . . . . . . -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.449 -0.501 . . . . 135.08 110.902 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 137' ' ' ASP . . . . . . . . . . . . . . . -57.58 -42.34 82.95 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.431 -0.508 . . . . 135.96 111.075 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.07 -45.66 90.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.288 -0.565 . . . . 139.6 110.94 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 139' ' ' SER . . . . . . . . . . . . . . . -57.69 -46.97 83.6 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.768 -0.373 . . . . 133.23 110.855 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . . . -53.22 -49.7 66.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.804 -0.358 . . . . 132.72 111.08 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 141' ' ' LYS . . . . . . . . . . . . . . . -58.06 -44.79 87.68 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.387 -0.525 . . . . 131.15 111.082 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 142' ' ' ILE . . . . . . . . . . . . . . . -57.13 -42.35 79.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.623 -0.431 . . . . 133.28 110.418 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.17 -36.94 81.17 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.169 -0.612 . . . . 136.5 111.124 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 144' ' ' GLU . . . . . . . . . . . . . . . -62.97 -47.62 82.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.362 -0.535 . . . . 142.4 110.828 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 145' ' ' ARG . . . . . . . . . . . . . . . -55.89 -39.29 71.36 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.487 -0.485 . . . . 144.78 110.982 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 146' ' ' SER . . . . . . . . . . . . . 58.8 m -59.73 -33.4 71.59 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.359 -0.536 . . . . 154.9 111.112 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.64 -45.86 84.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.078 -0.649 . . . . 157.61 110.713 171.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 148' ' ' GLU . . . . . . . . . . . . . . . -58.84 -41.5 87.07 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.565 -0.454 . . . . 160.48 110.846 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.34 -45.74 85.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.176 0.512 . . . . 168.35 110.127 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.26 74.07 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.959 -0.463 . . . . 178.12 110.807 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 151' ' ' TYR . . . . . . . . . . . . . . . -59.31 -46.81 87.55 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.656 -0.418 . . . . 175.48 110.9 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 152' ' ' LYS . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.394 -0.522 . . . . 179.75 111.034 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 54.74 110.592 178.689 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.607 0.241 . . . . 149.44 110.415 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . . . -60.01 -40.52 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.993 -0.683 . . . . 154.89 110.669 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . . . -52.89 -33.39 49.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.701 -0.4 . . . . 161.06 111.087 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . . . -61.06 -47.42 86.45 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.579 -0.449 . . . . 149.71 110.742 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.1 -48.91 79.87 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.573 -0.451 . . . . 144.58 110.848 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 7' ' ' ARG . . . . . . . . . . . . . . . -57.66 -43.74 85.19 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.377 -0.529 . . . . 145.68 111.117 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 8' ' ' GLU . . . . . . . . . . . . . . . -66.24 -36.49 83.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.416 -0.514 . . . . 142.94 111.211 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 9' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -61.38 -50.51 72.6 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.306 -0.558 . . . . 151.19 110.746 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . . . -54.76 -41.11 54.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.13 0.49 . . . . 145.66 110.132 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.02 -44.92 96.7 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.297 -0.561 . . . . 147.5 111.09 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . . . -57.89 -49.84 75.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.79 -0.364 . . . . 139.36 111.031 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.93 93.24 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.455 -0.498 . . . . 141.21 111.044 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 14' ' ' LYS . . . . . . . . . . . . . . . -58.96 -47.08 86.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.598 -0.441 . . . . 140.63 110.687 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 15' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -57.52 -44.93 85.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.308 -0.557 . . . . 143.66 111.103 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 16' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' G' ' 20' ' ' MET . 3.3 t-80 -53.75 -54.69 34.63 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.537 -0.465 . . . . 134.43 110.392 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 17' ' ' ILE . . . . . . . . . . . . . 88.2 mt -48.84 -55.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.436 0.636 . . . . 133.41 110.013 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.23 -48.08 62.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.331 -0.395 . . . . 128.26 111.063 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 19' ' ' ILE . . . . . . . . . . . . . . . -59.45 -49.84 82.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.232 -0.587 . . . . 129.96 109.965 174.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 20' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' G' ' 16' ' ' HIS . 36.2 mmm -59.0 -41.25 87.22 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.388 -0.525 . . . . 135.78 111.082 -178.771 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' ARG . . . . . . . . . . . . . . . -60.49 -46.98 88.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.425 -0.51 . . . . 135.32 110.784 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -56.65 -43.46 80.34 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.078 -0.649 . . . . 140.41 110.854 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -59.84 -43.84 92.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.963 -0.695 . . . . 140.98 110.001 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . . . -50.79 -50.75 55.4 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 122.043 -0.41 . . . . 133.49 110.763 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' GLU . . . . . . . . . . . . . . . -60.19 -45.0 94.63 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.154 -0.619 . . . . 135.57 110.745 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . . . -54.83 -53.02 60.66 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.598 -0.441 . . . . 136.84 110.715 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' LEU . . . . . . . . . . . . . . . -57.57 -42.71 83.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.337 -0.545 . . . . 135.22 110.916 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' GLN . . . . . . . . . . . . . . . -55.43 -49.75 71.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.456 -0.497 . . . . 139.49 110.74 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.83 -42.91 80.46 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.476 -0.49 . . . . 144.43 110.888 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtp -59.12 -49.26 78.55 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.487 -0.485 . . . . 143.14 111.1 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' GLU . . . . . . . . . . . . . . . -54.58 -46.48 73.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.824 -0.35 . . . . 145.09 110.991 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 32' ' ' GLU . . . . . . . . . . . . . . . -59.59 -49.68 76.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.529 -0.468 . . . . 145.13 110.751 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . . . -56.99 -46.44 82.24 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.716 -0.394 . . . . 142.93 110.973 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . . . -56.64 -50.38 72.21 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.626 -0.43 . . . . 147.58 111.152 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . . . -57.31 -42.93 82.76 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.604 -0.438 . . . . 145.46 111.189 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.05 85.91 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 150.41 111.021 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 122.16 -0.337 . . . . 143.03 110.56 179.26 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.698 0.285 . . . . 181.06 110.867 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 43' ' ' ASP . . . . . . . . . . . . . . . -59.97 -43.3 95.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.341 -0.544 . . . . 174.22 111.119 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 44' ' ' VAL . . . . . . . . . . . . . . . -56.9 -48.76 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.154 0.502 . . . . 170.33 110.109 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.6 75.5 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 121.939 -0.475 . . . . 165.24 110.837 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.41 -47.78 80.82 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.871 -0.331 . . . . 161.75 110.942 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . . . -56.93 -47.34 80.86 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.408 -0.517 . . . . 160.52 110.651 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . . . -58.91 -46.91 91.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.146 0.498 . . . . 156.61 110.145 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . . . -57.77 -51.88 67.76 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.669 -0.413 . . . . 152.97 110.948 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 50' ' ' GLU . . . . . . . . . . . . . . . -56.86 -45.78 82.23 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.36 -0.536 . . . . 158.68 111.089 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 51' ' ' LEU . . . . . . . . . . . . . . . -56.95 -45.47 82.8 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.509 -0.477 . . . . 149.25 111.165 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 52' ' ' LEU . . . . . . . . . . . . . . . -60.49 -44.6 95.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.724 -0.391 . . . . 150.86 111.394 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -61.65 -46.89 87.83 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.707 -0.397 . . . . 144.97 110.868 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 54' ' ' ARG . . . . . . . . . . . . . . . -56.42 -48.22 77.42 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.6 -0.44 . . . . 149.34 110.809 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.31 -50.79 72.22 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.607 -0.437 . . . . 149.16 110.812 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 56' ' ' LYS . . . . . . . . . . . . . . . -50.63 -46.36 58.23 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.817 -0.353 . . . . 135.76 110.987 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . . . -60.27 -45.47 93.2 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.401 -0.52 . . . . 141.22 110.719 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 58' ' ' ILE . . . . . . . . . . . . . . . -63.87 -36.66 77.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.969 0.414 . . . . 137.28 110.451 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 59' ' ' ILE . . . . . 0.539 HG12 ' CE ' ' H' ' 100' ' ' MET . 59.8 mt -60.66 -53.86 43.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 120.352 -0.539 . . . . 144.05 109.991 176.63 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.87 -49.17 66.37 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.1 -0.375 . . . . 137.5 111.211 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 61' ' ' ARG . . . . . . . . . . . . . . . -68.75 -31.5 70.6 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.647 -0.821 . . . . 140.84 111.089 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 62' ' ' ASN . . . . . . . . . . . . . . . -60.63 -46.96 88.34 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.219 -0.592 . . . . 132.29 110.5 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 63' ' ' GLN . . . . . . . . . . . . . . . -60.66 -39.9 90.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.431 -0.508 . . . . 136.02 110.744 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.32 -47.56 83.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.518 -0.473 . . . . 141.25 110.646 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 65' ' ' ILE . . . . . . . . . . . . . . . -57.47 -44.25 84.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.546 -0.461 . . . . 138.43 110.312 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.74 76.46 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.907 -0.495 . . . . 140.12 110.759 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 67' ' ' LYS . . . . . . . . . . . . . . . -58.22 -44.87 88.39 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.5 -0.48 . . . . 140.17 111.056 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 68' ' ' GLU . . . . . . . . . . . . . . . -59.93 -41.53 91.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.506 -0.478 . . . . 143.07 110.9 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 69' ' ' HIS . . . . . . . . . . . . . . . -57.57 -42.39 82.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.53 -0.468 . . . . 145.62 110.867 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 70' ' ' GLU . . . . . . . . . . . . . . . -61.72 -48.43 80.78 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.564 -0.455 . . . . 141.59 110.77 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.39 -50.95 71.96 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.703 -0.399 . . . . 147.17 110.814 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 72' ' ' ILE . . . . . . . . . . . . . . . -57.38 -46.85 85.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.174 0.511 . . . . 149.09 110.247 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.27 74.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.953 -0.467 . . . . 153.39 111.162 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.85 -42.98 94.84 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.357 -0.537 . . . . 153.38 111.162 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 75' ' ' GLU . . . . . . . . . . . . . . . -59.19 -52.72 64.47 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.366 -0.534 . . . . 151.44 110.84 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 76' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 122.077 -0.39 . . . . 53.22 110.842 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 81' ' ' LYS . . . . . 0.63 ' HG3' ' N ' ' H' ' 82' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.977 0.418 . . . . 153.13 109.945 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 82' ' ' LEU . . . . . 0.63 ' N ' ' HG3' ' H' ' 81' ' ' LYS . . . -97.47 -19.19 18.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.577 0.751 . . . . 152.47 111.629 -176.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 83' ' ' LEU . . . . . . . . . . . . . . . -37.37 -39.04 0.26 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.791 -1.189 . . . . 153.36 107.791 159.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 84' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' H' ' 87' ' ' ARG . . . -59.69 -58.01 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.387 -0.37 . . . . 151.86 110.8 167.862 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 85' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' H' ' 82' ' ' LEU . . . -42.08 -44.05 3.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.365 0.602 . . . . 153.09 111.493 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . . . -61.74 -39.42 91.5 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.047 -0.661 . . . . 149.45 110.799 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 87' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' H' ' 84' ' ' GLU . . . -61.38 -46.95 88.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.875 -0.33 . . . . 150.64 111.101 -178.325 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.68 -46.76 89.12 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.42 -0.512 . . . . 148.63 110.601 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.39 -48.19 82.57 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.557 -0.457 . . . . 143.74 110.781 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 90' ' ' GLN . . . . . . . . . . . . . . . -57.09 -43.5 82.24 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.468 -0.493 . . . . 148.19 110.995 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 91' ' ' GLU . . . . . . . . . . . . . . . -58.02 -47.74 82.15 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.363 -0.535 . . . . 151.29 110.69 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 92' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.13 -44.66 79.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.426 -0.509 . . . . 147.6 111.105 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 93' ' ' SER . . . . . . . . . . . . . . . -53.79 -45.18 70.64 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.566 -0.454 . . . . 150.35 111.151 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 94' ' ' LYS . . . . . . . . . . . . . . . -56.1 -52.48 64.16 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.673 -0.411 . . . . 142.83 110.842 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 95' ' ' ARG . . . . . . . . . . . . . . . -55.8 -46.44 78.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.466 -0.494 . . . . 143.58 110.785 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 96' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' H' ' 100' ' ' MET . 53.1 mt -57.61 -57.25 13.53 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.939 0.4 . . . . 143.15 110.656 176.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 97' ' ' LEU . . . . . . . . . . . . . . . -49.42 -44.43 45.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.828 -0.349 . . . . 137.2 111.354 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . . . -61.33 -44.17 97.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.265 -0.574 . . . . 138.38 110.884 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 99' ' ' GLU . . . . . . . . . . . . . . . -57.02 -42.7 80.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.338 -0.545 . . . . 139.13 110.962 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 100' ' ' MET . . . . . 0.539 ' CE ' HG12 ' G' ' 59' ' ' ILE . 27.0 mtp -62.74 -47.46 83.48 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 122.199 -0.313 . . . . 146.57 110.87 179.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.94 -47.23 64.84 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.89 -0.324 . . . . 145.34 110.841 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' GLU . . . . . . . . . . . . . . . -57.16 -45.41 83.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.385 -0.526 . . . . 141.19 110.977 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 103' ' ' ILE . . . . . . . . . . . . . . . -60.93 -44.75 98.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.661 -0.416 . . . . 137.8 110.368 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 104' ' ' MET . . . . . . . . . . . . . . . -58.24 -50.41 73.68 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.93 -0.481 . . . . 141.2 110.852 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 105' ' ' ARG . . . . . . . . . . . . . . . -58.8 -48.48 81.14 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.485 . . . . 143.52 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 106' ' ' ARG . . . . . . . . . . . . . . . -52.73 -54.23 36.67 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.815 -0.354 . . . . 144.53 111.111 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 107' ' ' ILE . . . . . . . . . . . . . . . -58.47 -36.56 59.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.637 -0.425 . . . . 140.95 110.594 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 108' ' ' LYS . . . . . . . . . . . . . . . -55.1 -51.67 65.68 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.896 -0.502 . . . . 144.88 110.754 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 109' ' ' LYS . . . . . . . . . . . . . . . -61.49 -40.08 93.25 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.138 -0.625 . . . . 145.16 110.832 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.87 -47.63 84.97 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.709 -0.396 . . . . 144.52 110.961 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.36 -47.68 83.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.618 -0.433 . . . . 149.8 110.934 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.84 -41.53 87.15 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.517 -0.473 . . . . 147.71 111.093 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 113' ' ' LYS . . . . . . . . . . . . . . . -72.31 -42.41 65.49 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.366 -0.533 . . . . 147.36 111.193 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 O-C-N 122.167 -0.333 . . . . 144.14 111.632 -176.848 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 121' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.733 -0.469 . . . . 144.69 109.733 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.86 -41.06 73.78 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.905 -0.589 . . . . 142.66 111.497 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 123' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.11 -43.59 98.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.997 -0.681 . . . . 148.75 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.06 -48.84 80.15 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.282 -0.567 . . . . 143.84 110.836 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 125' ' ' LEU . . . . . . . . . . . . . . . -61.22 -44.55 97.09 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.584 -0.446 . . . . 146.51 111.043 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 126' ' ' ARG . . . . . . . . . . . . . . . -58.24 -44.93 88.53 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 139.14 110.973 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 127' ' ' LYS . . . . . . . . . . . . . . . -52.46 -49.52 64.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.437 . . . . 140.8 110.686 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 128' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' H' ' 131' ' ' ARG . 83.0 mt -49.61 -65.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.979 0.895 . . . . 143.85 110.906 169.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 129' ' ' ILE . . . . . . . . . . . . . . . -39.82 -48.47 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.697 1.199 . . . . 135.33 108.671 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . . . -58.89 -51.13 71.35 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.982 -0.687 . . . . 141.3 110.542 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 131' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' H' ' 128' ' ' ILE . . . -56.29 -47.78 77.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.844 -0.342 . . . . 138.66 110.925 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 132' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.92 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.163 0.506 . . . . 142.25 110.123 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 133' ' ' ARG . . . . . . . . . . . . . . . -51.19 -42.11 60.67 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.027 -0.421 . . . . 139.72 111.292 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.45 -48.17 82.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.171 -0.612 . . . . 145.78 110.715 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 135' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.7 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.753 -0.379 . . . . 141.41 111.345 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 136' ' ' LEU . . . . . . . . . . . . . 38.6 mt -58.27 -44.25 88.32 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.387 -0.525 . . . . 139.42 110.974 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 137' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -57.45 -47.43 81.85 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.629 -0.429 . . . . 143.44 110.572 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 138' ' ' ARG . . . . . . . . . . . . . . . -55.57 -51.24 67.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.515 -0.474 . . . . 136.98 110.665 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 139' ' ' SER . . . . . . . . . . . . . . . -61.38 -38.34 86.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.601 -0.44 . . . . 137.62 111.117 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 140' ' ' ARG . . . . . . . . . . . . . . . -57.04 -49.49 75.65 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.336 -0.546 . . . . 137.34 110.722 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 141' ' ' LYS . . . . . . . . . . . . . . . -60.72 -32.93 72.18 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.718 -0.393 . . . . 141.88 111.595 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 142' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' H' ' 145' ' ' ARG . 96.4 mt -60.51 -58.25 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.257 0.551 . . . . 143.12 109.978 177.579 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 143' ' ' HIS . . . . . . . . . . . . . . . -45.55 -36.19 4.44 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.132 -0.355 . . . . 149.82 110.626 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 144' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.56 -44.95 89.88 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.428 -0.509 . . . . 150.23 110.535 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 145' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' H' ' 142' ' ' ILE . . . -58.5 -45.22 89.2 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 152.74 110.762 179.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 146' ' ' SER . . . . . . . . . . . . . . . -62.49 -42.94 99.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.099 -0.64 . . . . 149.26 110.754 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 147' ' ' GLU . . . . . . . . . . . . . . . -60.53 -38.96 86.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.428 -0.509 . . . . 157.96 111.018 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 148' ' ' GLU . . . . . . . . . . . . . . . -59.59 -39.78 85.26 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.359 -0.537 . . . . 157.08 110.884 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 149' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.206 0 N-CA-C 109.205 -0.665 . . . . 162.22 109.205 177.611 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.786 0.327 . . . . 93.64 110.311 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . . . -62.14 -48.26 80.9 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.416 -0.513 . . . . 98.55 110.578 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . -66.37 -44.43 83.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.542 -0.463 . . . . 103.61 111.045 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -57.93 -44.37 86.84 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.213 -0.595 . . . . 89.16 110.768 177.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . . . -58.97 -45.71 89.89 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.339 -0.545 . . . . 97.51 110.894 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -59.29 -41.75 89.68 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.631 -0.427 . . . . 91.27 110.997 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -56.08 -45.5 79.35 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.745 -0.382 . . . . 123.91 110.802 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . . . -57.48 -51.65 66.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 98.6 110.295 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -60.39 -46.04 91.41 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.906 -0.496 . . . . 100.12 110.965 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -58.64 -49.26 78.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.599 -0.441 . . . . 111.22 110.954 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -45.84 84.85 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.465 -0.494 . . . . 101.97 111.176 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.2 -47.69 77.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.807 -0.357 . . . . 106.52 110.946 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -53.68 -47.28 70.59 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.54 -0.464 . . . . 105.96 110.977 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' NE2' ' OG ' ' B' ' 139' ' ' SER . 4.3 t-160 -55.98 -47.3 77.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.534 -0.466 . . . . 98.19 110.672 -179.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -55.98 -46.0 80.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.054 0.454 . . . . 103.7 110.166 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -55.67 -48.24 75.38 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.448 -0.501 . . . . 104.62 110.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -52.51 -52.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.177 0.513 . . . . 96.02 109.984 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mmm -59.03 -37.15 76.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.123 -0.631 . . . . 125.28 110.973 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.9 ttp85 -58.48 -55.95 28.47 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.349 -0.541 . . . . 107.25 110.425 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.91 -46.41 87.99 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.705 -0.798 . . . . 95.48 110.752 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 59' ' ' ILE . 84.0 mt -55.29 -48.16 76.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.151 -0.62 . . . . 92.11 109.835 179.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -55.34 -43.03 74.62 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.087 -0.645 . . . . 105.11 110.669 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.33 -43.65 92.72 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.214 -0.594 . . . . 101.58 111.002 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.67 -41.3 88.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.465 -0.494 . . . . 105.56 111.396 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . . . -58.77 -41.02 85.63 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.037 -0.665 . . . . 100.58 110.757 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . . . -60.3 -45.72 92.39 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.472 -0.491 . . . . 111.96 110.497 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.51 -39.71 73.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.072 -0.651 . . . . 109.99 110.861 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . . . -58.65 -40.3 83.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 105.47 110.948 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.55 -42.38 96.43 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.219 -0.592 . . . . 138.34 110.996 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -54.12 -47.32 71.98 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.951 0.405 . . . . 126.95 110.823 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HB2' HD21 ' B' ' 125' ' ' LEU . 6.1 mt -71.03 -37.37 72.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.051 -0.66 . . . . 125.29 110.887 -178.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . . . -54.6 -45.51 73.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.298 -0.561 . . . . 134.27 110.855 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.12 -44.21 92.94 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.482 -0.487 . . . . 184.23 111.357 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.156 0 C-N-CA 122.533 0.333 . . . . 151.56 110.832 -178.765 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.528 0.204 . . . . 125.49 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . . . -72.87 -42.89 63.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.439 -0.504 . . . . 134.38 111.074 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . -62.1 -48.73 78.88 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.366 -0.534 . . . . 154.99 110.688 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' B' ' 114' ' ' ALA . 55.5 t -58.59 -57.95 8.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.175 0.512 . . . . 122.44 110.258 -179.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.91 75.13 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.6 -0.44 . . . . 114.79 111.15 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -58.09 -49.99 75.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.343 -0.543 . . . . 123.16 110.548 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -59.62 -42.37 92.52 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.267 -0.573 . . . . 128.99 110.773 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -56.61 -59.17 3.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.247 0.546 . . . . 115.42 109.968 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.74 -45.48 28.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.869 0.366 . . . . 110.65 111.291 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.41 98.91 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.033 -0.667 . . . . 115.18 110.88 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.57 -47.06 85.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.63 -0.428 . . . . 114.13 111.087 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.65 -35.73 77.65 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.98 -0.688 . . . . 110.04 110.8 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -56.68 -55.31 35.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.356 -0.538 . . . . 119.64 110.494 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.2 -43.59 87.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.621 -0.432 . . . . 107.14 110.967 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 tp -59.4 -50.57 73.45 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.549 . . . . 111.34 110.921 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 60' ' ' GLU . . . -45.3 -57.77 3.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.936 0.398 . . . . 101.96 110.414 177.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -51.63 -43.67 62.68 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.592 -0.277 . . . . 112.92 111.43 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG21 ' CG ' ' B' ' 100' ' ' MET . 96.4 mt -58.69 -48.66 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.123 0.487 . . . . 111.88 110.264 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 23' ' ' ILE . 11.8 mt -58.36 -46.84 89.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.999 -0.438 . . . . 96.78 110.475 -178.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 32.3 mt-10 -53.25 -52.01 60.38 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.28 -0.568 . . . . 112.89 110.612 -179.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . -57.14 -52.41 65.4 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.707 -0.397 . . . . 103.15 110.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -57.19 -40.67 77.86 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.519 -0.472 . . . . 122.37 110.916 175.622 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . . . -52.52 -48.12 66.25 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.232 -0.587 . . . . 101.04 110.752 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -58.25 -46.06 86.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.46 -0.496 . . . . 116.01 111.023 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.68 -46.39 86.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.466 -0.493 . . . . 100.27 110.189 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.31 62.97 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.959 -0.463 . . . . 105.64 110.954 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -56.0 -50.56 70.53 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.388 -0.525 . . . . 104.92 110.654 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . . . -53.1 -46.45 68.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.898 0.38 . . . . 97.82 110.803 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -62.92 -49.36 75.1 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.438 -0.905 . . . . 105.73 110.7 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . . . -48.91 -47.82 43.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.563 -0.455 . . . . 103.29 110.601 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -57.19 -48.69 78.13 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.635 -0.426 . . . . 116.65 110.654 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 86' ' ' SER . 12.1 mt -52.8 -51.06 39.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.244 0.545 . . . . 113.0 109.974 177.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.38 82.63 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.601 -0.439 . . . . 103.74 110.877 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.02 -48.31 82.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.47 -0.492 . . . . 112.42 110.608 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.38 -42.47 98.83 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.192 -0.603 . . . . 118.78 110.983 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -58.35 -29.28 65.85 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.196 -0.601 . . . . 142.51 111.673 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.33 0.586 . . . . 118.19 109.525 176.536 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.642 0.258 . . . . 129.75 111.078 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . . . -58.45 -48.51 80.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.369 -0.532 . . . . 131.01 110.89 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . . . -56.39 -26.83 54.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.525 -0.47 . . . . 127.46 111.388 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . . . -60.0 -41.76 92.8 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.512 -0.475 . . . . 123.79 111.096 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . . . -63.21 -46.79 85.36 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.486 -0.486 . . . . 125.01 111.124 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.59 84.25 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.323 -0.551 . . . . 131.15 110.904 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . . . -60.68 -45.11 95.4 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.344 -0.542 . . . . 133.02 111.092 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.82 -52.68 64.49 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.717 -0.393 . . . . 128.37 110.966 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 72' ' ' ILE . 20.9 t -56.83 -46.41 81.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.633 -0.427 . . . . 121.84 111.106 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -58.57 -42.97 89.17 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.676 -0.41 . . . . 124.78 111.405 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.77 -47.98 83.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 117.69 110.753 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.52 -45.14 85.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.638 -0.425 . . . . 114.61 111.495 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLN . . . . . 0.882 ' OE1' ' OG ' ' B' ' 146' ' ' SER . 10.9 mt-30 -61.92 -38.14 87.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.091 -0.644 . . . . 114.68 111.105 -178.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . -56.8 -49.81 74.24 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.092 -0.643 . . . . 114.53 110.481 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -60.05 -51.04 71.32 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.221 -0.592 . . . . 113.16 110.812 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' B' ' 143' ' ' HIS . 19.9 t -56.89 -39.45 74.42 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.412 -0.515 . . . . 105.49 111.111 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.93 -46.36 78.51 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.438 -0.505 . . . . 111.16 110.845 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.52 -43.17 71.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.494 -0.482 . . . . 107.59 111.054 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -64.91 -46.44 81.68 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.548 -0.461 . . . . 100.93 111.189 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . 0.436 HD21 ' OD1' ' A' ' 62' ' ' ASN . 5.8 mt -63.62 -36.45 83.87 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.905 -0.718 . . . . 100.98 111.009 -175.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.33 -50.24 73.75 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.288 -0.565 . . . . 130.23 110.51 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.02 -43.31 91.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.588 -0.445 . . . . 104.65 110.967 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' MET . . . . . 0.47 ' HE3' HD21 ' B' ' 136' ' ' LEU . 5.4 mtm -62.56 -53.2 58.16 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.337 -0.545 . . . . 115.76 110.825 178.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.09 65.88 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.828 0.347 . . . . 113.07 111.137 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . . . -62.71 -39.8 95.17 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.066 -0.654 . . . . 129.88 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.13 -50.8 78.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.231 -0.587 . . . . 111.41 109.944 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 89.7 mmm -54.79 -46.93 74.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.524 -0.47 . . . . 210.79 110.705 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -53.51 -49.1 68.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 114.6 110.213 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . . . -53.93 -41.7 68.01 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.635 -0.426 . . . . 116.56 111.06 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.52 -48.07 89.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.439 -0.504 . . . . 113.11 110.351 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.55 -45.96 70.04 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.989 -0.444 . . . . 120.52 110.809 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.41 -47.98 81.73 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.619 -0.432 . . . . 126.62 110.821 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . . . -61.98 -38.94 90.46 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.576 -0.45 . . . . 127.24 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.8 -48.84 80.06 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.346 -0.542 . . . . 119.33 110.806 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.97 -40.89 86.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.412 -0.515 . . . . 126.83 110.996 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.48 -16.83 40.58 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.581 -0.448 . . . . 123.47 111.906 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 44' ' ' VAL . . . -93.7 75.33 4.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 122.317 1.056 . . . . 120.78 108.687 -178.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . . . -69.51 -19.44 63.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.327 -0.851 . . . . 119.82 112.012 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.49 -30.6 75.22 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.516 -0.849 . . . . 113.91 113.71 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 168.06 20.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.868 0.842 . . . . 119.67 110.956 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.6 130.51 46.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.379 -0.828 . . . . 109.28 110.071 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . . . -61.7 -42.49 99.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.377 -0.529 . . . . 112.43 111.35 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . . . -60.18 -49.91 75.74 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.515 -0.474 . . . . 114.29 110.886 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 6.8 t -61.06 -42.86 94.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.498 -0.481 . . . . 109.96 110.467 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.59 -43.18 75.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.204 -0.598 . . . . 112.72 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.71 -44.71 96.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.405 -0.518 . . . . 115.56 111.242 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . . . -52.43 -49.96 63.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.84 -0.344 . . . . 111.54 110.928 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 33' ' ' LEU . 91.2 mt -57.84 -35.3 70.73 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.431 -0.508 . . . . 105.83 111.053 173.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . . . -57.43 -53.54 56.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.269 -0.572 . . . . 108.01 110.614 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . . . -59.09 -43.81 91.86 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.513 -0.475 . . . . 116.85 111.11 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 27.6 mt -59.79 -49.63 83.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.001 0.429 . . . . 110.04 110.246 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.177 -0.609 . . . . 104.8 110.542 -173.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . . . -64.73 -29.51 70.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.828 -0.749 . . . . 114.77 111.173 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ARG . . . . . 0.494 ' CZ ' HD21 ' B' ' 135' ' ' LEU . 29.2 tpt180 -60.84 -49.73 76.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.288 -0.565 . . . . 121.71 110.257 169.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.28 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.108 0.48 . . . . 101.55 110.138 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -50.08 -45.89 52.92 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.118 -0.364 . . . . 113.75 111.209 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.97 -48.04 73.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.912 -0.315 . . . . 124.45 110.94 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' B' ' 131' ' ' ARG . 32.6 mt -60.77 -36.43 78.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.312 -0.555 . . . . 92.06 111.082 -178.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 136' ' ' LEU . . . . . 0.47 HD21 ' HE3' ' B' ' 100' ' ' MET . 95.2 mt -68.62 -39.28 80.88 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.006 -0.677 . . . . 103.08 110.839 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.13 -50.36 71.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.203 -0.599 . . . . 105.61 110.634 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.78 -42.38 93.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.486 -0.485 . . . . 102.37 110.869 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' SER . . . . . 0.688 ' OG ' ' NE2' ' A' ' 16' ' ' HIS . 33.3 t -58.61 -43.78 89.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.71 . . . . 101.22 110.804 176.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.75 -38.67 70.13 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.164 -0.614 . . . . 100.4 110.624 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.342 -0.543 . . . . 95.55 110.792 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 15.9 mt -55.87 -55.23 19.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.188 -0.605 . . . . 97.55 109.97 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' B' ' 93' ' ' SER . 16.1 m-70 -56.12 -51.38 68.14 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 122.01 -0.432 . . . . 115.2 111.006 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . . . -48.65 -50.29 33.68 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.589 -0.444 . . . . 98.46 110.465 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.89 -53.11 61.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.455 -0.498 . . . . 105.92 110.833 176.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' SER . . . . . 0.882 ' OG ' ' OE1' ' B' ' 90' ' ' GLN . 29.9 t -55.66 -38.81 70.09 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.555 -0.458 . . . . 110.88 111.35 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.7 -39.21 93.29 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.154 -0.618 . . . . 119.44 110.994 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -58.5 -51.78 68.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.212 -0.595 . . . . 107.66 110.695 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.06 -48.46 81.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.113 0.483 . . . . 113.9 110.36 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.17 90.09 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.478 -0.489 . . . . 117.15 111.318 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 122.125 -0.359 . . . . 52.48 110.935 -179.635 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.792 0.33 . . . . 151.97 110.406 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . . . -55.34 -43.79 75.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.45 -0.5 . . . . 124.18 110.922 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . . . -65.8 -38.24 88.43 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.303 -0.559 . . . . 121.02 110.794 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . . . -56.22 -43.39 78.53 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.259 -0.576 . . . . 126.58 110.504 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . . . -62.1 -40.81 97.11 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.421 -0.512 . . . . 121.02 110.681 171.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . . . -54.12 -44.22 71.14 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.751 -0.38 . . . . 114.43 110.909 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -57.33 -40.89 78.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.168 -0.613 . . . . 108.27 110.747 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . . . -60.95 -45.03 99.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.624 -0.43 . . . . 117.17 110.442 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -58.64 -40.91 84.75 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.211 -0.596 . . . . 110.28 111.054 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.02 -43.94 77.63 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.166 -0.614 . . . . 108.7 111.576 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.06 89.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.419 -0.512 . . . . 110.66 110.872 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . . . -61.66 -50.72 71.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.462 -0.495 . . . . 109.3 110.614 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -51.91 -50.16 61.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.919 0.39 . . . . 113.03 110.699 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -52.75 53.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.67 0.271 . . . . 137.33 111.364 178.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.38 -42.37 96.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.549 -0.461 . . . . 107.36 110.382 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -56.06 -44.72 79.15 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.312 -0.555 . . . . 108.19 110.927 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 81.6 mt -54.71 -55.08 17.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.992 0.425 . . . . 101.72 110.132 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 96.9 mmm -54.13 -27.94 36.55 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 122.107 -0.371 . . . . 110.72 111.411 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . . . -66.55 -50.74 62.14 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.425 -0.51 . . . . 115.29 110.719 173.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' C' ' 26' ' ' LEU . 24.4 tt0 -56.05 -54.21 47.75 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.438 -0.505 . . . . 107.19 110.74 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . . . -55.92 -45.78 80.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.015 0.435 . . . . 100.75 110.508 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . . . -54.96 -50.43 68.95 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.942 -0.474 . . . . 106.23 110.917 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . . . -56.05 -36.62 68.24 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.287 -0.565 . . . . 112.12 110.968 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' C' ' 22' ' ' GLU . 4.5 mt -70.4 -30.21 67.04 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.188 -0.605 . . . . 103.33 111.537 -176.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LEU . . . . . 0.834 HD22 HD12 ' C' ' 59' ' ' ILE . 4.8 mp -61.64 -47.33 85.9 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.911 -0.716 . . . . 108.33 110.699 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.16 -44.1 74.87 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.556 -0.457 . . . . 161.7 110.942 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.85 -44.67 82.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.219 -0.592 . . . . 117.48 110.694 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' MET . . . . . . . . . . . . . . . -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.649 -0.42 . . . . 123.51 110.744 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . . . -55.77 -43.79 77.07 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.449 -0.5 . . . . 130.8 111.064 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . . . -58.82 -47.55 84.41 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.547 -0.461 . . . . 128.14 110.998 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LEU . . . . . 0.404 HD23 ' N ' ' C' ' 33' ' ' LEU . 3.2 mt -66.44 -32.18 73.39 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.991 -0.683 . . . . 127.59 111.469 -175.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' LEU . . . . . 0.743 HD21 ' CG2' ' C' ' 48' ' ' ILE . 4.7 mp -64.28 -47.14 80.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.336 -0.546 . . . . 132.86 110.886 175.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -57.84 -37.69 74.31 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.1 -0.64 . . . . 137.59 110.569 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . . . -69.99 -43.97 70.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.616 -0.434 . . . . 140.09 111.421 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.6 144.81 32.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.286 0.565 . . . . 156.59 111.569 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -138.17 42.13 2.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.386 -0.825 . . . . 196.8 109.781 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.56 12.2 39.19 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.341 0.896 . . . . 154.8 115.341 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.32 155.66 46.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.693 1.246 . . . . 147.96 109.13 -178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.66 156.07 24.52 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.188 0.994 . . . . 145.91 110.819 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -54.14 -38.82 65.9 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.126 -0.943 . . . . 136.49 111.233 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . . . -56.73 -53.54 56.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.454 -0.498 . . . . 138.68 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -58.3 -66.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.778 -0.452 . . . . 133.21 109.778 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.81 65.1 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 128.55 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.32 -43.74 83.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.058 -0.657 . . . . 132.28 110.767 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 99.0 m -58.23 -45.4 87.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.215 -0.594 . . . . 128.05 110.812 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ILE . . . . . 0.743 ' CG2' HD21 ' C' ' 34' ' ' LEU . 97.6 mt -59.42 -52.45 60.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.052 -0.659 . . . . 118.98 110.018 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.95 -41.03 23.88 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.643 -0.423 . . . . 123.42 110.801 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.62 -52.37 64.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.683 -0.407 . . . . 140.8 110.652 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.01 -46.38 85.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.721 0.296 . . . . 112.44 111.209 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.35 -46.34 80.58 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.465 -0.494 . . . . 116.63 111.083 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -55.19 -50.63 68.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.42 -0.512 . . . . 108.87 110.49 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . . . -59.63 -47.52 85.28 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.473 -0.491 . . . . 106.66 110.78 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . . . -58.33 -51.98 67.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.412 -0.515 . . . . 100.61 110.719 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.89 -47.59 64.48 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.825 -0.35 . . . . 102.1 110.835 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . . . -56.02 -46.12 78.92 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.405 -0.518 . . . . 106.52 110.581 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.81 -41.15 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.421 -0.512 . . . . 97.22 110.46 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' ILE . . . . . 0.834 HD12 HD22 ' C' ' 27' ' ' LEU . 53.2 mt -54.25 -56.2 10.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.597 0.713 . . . . 102.56 109.982 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.9 -42.56 65.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.279 -0.419 . . . . 107.18 110.96 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . . . -54.9 -61.33 2.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.391 -0.524 . . . . 101.92 110.483 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -57.92 -43.0 85.96 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.209 -0.596 . . . . 99.51 111.143 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . . . -53.07 -49.94 65.36 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.462 -0.495 . . . . 102.85 110.498 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.84 -40.91 85.62 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.372 -0.531 . . . . 104.72 110.84 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.61 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.375 -0.53 . . . . 105.93 110.076 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.19 82.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.504 -0.478 . . . . 108.95 110.838 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . . . -57.06 -51.14 70.48 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.458 -0.497 . . . . 113.62 110.509 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' GLU . . . . . . . . . . . . . . . -55.31 -44.11 75.49 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.588 -0.445 . . . . 108.74 110.976 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.28 -48.63 80.92 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.101 -0.639 . . . . 117.04 110.786 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . . . -45.37 -50.12 12.5 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.009 0.433 . . . . 117.94 110.483 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -62.47 -57.64 10.48 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.268 -0.573 . . . . 167.99 110.707 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . . . -53.45 -48.17 57.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.168 0.508 . . . . 118.28 110.352 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.31 91.07 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.278 -0.569 . . . . 125.84 110.78 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -57.26 -42.55 81.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.581 -0.448 . . . . 124.88 110.958 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.293 0.568 . . . . 157.71 109.65 178.059 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 118.67 110.201 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . . . -56.22 -46.48 79.49 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.948 -0.569 . . . . 117.64 110.997 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . . . -62.67 -37.58 86.97 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.248 -0.581 . . . . 123.68 110.933 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 84' ' ' GLU . . . . . . . . . . . . . . . -58.05 -50.83 72.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.436 -0.506 . . . . 118.41 110.701 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 85' ' ' ARG . . . . . . . . . . . . . . . -60.2 -42.8 95.88 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.313 -0.555 . . . . 120.51 110.872 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -56.95 -47.22 81.22 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.616 -0.434 . . . . 118.34 110.724 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 87' ' ' ARG . . . . . . . . . . . . . . . -57.01 -47.0 81.91 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.595 -0.442 . . . . 116.45 110.791 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 88' ' ' ARG . . . . . . . . . . . . . . . -57.15 -47.62 80.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.554 -0.458 . . . . 118.86 110.739 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . . . . -58.76 -44.33 90.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.552 -0.459 . . . . 123.56 111.309 177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 90' ' ' GLN . . . . . . . . . . . . . . . -62.21 -52.21 64.7 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.691 -0.404 . . . . 111.01 111.061 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 91' ' ' GLU . . . . . . . . . . . . . . . -57.9 -48.07 80.95 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.31 -0.556 . . . . 102.69 110.725 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 92' ' ' GLU . . . . . . . . . . . . . . . -62.78 -41.45 99.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.352 -0.539 . . . . 109.39 111.037 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t -62.43 -45.25 93.96 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.148 -0.621 . . . . 105.39 110.944 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.98 -44.8 78.91 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.398 -0.521 . . . . 108.88 111.093 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -57.22 -44.9 84.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.411 -0.515 . . . . 104.36 110.849 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . . . -55.16 -49.91 70.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.688 0.28 . . . . 108.84 110.877 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.51 -43.03 93.51 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.086 -0.646 . . . . 109.25 111.186 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 98' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -55.11 -42.54 73.06 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.3 -0.56 . . . . 125.31 110.945 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.99 -46.98 87.68 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.618 -0.433 . . . . 113.69 110.79 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 100' ' ' MET . . . . . 0.462 ' CE ' HD21 ' D' ' 136' ' ' LEU . 6.8 mtm -61.66 -46.8 88.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.587 -0.445 . . . . 118.17 110.887 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.18 70.71 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.595 -0.442 . . . . 108.21 111.135 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' GLU . . . . . . . . . . . . . . . -61.16 -43.28 99.13 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.246 -0.582 . . . . 110.39 110.789 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 103' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.81 -49.58 80.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.237 -0.585 . . . . 111.41 109.999 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 104' ' ' MET . . . . . . . . . . . . . 80.1 mmm -56.23 -43.56 78.72 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.997 -0.439 . . . . 98.49 111.224 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 105' ' ' ARG . . . . . . . . . . . . . . . -60.66 -44.6 96.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.375 -0.53 . . . . 104.74 110.602 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 106' ' ' ARG . . . . . . . . . . . . . . . -61.4 -41.91 97.89 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.593 -0.443 . . . . 111.1 110.854 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.78 -46.1 97.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.438 -0.505 . . . . 107.03 110.075 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.94 -45.38 71.25 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.994 -0.441 . . . . 108.65 110.777 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 109' ' ' LYS . . . . . . . . . . . . . . . -58.5 -47.88 82.64 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.431 -0.508 . . . . 114.42 110.56 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . . . -63.46 -40.9 98.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.296 -0.562 . . . . 120.77 111.122 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.71 -46.8 86.49 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.447 -0.501 . . . . 121.92 110.862 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.98 -42.29 89.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.43 -0.508 . . . . 127.99 110.963 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 113' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 122.079 -0.388 . . . . 126.92 110.136 178.69 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.653 0.263 . . . . 137.23 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . . . -67.65 -47.14 70.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.322 -0.551 . . . . 139.35 110.797 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 121' ' ' VAL . . . . . . . . . . . . . . . -61.24 -42.18 92.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.548 -0.461 . . . . 116.7 110.32 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.17 85.73 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.858 -0.526 . . . . 119.55 110.776 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 123' ' ' ASP . . . . . . . . . . . . . . . -58.43 -43.3 88.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.43 -0.508 . . . . 125.64 110.974 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.18 -49.49 77.66 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.465 -0.494 . . . . 123.01 110.833 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . . . -56.89 -48.61 77.78 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.584 -0.446 . . . . 115.63 110.934 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -54.21 -46.75 72.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.231 -0.293 . . . . 116.05 111.04 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 127' ' ' LYS . . . . . . . . . . . . . . . -60.51 -46.55 89.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.401 -0.52 . . . . 116.58 110.679 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 128' ' ' ILE . . . . . . . . . . . . . . . -57.07 -45.21 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.152 0.501 . . . . 109.43 110.229 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.48 -49.84 82.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.446 -0.502 . . . . 105.37 110.227 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.5 -36.99 77.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.077 -0.649 . . . . 132.25 111.129 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 131' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -57.61 -46.23 84.35 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.386 -0.526 . . . . 122.73 110.398 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 20.6 mt -60.83 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.106 0.479 . . . . 101.81 110.328 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . . . -58.56 -41.51 85.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.221 -0.591 . . . . 101.05 111.147 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.83 -43.25 94.65 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.004 -0.678 . . . . 97.92 110.72 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . . . -60.45 -42.83 96.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.331 -0.548 . . . . 98.82 111.149 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 136' ' ' LEU . . . . . 0.462 HD21 ' CE ' ' D' ' 100' ' ' MET . 72.2 mt -65.23 -40.38 94.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.35 -0.54 . . . . 98.0 111.263 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 137' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.34 -45.79 76.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.127 -0.629 . . . . 109.06 110.618 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . . . -57.9 -48.44 79.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.559 -0.456 . . . . 106.67 110.759 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 21.7 t -58.55 -44.92 89.83 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.403 -0.519 . . . . 102.91 110.971 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.45 -43.27 75.27 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.478 -0.489 . . . . 101.41 111.034 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.33 -38.49 91.34 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.526 -0.47 . . . . 101.86 111.065 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 142' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.46 -51.29 43.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.367 0.603 . . . . 102.03 109.982 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -60.78 -37.53 82.21 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.094 -0.379 . . . . 104.66 111.104 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 144' ' ' GLU . . . . . . . . . . . . . . . -57.7 -49.38 76.73 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.004 -0.678 . . . . 115.59 110.34 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . . . -59.87 -48.8 80.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.769 -0.373 . . . . 110.92 110.831 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 146' ' ' SER . . . . . . . . . . . . . . . -59.12 -45.45 90.89 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.474 -0.49 . . . . 119.92 111.101 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.01 -41.91 79.37 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.161 -0.616 . . . . 118.35 110.761 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . . . -53.97 -51.37 64.11 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.583 -0.447 . . . . 119.22 110.932 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 149' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.93 -55.85 15.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.195 0.521 . . . . 127.58 110.198 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.75 73.65 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.122 -0.361 . . . . 122.5 111.336 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 151' ' ' TYR . . . . . . . . . . . . . . . -63.97 -45.49 88.88 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.127 -0.629 . . . . 132.73 110.71 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 152' ' ' LYS . . . . . . . . . . . . . . . -66.66 -36.62 82.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 127.81 111.447 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 O-C-N 122.116 -0.365 . . . . 133.29 111.403 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.776 0.322 . . . . 128.46 110.275 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 4' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' E' ' 8' ' ' GLU . . . -64.74 -40.53 95.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.332 -0.547 . . . . 140.26 111.008 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . . . -60.98 -49.42 77.51 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.579 -0.448 . . . . 126.26 110.729 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' LEU . . . . . 0.43 ' O ' HG13 ' E' ' 10' ' ' ILE . . . -49.06 -62.25 1.63 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.78 -0.368 . . . . 129.71 110.059 168.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 7' ' ' ARG . . . . . . . . . . . . . . . -46.23 -44.41 16.24 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.632 -0.258 . . . . 128.68 111.241 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' E' ' 4' ' ' GLU . . . -56.83 -45.22 82.48 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.183 -0.607 . . . . 126.7 110.894 172.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 9' ' ' ASN . . . . . . . . . . . . . . . -60.99 -44.73 96.97 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.607 -0.437 . . . . 128.25 111.222 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' ILE . . . . . 0.43 HG13 ' O ' ' E' ' 6' ' ' LEU . 33.3 mt -57.77 -52.42 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.091 -0.644 . . . . 134.89 110.13 -179.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . . . -54.76 -46.69 74.38 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.949 -0.47 . . . . 138.16 111.024 -179.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.99 -45.37 95.07 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.208 -0.597 . . . . 136.03 111.265 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.597 -0.441 . . . . 140.37 111.037 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.22 -48.31 76.72 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.545 -0.462 . . . . 137.72 110.83 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -57.53 -48.86 78.16 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.569 -0.452 . . . . 133.62 110.942 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' HIS . . . . . . . . . . . . . . . -56.43 -47.6 78.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.759 -0.376 . . . . 143.68 111.173 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.27 -43.8 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.036 -0.666 . . . . 143.72 110.092 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . . . -59.6 -50.0 75.56 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 122.053 -0.404 . . . . 138.55 110.992 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.38 -49.19 78.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.077 -0.649 . . . . 134.22 110.04 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . . . -51.78 -47.06 64.35 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.055 -0.403 . . . . 130.66 110.973 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' ARG . . . . . . . . . . . . . . . -59.59 -43.32 93.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.032 -0.667 . . . . 126.86 110.797 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . . . -61.06 -46.57 90.11 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.676 -0.41 . . . . 125.77 110.811 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . . . -59.4 -49.61 82.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.069 0.462 . . . . 118.23 110.344 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' E' ' 59' ' ' ILE . . . -58.29 -36.2 72.96 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.139 -0.625 . . . . 113.78 110.897 178.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.39 -48.28 82.25 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.564 -0.454 . . . . 114.65 110.727 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.11 -49.34 76.32 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.979 -0.688 . . . . 115.82 110.648 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . . . -53.14 -47.81 68.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.48 -0.488 . . . . 109.64 110.81 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . . . -52.3 -45.15 65.41 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.427 -0.509 . . . . 109.71 110.773 171.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . . . -61.36 -43.22 99.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.564 -0.455 . . . . 118.55 110.882 174.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.14 -44.33 97.49 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.264 -0.574 . . . . 146.12 110.993 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 31' ' ' GLU . . . . . . . . . . . . . . . -57.86 -46.64 84.54 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.493 -0.483 . . . . 126.02 110.844 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 32' ' ' GLU . . . . . . . . . . . . . . . -60.73 -46.71 89.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.523 -0.471 . . . . 120.22 110.883 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.55 -45.15 94.95 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.47 -0.492 . . . . 131.24 111.312 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.377 -0.529 . . . . 125.11 110.955 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . . . -61.69 -45.43 94.03 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.376 -0.53 . . . . 127.81 111.22 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' LYS . . . . . . . . . . . . . . . -58.59 -47.88 82.82 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.544 -0.462 . . . . 128.76 110.713 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 138.78 109.992 177.127 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.893 0.378 . . . . 143.14 110.39 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 43' ' ' ASP . . . . . . . . . . . . . . . -58.91 -51.47 69.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.327 -0.549 . . . . 118.15 110.678 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' F' ' 114' ' ' ALA . 65.8 t -60.79 -53.53 47.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.087 0.47 . . . . 128.18 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.96 48.65 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.018 -0.426 . . . . 114.1 111.042 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' LYS . . . . . . . . . . . . . . . -59.66 -44.58 93.52 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.267 -0.573 . . . . 102.26 110.871 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 99.1 m -59.59 -49.68 76.8 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.614 -0.434 . . . . 113.62 111.013 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 27.2 mt -55.45 -45.97 78.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 101.82 110.078 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -58.53 -38.23 77.3 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.457 -0.497 . . . . 113.56 110.708 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' GLU . . . . . . . . . . . . . . . -61.32 -49.06 78.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.484 -0.486 . . . . 116.03 110.648 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.08 -45.34 87.31 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.379 -0.529 . . . . 108.52 111.062 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . . . -57.51 -49.0 77.73 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.511 -0.475 . . . . 106.76 110.918 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -57.81 -42.11 83.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.346 -0.542 . . . . 110.82 110.865 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.89 -51.48 69.83 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.456 -0.498 . . . . 109.28 110.603 174.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . . . -53.0 -53.01 56.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 106.28 111.04 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.97 -45.41 64.42 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.565 -0.454 . . . . 109.88 111.142 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . . . -59.54 -51.03 71.6 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.679 -0.408 . . . . 109.8 110.696 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.59 -51.85 38.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.235 0.541 . . . . 112.45 109.644 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 59' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' E' ' 24' ' ' LEU . 60.2 mt -51.47 -42.85 29.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.0 0.428 . . . . 113.87 110.551 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 60' ' ' GLU . . . . . . . . . . . . . . . -62.36 -47.49 83.94 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.398 -0.521 . . . . 115.39 110.738 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 61' ' ' ARG . . . . . . . . . . . . . . . -59.4 -42.54 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.519 -0.473 . . . . 111.44 111.048 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 62' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.99 -44.35 92.93 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.17 -0.612 . . . . 109.4 111.125 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 63' ' ' GLN . . . . . . . . . . . . . . . -54.58 -49.84 69.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.579 -0.448 . . . . 112.05 110.923 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 64' ' ' ARG . . . . . . . . . . . . . . . -55.17 -47.31 75.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.38 -0.528 . . . . 105.33 110.484 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 65' ' ' ILE . . . . . . . . . . . . . . . -54.65 -51.05 54.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.067 0.46 . . . . 104.28 110.227 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.24 86.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.436 -0.505 . . . . 108.14 110.727 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 67' ' ' LYS . . . . . . . . . . . . . . . -59.29 -46.15 89.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.295 -0.562 . . . . 113.92 111.015 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 68' ' ' GLU . . . . . . . . . . . . . . . -58.51 -46.13 87.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.534 -0.466 . . . . 111.96 110.796 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . . . -49.98 -44.75 51.08 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.557 -0.457 . . . . 116.76 111.108 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 70' ' ' GLU . . . . . . . . . . . . . . . -59.29 -40.04 84.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.55 -0.46 . . . . 122.17 111.115 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.12 -44.15 92.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.57 . . . . 121.83 110.798 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . . . -60.32 -45.44 96.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.543 . . . . 120.43 110.266 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.94 88.33 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 122.018 -0.426 . . . . 128.6 110.854 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 74' ' ' ARG . . . . . . . . . . . . . . . -56.87 -48.64 77.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.625 -0.43 . . . . 130.99 110.781 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 75' ' ' GLU . . . . . . . . . . . . . . . -58.22 -45.01 88.45 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.412 -0.515 . . . . 129.27 111.139 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 76' ' ' ARG . . . . . . . . . . . . . . . -61.71 -46.57 89.1 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 128.6 110.819 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.091 0.472 . . . . 123.58 110.836 179.742 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 82' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.687 0.279 . . . . 117.76 111.132 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.9 -41.56 87.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.261 -0.576 . . . . 119.55 110.961 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 84' ' ' GLU . . . . . . . . . . . . . . . -61.42 -39.7 91.73 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.415 -0.514 . . . . 125.56 110.913 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 85' ' ' ARG . . . . . . . . . . . . . . . -59.59 -49.35 78.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.542 -0.463 . . . . 124.7 110.68 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . . . -56.18 -51.2 68.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.522 -0.471 . . . . 119.3 110.742 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 87' ' ' ARG . . . . . . . . . . . . . . . -62.86 -39.23 93.76 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.47 -0.492 . . . . 122.58 111.14 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 88' ' ' ARG . . . . . . . . . . . . . . . -56.27 -50.05 72.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.491 -0.484 . . . . 113.55 110.822 178.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.08 -44.64 91.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.375 -0.53 . . . . 109.07 111.137 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 90' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.05 -45.69 79.17 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.636 -0.426 . . . . 112.69 110.929 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 91' ' ' GLU . . . . . . . . . . . . . . . -53.94 -40.64 66.95 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.803 -0.359 . . . . 114.41 111.162 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 92' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.99 -41.64 99.62 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.639 -0.824 . . . . 130.91 110.769 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 93' ' ' SER . . . . . . . . . . . . . 39.3 t -59.1 -44.2 91.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.637 -0.425 . . . . 111.98 111.19 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 94' ' ' LYS . . . . . . . . . . . . . . . -62.0 -45.98 91.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.661 -0.415 . . . . 101.01 110.841 176.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.27 -45.16 72.39 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.53 -0.468 . . . . 102.35 110.814 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 96' ' ' LEU . . . . . . . . . . . . . . . -58.51 -47.06 85.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.67 -0.412 . . . . 108.79 110.718 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . . . -57.82 -45.76 85.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.543 -0.463 . . . . 113.12 111.146 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 98' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -56.25 -44.28 79.5 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.163 -0.615 . . . . 128.22 110.89 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.23 -45.85 90.05 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.515 -0.474 . . . . 110.75 110.675 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 100' ' ' MET . . . . . . . . . . . . . 55.0 mtp -56.64 -56.62 19.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.957 0.408 . . . . 114.67 110.907 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.1 86.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.555 -0.458 . . . . 114.73 111.236 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.17 -44.74 92.15 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.2 -0.6 . . . . 107.32 110.87 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 103' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.12 -50.93 74.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.078 0.465 . . . . 108.16 110.004 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 104' ' ' MET . . . . . . . . . . . . . 48.4 mmm -53.63 -47.47 70.26 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.1 -0.375 . . . . 113.42 111.022 -177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 105' ' ' ARG . . . . . . . . . . . . . . . -55.16 -48.99 72.96 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.265 -0.574 . . . . 108.66 110.56 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 106' ' ' ARG . . . . . . . . . . . . . . . -57.24 -49.89 74.6 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.775 -0.37 . . . . 110.68 110.784 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 107' ' ' ILE . . . . . . . . . . . . . . . -55.53 -41.35 63.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.477 -0.489 . . . . 105.73 110.308 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 108' ' ' LYS . . . . . . . . . . . . . . . -58.3 -47.53 83.39 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.911 -0.493 . . . . 116.64 110.714 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 109' ' ' LYS . . . . . . . . . . . . . . . -57.6 -54.57 45.42 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.653 -0.419 . . . . 121.65 111.105 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.46 -38.1 79.88 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.558 -0.457 . . . . 127.56 111.183 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.02 -49.81 72.65 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.587 -0.445 . . . . 142.17 110.822 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 112' ' ' LYS . . . . . . . . . . . . . . . -56.29 -52.13 65.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.595 -0.442 . . . . 140.24 110.861 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.96 -42.54 94.33 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.383 -0.527 . . . . 158.93 111.088 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 114' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' E' ' 44' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 166.78 110.318 -177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 118' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.687 0.28 . . . . 216.69 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . . . -59.71 -40.69 88.79 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.205 -0.452 . . . . 168.35 111.421 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 120' ' ' LYS . . . . . . . . . . . . . . . -54.65 -53.76 50.59 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.347 -0.541 . . . . 142.12 110.681 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 121' ' ' VAL . . . . . . . . . . . . . . . -58.25 -49.79 80.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.088 0.471 . . . . 136.35 110.403 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 122' ' ' LEU . . . . . . . . . . . . . . . -56.02 -54.41 45.23 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.006 -0.434 . . . . 139.91 111.035 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 123' ' ' ASP . . . . . . . . . . . . . . . -56.26 -42.13 76.9 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.18 -0.608 . . . . 121.04 110.763 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 124' ' ' GLU . . . . . . . . . . . . . . . -56.94 -46.47 82.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.53 -0.468 . . . . 118.68 110.727 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.13 -47.12 87.23 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.292 -0.563 . . . . 114.09 111.135 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.74 -44.25 73.38 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.677 -0.409 . . . . 119.32 111.001 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 127' ' ' LYS . . . . . . . . . . . . . . . -61.4 -42.47 98.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.153 -0.619 . . . . 111.83 110.742 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 128' ' ' ILE . . . . . . . . . . . . . . . -59.78 -53.02 54.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.175 0.512 . . . . 104.83 110.052 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 129' ' ' ILE . . . . . . . . . . . . . . . -55.94 -42.95 73.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 O-C-N 121.92 -0.487 . . . . 98.47 110.308 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.04 -46.65 88.81 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 121.858 -0.526 . . . . 112.13 110.819 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 131' ' ' ARG . . . . . . . . . . . . . . . -59.22 -42.33 90.73 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.348 -0.541 . . . . 113.26 110.778 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 132' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.201 0.524 . . . . 108.35 110.064 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . . . -54.32 -42.65 70.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.034 -0.416 . . . . 115.05 110.994 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 134' ' ' GLU . . . . . . . . . . . . . . . -60.05 -50.48 73.55 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.539 -0.464 . . . . 115.0 110.785 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . . . -57.68 -44.5 85.82 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 112.86 111.074 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 136' ' ' LEU . . . . . . . . . . . . . . . -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.449 -0.501 . . . . 114.47 110.902 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 137' ' ' ASP . . . . . . . . . . . . . . . -57.58 -42.34 82.95 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.431 -0.508 . . . . 112.51 111.075 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.07 -45.66 90.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.288 -0.565 . . . . 118.39 110.94 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 139' ' ' SER . . . . . . . . . . . . . . . -57.69 -46.97 83.6 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.768 -0.373 . . . . 111.63 110.855 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . . . -53.22 -49.7 66.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.804 -0.358 . . . . 114.56 111.08 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 141' ' ' LYS . . . . . . . . . . . . . . . -58.06 -44.79 87.68 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.387 -0.525 . . . . 112.29 111.082 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 142' ' ' ILE . . . . . . . . . . . . . . . -57.13 -42.35 79.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.623 -0.431 . . . . 112.57 110.418 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.17 -36.94 81.17 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.169 -0.612 . . . . 123.64 111.124 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 144' ' ' GLU . . . . . . . . . . . . . . . -62.97 -47.62 82.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.362 -0.535 . . . . 121.8 110.828 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 145' ' ' ARG . . . . . . . . . . . . . . . -55.89 -39.29 71.36 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.487 -0.485 . . . . 125.73 110.982 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 146' ' ' SER . . . . . . . . . . . . . 58.8 m -59.73 -33.4 71.59 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.359 -0.536 . . . . 150.2 111.112 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.64 -45.86 84.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.078 -0.649 . . . . 135.59 110.713 171.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 148' ' ' GLU . . . . . . . . . . . . . . . -58.84 -41.5 87.07 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.565 -0.454 . . . . 139.88 110.846 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.34 -45.74 85.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.176 0.512 . . . . 137.13 110.127 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.26 74.07 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.959 -0.463 . . . . 145.68 110.807 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 151' ' ' TYR . . . . . . . . . . . . . . . -59.31 -46.81 87.55 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.656 -0.418 . . . . 151.17 110.9 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 152' ' ' LYS . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.394 -0.522 . . . . 155.91 111.034 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 54.74 110.592 178.689 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.607 0.241 . . . . 125.74 110.415 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . . . -60.01 -40.52 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.993 -0.683 . . . . 152.72 110.669 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . . . -52.89 -33.39 49.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.701 -0.4 . . . . 132.75 111.087 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . . . -61.06 -47.42 86.45 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.579 -0.449 . . . . 125.32 110.742 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.1 -48.91 79.87 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.573 -0.451 . . . . 124.54 110.848 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 7' ' ' ARG . . . . . . . . . . . . . . . -57.66 -43.74 85.19 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.377 -0.529 . . . . 122.41 111.117 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 8' ' ' GLU . . . . . . . . . . . . . . . -66.24 -36.49 83.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.416 -0.514 . . . . 135.08 111.211 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 9' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -61.38 -50.51 72.6 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.306 -0.558 . . . . 126.34 110.746 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . . . -54.76 -41.11 54.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.13 0.49 . . . . 125.58 110.132 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.02 -44.92 96.7 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.297 -0.561 . . . . 126.44 111.09 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . . . -57.89 -49.84 75.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.79 -0.364 . . . . 123.0 111.031 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.93 93.24 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.455 -0.498 . . . . 115.74 111.044 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 14' ' ' LYS . . . . . . . . . . . . . . . -58.96 -47.08 86.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.598 -0.441 . . . . 120.58 110.687 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 15' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -57.52 -44.93 85.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.308 -0.557 . . . . 122.33 111.103 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 16' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' G' ' 20' ' ' MET . 3.3 t-80 -53.75 -54.69 34.63 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.537 -0.465 . . . . 133.79 110.392 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 17' ' ' ILE . . . . . . . . . . . . . 88.2 mt -48.84 -55.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.436 0.636 . . . . 108.34 110.013 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.23 -48.08 62.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.331 -0.395 . . . . 114.76 111.063 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 19' ' ' ILE . . . . . . . . . . . . . . . -59.45 -49.84 82.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.232 -0.587 . . . . 114.82 109.965 174.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 20' ' ' MET . . . . . 0.747 ' CE ' HG23 ' G' ' 59' ' ' ILE . 36.2 mmm -59.0 -41.25 87.22 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.388 -0.525 . . . . 113.93 111.082 -178.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 21' ' ' ARG . . . . . . . . . . . . . . . -60.49 -46.98 88.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.425 -0.51 . . . . 114.21 110.784 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -56.65 -43.46 80.34 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.078 -0.649 . . . . 140.41 110.854 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -59.84 -43.84 92.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.963 -0.695 . . . . 114.23 110.001 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . . . -50.79 -50.75 55.4 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 122.043 -0.41 . . . . 109.25 110.763 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 25' ' ' GLU . . . . . . . . . . . . . . . -60.19 -45.0 94.63 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.154 -0.619 . . . . 112.81 110.745 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . . . -54.83 -53.02 60.66 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.598 -0.441 . . . . 113.78 110.715 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' LEU . . . . . . . . . . . . . . . -57.57 -42.71 83.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.337 -0.545 . . . . 117.67 110.916 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' GLN . . . . . . . . . . . . . . . -55.43 -49.75 71.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.456 -0.497 . . . . 115.98 110.74 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.83 -42.91 80.46 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.476 -0.49 . . . . 123.89 110.888 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 30' ' ' MET . . . . . 0.435 ' CG ' HG21 ' H' ' 128' ' ' ILE . 73.6 mtp -59.12 -49.26 78.55 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.487 -0.485 . . . . 124.58 111.1 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 31' ' ' GLU . . . . . . . . . . . . . . . -54.58 -46.48 73.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.824 -0.35 . . . . 121.54 110.991 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 32' ' ' GLU . . . . . . . . . . . . . . . -59.59 -49.68 76.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.529 -0.468 . . . . 127.42 110.751 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . . . -56.99 -46.44 82.24 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.716 -0.394 . . . . 123.17 110.973 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . . . -56.64 -50.38 72.21 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.626 -0.43 . . . . 138.27 111.152 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . . . -57.31 -42.93 82.76 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.604 -0.438 . . . . 131.87 111.189 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 36' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.05 85.91 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 130.28 111.021 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 122.16 -0.337 . . . . 126.33 110.56 179.26 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.698 0.285 . . . . 152.49 110.867 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 43' ' ' ASP . . . . . . . . . . . . . . . -59.97 -43.3 95.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.341 -0.544 . . . . 147.56 111.119 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 44' ' ' VAL . . . . . . . . . . . . . . . -56.9 -48.76 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.154 0.502 . . . . 140.13 110.109 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.6 75.5 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 121.939 -0.475 . . . . 138.28 110.837 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.41 -47.78 80.82 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.871 -0.331 . . . . 138.12 110.942 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . . . -56.93 -47.34 80.86 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.408 -0.517 . . . . 133.29 110.651 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . . . -58.91 -46.91 91.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.146 0.498 . . . . 127.76 110.145 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . . . -57.77 -51.88 67.76 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.669 -0.413 . . . . 131.12 110.948 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 50' ' ' GLU . . . . . . . . . . . . . . . -56.86 -45.78 82.23 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.36 -0.536 . . . . 132.78 111.089 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 51' ' ' LEU . . . . . . . . . . . . . . . -56.95 -45.47 82.8 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.509 -0.477 . . . . 123.16 111.165 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 52' ' ' LEU . . . . . . . . . . . . . . . -60.49 -44.6 95.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.724 -0.391 . . . . 123.63 111.394 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -61.65 -46.89 87.83 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.707 -0.397 . . . . 133.92 110.868 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 54' ' ' ARG . . . . . . . . . . . . . . . -56.42 -48.22 77.42 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.6 -0.44 . . . . 124.09 110.809 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.31 -50.79 72.22 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.607 -0.437 . . . . 143.25 110.812 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 56' ' ' LYS . . . . . . . . . . . . . . . -50.63 -46.36 58.23 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.817 -0.353 . . . . 115.01 110.987 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . . . -60.27 -45.47 93.2 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.401 -0.52 . . . . 117.32 110.719 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 58' ' ' ILE . . . . . . . . . . . . . . . -63.87 -36.66 77.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.969 0.414 . . . . 114.86 110.451 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 59' ' ' ILE . . . . . 0.747 HG23 ' CE ' ' G' ' 20' ' ' MET . 59.8 mt -60.66 -53.86 43.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 120.352 -0.539 . . . . 117.49 109.991 176.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.87 -49.17 66.37 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.1 -0.375 . . . . 120.65 111.211 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 61' ' ' ARG . . . . . . . . . . . . . . . -68.75 -31.5 70.6 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.647 -0.821 . . . . 140.84 111.089 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 62' ' ' ASN . . . . . . . . . . . . . . . -60.63 -46.96 88.34 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.219 -0.592 . . . . 110.54 110.5 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 63' ' ' GLN . . . . . . . . . . . . . . . -60.66 -39.9 90.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.431 -0.508 . . . . 115.33 110.744 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.32 -47.56 83.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.518 -0.473 . . . . 117.21 110.646 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 65' ' ' ILE . . . . . . . . . . . . . . . -57.47 -44.25 84.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.546 -0.461 . . . . 116.65 110.312 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.74 76.46 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.907 -0.495 . . . . 121.54 110.759 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 67' ' ' LYS . . . . . . . . . . . . . . . -58.22 -44.87 88.39 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.5 -0.48 . . . . 121.12 111.056 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 68' ' ' GLU . . . . . . . . . . . . . . . -59.93 -41.53 91.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.506 -0.478 . . . . 120.87 110.9 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 69' ' ' HIS . . . . . . . . . . . . . . . -57.57 -42.39 82.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.53 -0.468 . . . . 122.52 110.867 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 70' ' ' GLU . . . . . . . . . . . . . . . -61.72 -48.43 80.78 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.564 -0.455 . . . . 125.47 110.77 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.39 -50.95 71.96 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.703 -0.399 . . . . 121.84 110.814 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 72' ' ' ILE . . . . . . . . . . . . . . . -57.38 -46.85 85.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.174 0.511 . . . . 121.0 110.247 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.27 74.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.953 -0.467 . . . . 130.71 111.162 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.85 -42.98 94.84 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.357 -0.537 . . . . 127.25 111.162 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 75' ' ' GLU . . . . . . . . . . . . . . . -59.19 -52.72 64.47 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.366 -0.534 . . . . 125.5 110.84 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 76' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 122.077 -0.39 . . . . 53.22 110.842 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 81' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' H' ' 82' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.977 0.418 . . . . 149.65 109.945 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 82' ' ' LEU . . . . . 0.647 ' N ' ' HG3' ' H' ' 81' ' ' LYS . . . -97.47 -19.19 18.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.577 0.751 . . . . 132.93 111.629 -176.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 83' ' ' LEU . . . . . . . . . . . . . . . -37.37 -39.04 0.26 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.791 -1.189 . . . . 128.22 107.791 159.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 84' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' H' ' 87' ' ' ARG . . . -59.69 -58.01 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.387 -0.37 . . . . 130.04 110.8 167.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 85' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' H' ' 82' ' ' LEU . . . -42.08 -44.05 3.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.365 0.602 . . . . 128.28 111.493 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . . . -61.74 -39.42 91.5 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.047 -0.661 . . . . 123.29 110.799 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 87' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' H' ' 84' ' ' GLU . . . -61.38 -46.95 88.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.875 -0.33 . . . . 127.81 111.101 -178.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.68 -46.76 89.12 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.42 -0.512 . . . . 128.02 110.601 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.39 -48.19 82.57 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.557 -0.457 . . . . 124.89 110.781 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 90' ' ' GLN . . . . . . . . . . . . . . . -57.09 -43.5 82.24 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.468 -0.493 . . . . 121.04 110.995 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 91' ' ' GLU . . . . . . . . . . . . . . . -58.02 -47.74 82.15 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.363 -0.535 . . . . 125.03 110.69 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 92' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.13 -44.66 79.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.426 -0.509 . . . . 123.57 111.105 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 93' ' ' SER . . . . . . . . . . . . . . . -53.79 -45.18 70.64 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.566 -0.454 . . . . 121.24 111.151 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 94' ' ' LYS . . . . . . . . . . . . . . . -56.1 -52.48 64.16 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.673 -0.411 . . . . 118.63 110.842 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 95' ' ' ARG . . . . . . . . . . . . . . . -55.8 -46.44 78.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.466 -0.494 . . . . 119.93 110.785 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 96' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' H' ' 100' ' ' MET . 53.1 mt -57.61 -57.25 13.53 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.939 0.4 . . . . 116.45 110.656 176.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 97' ' ' LEU . . . . . . . . . . . . . . . -49.42 -44.43 45.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.828 -0.349 . . . . 115.86 111.354 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . . . -61.33 -44.17 97.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.265 -0.574 . . . . 121.39 110.884 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 99' ' ' GLU . . . . . . . . . . . . . . . -57.02 -42.7 80.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.338 -0.545 . . . . 120.63 110.962 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 100' ' ' MET . . . . . 0.549 ' CE ' HG12 ' G' ' 59' ' ' ILE . 27.0 mtp -62.74 -47.46 83.48 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 122.199 -0.313 . . . . 118.48 110.87 179.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.94 -47.23 64.84 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.89 -0.324 . . . . 125.68 110.841 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 102' ' ' GLU . . . . . . . . . . . . . . . -57.16 -45.41 83.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.385 -0.526 . . . . 118.24 110.977 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 103' ' ' ILE . . . . . . . . . . . . . . . -60.93 -44.75 98.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.661 -0.416 . . . . 112.59 110.368 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 104' ' ' MET . . . . . . . . . . . . . . . -58.24 -50.41 73.68 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.93 -0.481 . . . . 120.69 110.852 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 105' ' ' ARG . . . . . . . . . . . . . . . -58.8 -48.48 81.14 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.485 . . . . 124.55 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 106' ' ' ARG . . . . . . . . . . . . . . . -52.73 -54.23 36.67 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.815 -0.354 . . . . 120.16 111.111 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 107' ' ' ILE . . . . . . . . . . . . . . . -58.47 -36.56 59.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.637 -0.425 . . . . 115.42 110.594 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 108' ' ' LYS . . . . . . . . . . . . . . . -55.1 -51.67 65.68 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.896 -0.502 . . . . 122.48 110.754 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 109' ' ' LYS . . . . . . . . . . . . . . . -61.49 -40.08 93.25 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.138 -0.625 . . . . 121.1 110.832 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.87 -47.63 84.97 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.709 -0.396 . . . . 118.67 110.961 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.36 -47.68 83.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.618 -0.433 . . . . 126.25 110.934 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.84 -41.53 87.15 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.517 -0.473 . . . . 123.85 111.093 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 113' ' ' LYS . . . . . . . . . . . . . . . -72.31 -42.41 65.49 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.366 -0.533 . . . . 127.06 111.193 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 O-C-N 122.167 -0.333 . . . . 123.84 111.632 -176.848 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 121' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.733 -0.469 . . . . 126.41 109.733 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.86 -41.06 73.78 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.905 -0.589 . . . . 117.08 111.497 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 123' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.11 -43.59 98.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.997 -0.681 . . . . 122.66 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.06 -48.84 80.15 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.282 -0.567 . . . . 119.23 110.836 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 125' ' ' LEU . . . . . . . . . . . . . . . -61.22 -44.55 97.09 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.584 -0.446 . . . . 123.25 111.043 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 126' ' ' ARG . . . . . . . . . . . . . . . -58.24 -44.93 88.53 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 121.38 110.973 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 127' ' ' LYS . . . . . . . . . . . . . . . -52.46 -49.52 64.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.437 . . . . 117.9 110.686 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 128' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' H' ' 131' ' ' ARG . 83.0 mt -49.61 -65.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.979 0.895 . . . . 122.53 110.906 169.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 129' ' ' ILE . . . . . . . . . . . . . . . -39.82 -48.47 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.697 1.199 . . . . 118.88 108.671 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . . . -58.89 -51.13 71.35 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.982 -0.687 . . . . 117.53 110.542 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 131' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' H' ' 128' ' ' ILE . . . -56.29 -47.78 77.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.844 -0.342 . . . . 120.22 110.925 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 132' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.92 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.163 0.506 . . . . 113.82 110.123 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 133' ' ' ARG . . . . . . . . . . . . . . . -51.19 -42.11 60.67 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.027 -0.421 . . . . 118.49 111.292 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.45 -48.17 82.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.171 -0.612 . . . . 122.96 110.715 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 135' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.7 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.753 -0.379 . . . . 113.77 111.345 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 136' ' ' LEU . . . . . . . . . . . . . 38.6 mt -58.27 -44.25 88.32 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.387 -0.525 . . . . 113.03 110.974 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 137' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -57.45 -47.43 81.85 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.629 -0.429 . . . . 130.46 110.572 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 138' ' ' ARG . . . . . . . . . . . . . . . -55.57 -51.24 67.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.515 -0.474 . . . . 119.35 110.665 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 139' ' ' SER . . . . . 0.602 ' HA ' HD12 ' H' ' 142' ' ' ILE . . . -61.38 -38.34 86.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.601 -0.44 . . . . 115.02 111.117 179.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 140' ' ' ARG . . . . . . . . . . . . . . . -57.04 -49.49 75.65 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.336 -0.546 . . . . 119.79 110.722 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 141' ' ' LYS . . . . . . . . . . . . . . . -60.72 -32.93 72.18 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.718 -0.393 . . . . 121.93 111.595 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 142' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' H' ' 139' ' ' SER . 96.4 mt -60.51 -58.25 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.257 0.551 . . . . 125.82 109.978 177.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 143' ' ' HIS . . . . . . . . . . . . . . . -45.55 -36.19 4.44 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.132 -0.355 . . . . 125.14 110.626 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 144' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.56 -44.95 89.88 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.428 -0.509 . . . . 127.32 110.535 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 145' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' H' ' 142' ' ' ILE . . . -58.5 -45.22 89.2 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 127.71 110.762 179.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 146' ' ' SER . . . . . . . . . . . . . . . -62.49 -42.94 99.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.099 -0.64 . . . . 128.72 110.754 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 147' ' ' GLU . . . . . . . . . . . . . . . -60.53 -38.96 86.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.428 -0.509 . . . . 152.27 111.018 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 148' ' ' GLU . . . . . . . . . . . . . . . -59.59 -39.78 85.26 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.359 -0.537 . . . . 134.56 110.884 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 149' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.206 0 N-CA-C 109.205 -0.665 . . . . 133.04 109.205 177.611 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.786 0.327 . . . . 93.640000000000001 110.311 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . . . -62.14 -48.26 80.9 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.416 -0.513 . . . . 98.549999999999997 110.578 174.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . . . -66.37 -44.43 83.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.542 -0.463 . . . . 103.61 111.045 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . -57.93 -44.37 86.84 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.213 -0.595 . . . . 89.159999999999997 110.768 177.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . . . -58.97 -45.71 89.89 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.339 -0.545 . . . . 97.510000000000005 110.894 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . . . -59.29 -41.75 89.68 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.631 -0.427 . . . . 91.269999999999996 110.997 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -56.08 -45.5 79.35 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.745 -0.382 . . . . 123.91 110.802 179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . . . -57.48 -51.65 66.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 98.599999999999994 110.295 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -60.39 -46.04 91.41 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 121.906 -0.496 . . . . 100.12 110.965 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . . . -58.64 -49.26 78.16 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.599 -0.441 . . . . 111.22 110.954 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.61 -45.84 84.85 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.465 -0.494 . . . . 101.97 111.176 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.2 -47.69 77.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.807 -0.357 . . . . 106.52 110.946 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . . . -53.68 -47.28 70.59 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.54 -0.464 . . . . 105.95999999999999 110.977 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.688 ' NE2' ' OG ' ' B' ' 139' ' ' SER . 4.3 t-160 -55.98 -47.3 77.93 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.534 -0.466 . . . . 98.189999999999998 110.672 -179.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -55.98 -46.0 80.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.054 0.454 . . . . 103.7 110.166 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -55.67 -48.24 75.38 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.448 -0.501 . . . . 104.62 110.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.8 mt -52.51 -52.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-O 121.177 0.513 . . . . 96.019999999999996 109.984 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mmm -59.03 -37.15 76.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.123 -0.631 . . . . 125.28 110.973 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.9 ttp85 -58.48 -55.95 28.47 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.349 -0.541 . . . . 107.25 110.425 174.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -58.91 -46.41 87.99 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.705 -0.798 . . . . 95.480000000000004 110.752 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 59' ' ' ILE . 84.0 mt -55.29 -48.16 76.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.151 -0.62 . . . . 92.109999999999999 109.835 179.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . . . -55.34 -43.03 74.62 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.087 -0.645 . . . . 105.11 110.669 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.33 -43.65 92.72 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.214 -0.594 . . . . 101.58 111.002 175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.67 -41.3 88.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.465 -0.494 . . . . 105.56 111.396 -176.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . . . -58.77 -41.02 85.63 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.037 -0.665 . . . . 100.58 110.757 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . . . -60.3 -45.72 92.39 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.472 -0.491 . . . . 111.95999999999999 110.497 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.51 -39.71 73.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.072 -0.651 . . . . 109.98999999999999 110.861 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . . . -58.65 -40.3 83.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 105.47 110.948 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.55 -42.38 96.43 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.219 -0.592 . . . . 138.34 110.996 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . -54.12 -47.32 71.98 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.951 0.405 . . . . 126.95 110.823 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HB2' HD21 ' B' ' 125' ' ' LEU . 6.1 mt -71.03 -37.37 72.59 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.051 -0.66 . . . . 125.29000000000001 110.887 -178.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . . . -54.6 -45.51 73.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.298 -0.561 . . . . 134.27000000000001 110.855 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.12 -44.21 92.94 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.482 -0.487 . . . . 184.22999999999999 111.357 175.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.156 0 C-N-CA 122.533 0.333 . . . . 151.56 110.832 -178.765 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.528 0.204 . . . . 125.48999999999999 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . . . -72.87 -42.89 63.2 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.439 -0.504 . . . . 134.38 111.074 179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . . . -62.1 -48.73 78.88 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.366 -0.534 . . . . 154.99000000000001 110.688 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' B' ' 114' ' ' ALA . 55.5 t -58.59 -57.95 8.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.175 0.512 . . . . 122.44 110.258 -179.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.91 75.13 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.6 -0.44 . . . . 114.79000000000001 111.15 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -58.09 -49.99 75.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.343 -0.543 . . . . 123.16 110.548 177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -59.62 -42.37 92.52 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.267 -0.573 . . . . 128.99000000000001 110.773 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.8 mt -56.61 -59.17 3.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.247 0.546 . . . . 115.42 109.968 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.74 -45.48 28.93 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.869 0.366 . . . . 110.65000000000001 111.291 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . . . -62.02 -43.41 98.91 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.033 -0.667 . . . . 115.18000000000001 110.88 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.57 -47.06 85.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.63 -0.428 . . . . 114.13 111.087 -178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.65 -35.73 77.65 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.98 -0.688 . . . . 110.04000000000001 110.8 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . . . -56.68 -55.31 35.66 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.356 -0.538 . . . . 119.64 110.494 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.2 -43.59 87.7 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.621 -0.432 . . . . 107.14 110.967 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 tp -59.4 -50.57 73.45 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.326 -0.549 . . . . 111.34 110.921 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 60' ' ' GLU . . . -45.3 -57.77 3.77 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.936 0.398 . . . . 101.95999999999999 110.414 177.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -51.63 -43.67 62.68 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.592 -0.277 . . . . 112.92 111.43 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.43 HG21 ' CG ' ' B' ' 100' ' ' MET . 96.4 mt -58.69 -48.66 85.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.123 0.487 . . . . 111.88 110.264 -179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 23' ' ' ILE . 11.8 mt -58.36 -46.84 89.11 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 O-C-N 121.999 -0.438 . . . . 96.780000000000001 110.475 -178.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 56' ' ' LYS . 32.3 mt-10 -53.25 -52.01 60.38 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.28 -0.568 . . . . 112.89 110.612 -179.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . . . -57.14 -52.41 65.4 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.707 -0.397 . . . . 103.15000000000001 110.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' OD1' HD21 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -57.19 -40.67 77.86 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.519 -0.472 . . . . 122.37 110.916 175.622 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . . . -52.52 -48.12 66.25 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.232 -0.587 . . . . 101.04000000000001 110.752 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -58.25 -46.06 86.64 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.46 -0.496 . . . . 116.01000000000001 111.023 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.68 -46.39 86.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.466 -0.493 . . . . 100.27 110.189 -178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.4 -51.31 62.97 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.959 -0.463 . . . . 105.64 110.954 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . . . -56.0 -50.56 70.53 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.388 -0.525 . . . . 104.92 110.654 175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . . . -53.1 -46.45 68.68 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.898 0.38 . . . . 97.819999999999993 110.803 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -62.92 -49.36 75.1 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.438 -0.905 . . . . 105.73 110.7 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . . . -48.91 -47.82 43.04 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.563 -0.455 . . . . 103.29000000000001 110.601 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -57.19 -48.69 78.13 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.635 -0.426 . . . . 116.65000000000001 110.654 175.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 86' ' ' SER . 12.1 mt -52.8 -51.06 39.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.244 0.545 . . . . 113.0 109.974 177.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.38 82.63 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.601 -0.439 . . . . 103.73999999999999 110.877 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -61.02 -48.31 82.39 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.47 -0.492 . . . . 112.42 110.608 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.38 -42.47 98.83 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.192 -0.603 . . . . 118.78 110.983 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -58.35 -29.28 65.85 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.196 -0.601 . . . . 142.50999999999999 111.673 -176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.33 0.586 . . . . 118.19 109.525 176.536 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.642 0.258 . . . . 129.75 111.078 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . . . -58.45 -48.51 80.47 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.369 -0.532 . . . . 131.00999999999999 110.89 176.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . . . -56.39 -26.83 54.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.525 -0.47 . . . . 127.45999999999999 111.388 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . . . -60.0 -41.76 92.8 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.512 -0.475 . . . . 123.79000000000001 111.096 176.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . . . -63.21 -46.79 85.36 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.486 -0.486 . . . . 125.01000000000001 111.124 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.59 84.25 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.323 -0.551 . . . . 131.15000000000001 110.904 178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . . . -60.68 -45.11 95.4 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.344 -0.542 . . . . 133.02000000000001 111.092 177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . . . -57.82 -52.68 64.49 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.717 -0.393 . . . . 128.37 110.966 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 72' ' ' ILE . 20.9 t -56.83 -46.41 81.69 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.633 -0.427 . . . . 121.84 111.106 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -58.57 -42.97 89.17 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.676 -0.41 . . . . 124.78 111.405 -177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.77 -47.98 83.86 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 117.69 110.753 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -57.52 -45.14 85.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.638 -0.425 . . . . 114.61 111.495 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLN . . . . . 0.882 ' OE1' ' OG ' ' B' ' 146' ' ' SER . 10.9 mt-30 -61.92 -38.14 87.31 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.091 -0.644 . . . . 114.68000000000001 111.105 -178.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . . . -56.8 -49.81 74.24 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.092 -0.643 . . . . 114.53 110.481 173.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -60.05 -51.04 71.32 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.221 -0.592 . . . . 113.16 110.812 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' B' ' 143' ' ' HIS . 19.9 t -56.89 -39.45 74.42 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.412 -0.515 . . . . 105.48999999999999 111.111 -178.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.93 -46.36 78.51 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.438 -0.505 . . . . 111.16 110.845 174.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.52 -43.17 71.66 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.494 -0.482 . . . . 107.59 111.054 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 8.9 mt -64.91 -46.44 81.68 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 120.548 -0.461 . . . . 100.93000000000001 111.189 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.436 HD21 ' OD1' ' A' ' 62' ' ' ASN . 5.8 mt -63.62 -36.45 83.87 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.905 -0.718 . . . . 100.98 111.009 -175.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -61.33 -50.24 73.75 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.288 -0.565 . . . . 130.22999999999999 110.51 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.02 -43.31 91.55 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.588 -0.445 . . . . 104.65000000000001 110.967 178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' MET . . . . . 0.47 ' HE3' HD21 ' B' ' 136' ' ' LEU . 5.4 mtm -62.56 -53.2 58.16 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.337 -0.545 . . . . 115.76000000000001 110.825 178.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ALA . . . . . . . . . . . . . . . -52.32 -46.09 65.88 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.828 0.347 . . . . 113.06999999999999 111.137 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . . . -62.71 -39.8 95.17 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.066 -0.654 . . . . 129.88 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.13 -50.8 78.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.231 -0.587 . . . . 111.41 109.944 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' MET . . . . . . . . . . . . . 89.7 mmm -54.79 -46.93 74.51 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.524 -0.47 . . . . 210.78999999999999 110.705 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . . . -53.51 -49.1 68.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.984 0.421 . . . . 114.59999999999999 110.213 174.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ARG . . . . . . . . . . . . . . . -53.93 -41.7 68.01 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.635 -0.426 . . . . 116.56 111.06 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.52 -48.07 89.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 C-N-CA 120.439 -0.504 . . . . 113.11 110.351 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.55 -45.96 70.04 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 121.989 -0.444 . . . . 120.52 110.809 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -62.41 -47.98 81.73 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.619 -0.432 . . . . 126.62 110.821 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . . . -61.98 -38.94 90.46 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.576 -0.45 . . . . 127.23999999999999 111.046 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . . . -59.8 -48.84 80.06 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.346 -0.542 . . . . 119.33 110.806 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.97 -40.89 86.13 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.412 -0.515 . . . . 126.83 110.996 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . . . -60.48 -16.83 40.58 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.581 -0.448 . . . . 123.47 111.906 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ALA . . . . . 0.634 ' HB2' HG11 ' A' ' 44' ' ' VAL . . . -93.7 75.33 4.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 122.317 1.056 . . . . 120.78 108.687 -178.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . . . -69.51 -19.44 63.73 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.327 -0.851 . . . . 119.81999999999999 112.012 170.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -67.49 -30.6 75.22 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.516 -0.849 . . . . 113.91 113.71 -172.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.42 168.06 20.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.868 0.842 . . . . 119.67 110.956 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -60.6 130.51 46.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.379 -0.828 . . . . 109.28 110.071 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . . . -61.7 -42.49 99.02 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.377 -0.529 . . . . 112.43000000000001 111.35 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . . . -60.18 -49.91 75.74 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.515 -0.474 . . . . 114.29000000000001 110.886 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 6.8 t -61.06 -42.86 94.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.498 -0.481 . . . . 109.95999999999999 110.467 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.59 -43.18 75.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.204 -0.598 . . . . 112.72 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . . . -61.71 -44.71 96.41 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.405 -0.518 . . . . 115.56 111.242 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . . . -52.43 -49.96 63.53 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.84 -0.344 . . . . 111.54000000000001 110.928 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 33' ' ' LEU . 91.2 mt -57.84 -35.3 70.73 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.431 -0.508 . . . . 105.83 111.053 173.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . . . -57.43 -53.54 56.98 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.269 -0.572 . . . . 108.01000000000001 110.614 175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . . . -59.09 -43.81 91.86 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.513 -0.475 . . . . 116.84999999999999 111.11 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' ILE . . . . . . . . . . . . . 27.6 mt -59.79 -49.63 83.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.001 0.429 . . . . 110.04000000000001 110.246 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.0 -44.46 98.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 C-N-CA 120.177 -0.609 . . . . 104.8 110.542 -173.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . . . -64.73 -29.51 70.49 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.828 -0.749 . . . . 114.77 111.173 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ARG . . . . . 0.494 ' CZ ' HD21 ' B' ' 135' ' ' LEU . 29.2 tpt180 -60.84 -49.73 76.28 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.288 -0.565 . . . . 121.70999999999999 110.257 169.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.05 -52.28 63.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.108 0.48 . . . . 101.55 110.138 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -50.08 -45.89 52.92 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 122.118 -0.364 . . . . 113.75 111.209 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -54.97 -48.04 73.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.912 -0.315 . . . . 124.45 110.94 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LEU . . . . . 0.494 HD21 ' CZ ' ' B' ' 131' ' ' ARG . 32.6 mt -60.77 -36.43 78.94 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.312 -0.555 . . . . 92.060000000000002 111.082 -178.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' LEU . . . . . 0.47 HD21 ' HE3' ' B' ' 100' ' ' MET . 95.2 mt -68.62 -39.28 80.88 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.006 -0.677 . . . . 103.08 110.839 177.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -56.13 -50.36 71.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.203 -0.599 . . . . 105.61 110.634 171.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.78 -42.38 93.23 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.486 -0.485 . . . . 102.37 110.869 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' SER . . . . . 0.688 ' OG ' ' NE2' ' A' ' 16' ' ' HIS . 33.3 t -58.61 -43.78 89.7 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.924 -0.71 . . . . 101.22 110.804 176.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.75 -38.67 70.13 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.164 -0.614 . . . . 100.40000000000001 110.624 175.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.342 -0.543 . . . . 95.549999999999997 110.792 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' ILE . . . . . . . . . . . . . 15.9 mt -55.87 -55.23 19.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 120.188 -0.605 . . . . 97.549999999999997 109.97 175.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' B' ' 93' ' ' SER . 16.1 m-70 -56.12 -51.38 68.14 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 122.01 -0.432 . . . . 115.2 111.006 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . . . -48.65 -50.29 33.68 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.589 -0.444 . . . . 98.459999999999994 110.465 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.89 -53.11 61.35 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.455 -0.498 . . . . 105.92 110.833 176.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' SER . . . . . 0.882 ' OG ' ' OE1' ' B' ' 90' ' ' GLN . 29.9 t -55.66 -38.81 70.09 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.555 -0.458 . . . . 110.88 111.35 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -62.7 -39.21 93.29 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.154 -0.618 . . . . 119.44 110.994 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -58.5 -51.78 68.42 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.212 -0.595 . . . . 107.66 110.695 176.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.06 -48.46 81.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.113 0.483 . . . . 113.90000000000001 110.36 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.17 90.09 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.478 -0.489 . . . . 117.15000000000001 111.318 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' TYR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 122.125 -0.359 . . . . 52.479999999999997 110.935 -179.635 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.792 0.33 . . . . 151.97 110.406 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . . . -55.34 -43.79 75.3 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.45 -0.5 . . . . 124.18000000000001 110.922 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . . . -65.8 -38.24 88.43 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.303 -0.559 . . . . 121.02 110.794 173.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . . . -56.22 -43.39 78.53 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.259 -0.576 . . . . 126.58 110.504 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . . . -62.1 -40.81 97.11 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.421 -0.512 . . . . 121.02 110.681 171.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . . . -54.12 -44.22 71.14 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.751 -0.38 . . . . 114.43000000000001 110.909 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -57.33 -40.89 78.91 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.168 -0.613 . . . . 108.27 110.747 176.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . . . -60.95 -45.03 99.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.624 -0.43 . . . . 117.17 110.442 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . . . -58.64 -40.91 84.75 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.211 -0.596 . . . . 110.28 111.054 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mt -68.02 -43.94 77.63 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.166 -0.614 . . . . 108.7 111.576 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.06 89.67 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.419 -0.512 . . . . 110.66 110.872 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . . . -61.66 -50.72 71.37 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.462 -0.495 . . . . 109.3 110.614 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -51.91 -50.16 61.62 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.919 0.39 . . . . 113.03 110.699 174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -52.75 53.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.67 0.271 . . . . 137.33000000000001 111.364 178.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . . . -63.38 -42.37 96.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.549 -0.461 . . . . 107.36 110.382 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . . . -56.06 -44.72 79.15 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.312 -0.555 . . . . 108.19 110.927 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 81.6 mt -54.71 -55.08 17.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.992 0.425 . . . . 101.72 110.132 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' MET . . . . . 0.436 ' HE3' HG23 ' C' ' 59' ' ' ILE . 96.9 mmm -54.13 -27.94 36.55 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 122.107 -0.371 . . . . 110.72 111.411 -179.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . . . -66.55 -50.74 62.14 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.425 -0.51 . . . . 115.29000000000001 110.719 173.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' C' ' 26' ' ' LEU . 24.4 tt0 -56.05 -54.21 47.75 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.438 -0.505 . . . . 107.19 110.74 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . . . -55.92 -45.78 80.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.015 0.435 . . . . 100.75 110.508 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . . . -54.96 -50.43 68.95 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 121.942 -0.474 . . . . 106.23 110.917 -178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . . . -56.05 -36.62 68.24 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.287 -0.565 . . . . 112.12 110.968 176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' C' ' 22' ' ' GLU . 4.5 mt -70.4 -30.21 67.04 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.188 -0.605 . . . . 103.33 111.537 -176.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.834 HD22 HD12 ' C' ' 59' ' ' ILE . 4.8 mp -61.64 -47.33 85.9 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.911 -0.716 . . . . 108.33 110.699 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -55.16 -44.1 74.87 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.556 -0.457 . . . . 161.69999999999999 110.942 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.85 -44.67 82.39 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.219 -0.592 . . . . 117.48 110.694 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' MET . . . . . . . . . . . . . . . -58.26 -50.7 72.66 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.649 -0.42 . . . . 123.51000000000001 110.744 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . . . -55.77 -43.79 77.07 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.449 -0.5 . . . . 130.80000000000001 111.064 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . . . -58.82 -47.55 84.41 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.547 -0.461 . . . . 128.13999999999999 110.998 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.404 ' N ' HD23 ' C' ' 33' ' ' LEU . 3.2 mt -66.44 -32.18 73.39 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.991 -0.683 . . . . 127.59 111.469 -175.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.743 HD21 ' CG2' ' C' ' 48' ' ' ILE . 4.7 mp -64.28 -47.14 80.65 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.336 -0.546 . . . . 132.86000000000001 110.886 175.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -57.84 -37.69 74.31 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.1 -0.64 . . . . 137.59 110.569 174.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . . . -69.99 -43.97 70.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.616 -0.434 . . . . 140.09 111.421 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.6 144.81 32.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.286 0.565 . . . . 156.59 111.569 -168.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -138.17 42.13 2.24 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.386 -0.825 . . . . 196.80000000000001 109.781 177.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.56 12.2 39.19 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 115.341 0.896 . . . . 154.80000000000001 115.341 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.32 155.66 46.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.693 1.246 . . . . 147.96000000000001 109.13 -178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . . . -62.66 156.07 24.52 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.188 0.994 . . . . 145.91 110.819 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -54.14 -38.82 65.9 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.126 -0.943 . . . . 136.49000000000001 111.233 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ASP . . . . . . . . . . . . . . . -56.73 -53.54 56.53 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.454 -0.498 . . . . 138.68000000000001 110.797 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -58.3 -66.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 109.778 -0.452 . . . . 133.21000000000001 109.778 -178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.88 -49.81 65.1 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.867 0.365 . . . . 128.55000000000001 111.111 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.32 -43.74 83.57 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.058 -0.657 . . . . 132.28 110.767 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' THR . . . . . . . . . . . . . 99.0 m -58.23 -45.4 87.8 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.215 -0.594 . . . . 128.05000000000001 110.812 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.743 ' CG2' HD21 ' C' ' 34' ' ' LEU . 97.6 mt -59.42 -52.45 60.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 120.052 -0.659 . . . . 118.98 110.018 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . . . -47.95 -41.03 23.88 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.643 -0.423 . . . . 123.42 110.801 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.62 -52.37 64.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.683 -0.407 . . . . 140.80000000000001 110.652 171.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.01 -46.38 85.35 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.721 0.296 . . . . 112.44 111.209 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.35 -46.34 80.58 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.465 -0.494 . . . . 116.63 111.083 -175.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . . . -55.19 -50.63 68.88 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.42 -0.512 . . . . 108.87 110.49 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ARG . . . . . . . . . . . . . . . -59.63 -47.52 85.28 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.473 -0.491 . . . . 106.66 110.78 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . . . -58.33 -51.98 67.54 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.412 -0.515 . . . . 100.61 110.719 178.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.89 -47.59 64.48 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.825 -0.35 . . . . 102.09999999999999 110.835 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' GLU . . . . . . . . . . . . . . . -56.02 -46.12 78.92 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.405 -0.518 . . . . 106.52 110.581 174.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.81 -41.15 87.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.421 -0.512 . . . . 97.219999999999999 110.46 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.834 HD12 HD22 ' C' ' 27' ' ' LEU . 53.2 mt -54.25 -56.2 10.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.597 0.713 . . . . 102.56 109.982 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.9 -42.56 65.46 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.279 -0.419 . . . . 107.18000000000001 110.96 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ARG . . . . . . . . . . . . . . . -54.9 -61.33 2.38 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.391 -0.524 . . . . 101.92 110.483 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -57.92 -43.0 85.96 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.209 -0.596 . . . . 99.510000000000005 111.143 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' GLN . . . . . . . . . . . . . . . -53.07 -49.94 65.36 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.462 -0.495 . . . . 102.84999999999999 110.498 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.84 -40.91 85.62 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.372 -0.531 . . . . 104.72 110.84 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 10.7 mt -60.61 -45.89 96.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 120.375 -0.53 . . . . 105.93000000000001 110.076 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -41.19 82.28 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.504 -0.478 . . . . 108.95 110.838 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . . . -57.06 -51.14 70.48 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.458 -0.497 . . . . 113.62 110.509 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' GLU . . . . . . . . . . . . . . . -55.31 -44.11 75.49 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.588 -0.445 . . . . 108.73999999999999 110.976 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.28 -48.63 80.92 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.101 -0.639 . . . . 117.04000000000001 110.786 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . . . -45.37 -50.12 12.5 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.009 0.433 . . . . 117.94 110.483 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -62.47 -57.64 10.48 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.268 -0.573 . . . . 167.99000000000001 110.707 175.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . . . -53.45 -48.17 57.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.168 0.508 . . . . 118.28 110.352 -175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.31 91.07 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.278 -0.569 . . . . 125.84 110.78 176.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ARG . . . . . . . . . . . . . . . -57.26 -42.55 81.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.581 -0.448 . . . . 124.88 110.958 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.293 0.568 . . . . 157.71000000000001 109.65 178.059 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 81' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.891 0.377 . . . . 118.67 110.201 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 82' ' ' LEU . . . . . . . . . . . . . . . -56.22 -46.48 79.49 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.948 -0.569 . . . . 117.64 110.997 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . . . -62.67 -37.58 86.97 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.248 -0.581 . . . . 123.68000000000001 110.933 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 84' ' ' GLU . . . . . . . . . . . . . . . -58.05 -50.83 72.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.436 -0.506 . . . . 118.41 110.701 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' ARG . . . . . . . . . . . . . . . -60.2 -42.8 95.88 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.313 -0.555 . . . . 120.51000000000001 110.872 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -56.95 -47.22 81.22 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.616 -0.434 . . . . 118.34 110.724 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 87' ' ' ARG . . . . . . . . . . . . . . . -57.01 -47.0 81.91 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.595 -0.442 . . . . 116.45 110.791 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 88' ' ' ARG . . . . . . . . . . . . . . . -57.15 -47.62 80.73 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.554 -0.458 . . . . 118.86 110.739 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . . . . -58.76 -44.33 90.58 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.552 -0.459 . . . . 123.56 111.309 177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 90' ' ' GLN . . . . . . . . . . . . . . . -62.21 -52.21 64.7 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.691 -0.404 . . . . 111.01000000000001 111.061 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 91' ' ' GLU . . . . . . . . . . . . . . . -57.9 -48.07 80.95 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.31 -0.556 . . . . 102.69 110.725 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 92' ' ' GLU . . . . . . . . . . . . . . . -62.78 -41.45 99.26 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.352 -0.539 . . . . 109.39 111.037 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 20.9 t -62.43 -45.25 93.96 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.148 -0.621 . . . . 105.39 110.944 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 94' ' ' LYS . . . . . . . . . . . . . . . -55.98 -44.8 78.91 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.398 -0.521 . . . . 108.88 111.093 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -57.22 -44.9 84.18 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.411 -0.515 . . . . 104.36 110.849 173.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . . . -55.16 -49.91 70.65 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.688 0.28 . . . . 108.84 110.877 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.51 -43.03 93.51 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.086 -0.646 . . . . 109.25 111.186 -176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 98' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -55.11 -42.54 73.06 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.3 -0.56 . . . . 125.31 110.945 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.99 -46.98 87.68 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.618 -0.433 . . . . 113.69 110.79 178.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 100' ' ' MET . . . . . 0.462 ' CE ' HD21 ' D' ' 136' ' ' LEU . 6.8 mtm -61.66 -46.8 88.2 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.587 -0.445 . . . . 118.17 110.887 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.57 -42.18 70.71 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.595 -0.442 . . . . 108.20999999999999 111.135 178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' GLU . . . . . . . . . . . . . . . -61.16 -43.28 99.13 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.246 -0.582 . . . . 110.39 110.789 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' ILE . . . . . . . . . . . . . 57.7 mt -57.81 -49.58 80.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.237 -0.585 . . . . 111.41 109.999 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' MET . . . . . . . . . . . . . 80.1 mmm -56.23 -43.56 78.72 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.997 -0.439 . . . . 98.489999999999995 111.224 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' ARG . . . . . . . . . . . . . . . -60.66 -44.6 96.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.375 -0.53 . . . . 104.73999999999999 110.602 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' ARG . . . . . . . . . . . . . . . -61.4 -41.91 97.89 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.593 -0.443 . . . . 111.09999999999999 110.854 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.78 -46.1 97.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.438 -0.505 . . . . 107.03 110.075 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' LYS . . . . . . . . . . . . . . . -53.94 -45.38 71.25 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.994 -0.441 . . . . 108.65000000000001 110.777 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' LYS . . . . . . . . . . . . . . . -58.5 -47.88 82.64 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.431 -0.508 . . . . 114.42 110.56 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 110' ' ' LEU . . . . . . . . . . . . . . . -63.46 -40.9 98.35 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.296 -0.562 . . . . 120.77 111.122 178.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.71 -46.8 86.49 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.447 -0.501 . . . . 121.92 110.862 177.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.98 -42.29 89.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.43 -0.508 . . . . 127.98999999999999 110.963 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 113' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 O-C-N 122.079 -0.388 . . . . 126.92 110.136 178.69 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.653 0.263 . . . . 137.22999999999999 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 120' ' ' LYS . . . . . . . . . . . . . . . -67.65 -47.14 70.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.322 -0.551 . . . . 139.34999999999999 110.797 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 121' ' ' VAL . . . . . . . . . . . . . . . -61.24 -42.18 92.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 120.548 -0.461 . . . . 116.7 110.32 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . . . -58.81 -47.17 85.73 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.858 -0.526 . . . . 119.55 110.776 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 123' ' ' ASP . . . . . . . . . . . . . . . -58.43 -43.3 88.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.43 -0.508 . . . . 125.64 110.974 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.18 -49.49 77.66 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.465 -0.494 . . . . 123.01000000000001 110.833 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 125' ' ' LEU . . . . . . . . . . . . . . . -56.89 -48.61 77.78 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.584 -0.446 . . . . 115.63 110.934 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -54.21 -46.75 72.56 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 122.231 -0.293 . . . . 116.05 111.04 176.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 127' ' ' LYS . . . . . . . . . . . . . . . -60.51 -46.55 89.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.401 -0.52 . . . . 116.58 110.679 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' ILE . . . . . . . . . . . . . . . -57.07 -45.21 84.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 CA-C-O 121.152 0.501 . . . . 109.43000000000001 110.229 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.48 -49.84 82.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.446 -0.502 . . . . 105.37 110.227 -179.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 130' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -59.5 -36.99 77.11 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.077 -0.649 . . . . 132.25 111.129 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -57.61 -46.23 84.35 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.386 -0.526 . . . . 122.73 110.398 170.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 132' ' ' ILE . . . . . . . . . . . . . 20.6 mt -60.83 -49.64 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-O 121.106 0.479 . . . . 101.81 110.328 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . . . -58.56 -41.51 85.8 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.221 -0.591 . . . . 101.05 111.147 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.83 -43.25 94.65 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.004 -0.678 . . . . 97.920000000000002 110.72 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . . . -60.45 -42.83 96.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.331 -0.548 . . . . 98.819999999999993 111.149 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 136' ' ' LEU . . . . . 0.462 HD21 ' CE ' ' D' ' 100' ' ' MET . 72.2 mt -65.23 -40.38 94.0 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.35 -0.54 . . . . 98.0 111.263 -178.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 137' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -55.34 -45.79 76.41 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.127 -0.629 . . . . 109.06 110.618 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 138' ' ' ARG . . . . . . . . . . . . . . . -57.9 -48.44 79.88 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.559 -0.456 . . . . 106.67 110.759 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 139' ' ' SER . . . . . . . . . . . . . 21.7 t -58.55 -44.92 89.83 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.403 -0.519 . . . . 102.91 110.971 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 140' ' ' ARG . . . . . . . . . . . . . . . -55.45 -43.27 75.27 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.478 -0.489 . . . . 101.41 111.034 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 141' ' ' LYS . . . . . . . . . . . . . . . -63.33 -38.49 91.34 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.526 -0.47 . . . . 101.86 111.065 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 142' ' ' ILE . . . . . . . . . . . . . 82.2 mt -53.46 -51.29 43.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.367 0.603 . . . . 102.03 109.982 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 143' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -60.78 -37.53 82.21 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.094 -0.379 . . . . 104.66 111.104 -175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 144' ' ' GLU . . . . . . . . . . . . . . . -57.7 -49.38 76.73 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.004 -0.678 . . . . 115.59 110.34 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . . . -59.87 -48.8 80.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.769 -0.373 . . . . 110.92 110.831 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 146' ' ' SER . . . . . . . . . . . . . . . -59.12 -45.45 90.89 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.474 -0.49 . . . . 119.92 111.101 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.01 -41.91 79.37 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.161 -0.616 . . . . 118.34999999999999 110.761 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . . . -53.97 -51.37 64.11 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.583 -0.447 . . . . 119.22 110.932 174.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 149' ' ' ILE . . . . . . . . . . . . . 61.1 mt -55.93 -55.85 15.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.195 0.521 . . . . 127.58 110.198 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.75 73.65 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.122 -0.361 . . . . 122.5 111.336 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 151' ' ' TYR . . . . . . . . . . . . . . . -63.97 -45.49 88.88 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.127 -0.629 . . . . 132.72999999999999 110.71 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 152' ' ' LYS . . . . . . . . . . . . . . . -66.66 -36.62 82.99 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 127.81 111.447 -176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 0 O-C-N 122.116 -0.365 . . . . 133.28999999999999 111.403 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.776 0.322 . . . . 128.46000000000001 110.275 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' E' ' 8' ' ' GLU . . . -64.74 -40.53 95.47 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.332 -0.547 . . . . 140.25999999999999 111.008 178.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . . . -60.98 -49.42 77.51 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.579 -0.448 . . . . 126.26000000000001 110.729 178.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.43 ' O ' HG13 ' E' ' 10' ' ' ILE . . . -49.06 -62.25 1.63 Allowed 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.78 -0.368 . . . . 129.71000000000001 110.059 168.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' ARG . . . . . . . . . . . . . . . -46.23 -44.41 16.24 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.632 -0.258 . . . . 128.68000000000001 111.241 173.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' E' ' 4' ' ' GLU . . . -56.83 -45.22 82.48 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.183 -0.607 . . . . 126.7 110.894 172.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' ASN . . . . . . . . . . . . . . . -60.99 -44.73 96.97 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.607 -0.437 . . . . 128.25 111.222 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.43 HG13 ' O ' ' E' ' 6' ' ' LEU . 33.3 mt -57.77 -52.42 57.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.091 -0.644 . . . . 134.88999999999999 110.13 -179.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . . . -54.76 -46.69 74.38 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.949 -0.47 . . . . 138.16 111.024 -179.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . . . -60.99 -45.37 95.07 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.208 -0.597 . . . . 136.03 111.265 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.64 96.51 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.597 -0.441 . . . . 140.37 111.037 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' LYS . . . . . . . . . . . . . . . -56.22 -48.31 76.72 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.545 -0.462 . . . . 137.72 110.83 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -57.53 -48.86 78.16 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.569 -0.452 . . . . 133.62 110.942 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' HIS . . . . . . . . . . . . . . . -56.43 -47.6 78.75 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.759 -0.376 . . . . 143.68000000000001 111.173 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.27 -43.8 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.036 -0.666 . . . . 143.72 110.092 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' GLU . . . . . . . . . . . . . . . -59.6 -50.0 75.56 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 122.053 -0.404 . . . . 138.55000000000001 110.992 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 40.0 mt -56.38 -49.19 78.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 120.077 -0.649 . . . . 134.22 110.04 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' MET . . . . . . . . . . . . . . . -51.78 -47.06 64.35 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 122.055 -0.403 . . . . 130.66 110.973 -177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' ARG . . . . . . . . . . . . . . . -59.59 -43.32 93.71 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.032 -0.667 . . . . 126.86 110.797 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . . . -61.06 -46.57 90.11 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.676 -0.41 . . . . 125.77 110.811 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' ILE . . . . . . . . . . . . . . . -59.4 -49.61 82.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.069 0.462 . . . . 118.23 110.344 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . 0.477 ' HB2' HG21 ' E' ' 59' ' ' ILE . . . -58.29 -36.2 72.96 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.139 -0.625 . . . . 113.78 110.897 178.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' GLU . . . . . . . . . . . . . . . -59.39 -48.28 82.25 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.564 -0.454 . . . . 114.65000000000001 110.727 176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -62.11 -49.34 76.32 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.979 -0.688 . . . . 115.81999999999999 110.648 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' LEU . . . . . . . . . . . . . . . -53.14 -47.81 68.43 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.48 -0.488 . . . . 109.64 110.81 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . . . -52.3 -45.15 65.41 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.427 -0.509 . . . . 109.70999999999999 110.773 171.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' LYS . . . . . . . . . . . . . . . -61.36 -43.22 99.24 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.564 -0.455 . . . . 118.55 110.882 174.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' MET . . . . . . . . . . . . . 37.7 mtp -61.14 -44.33 97.49 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.264 -0.574 . . . . 146.12 110.993 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' GLU . . . . . . . . . . . . . . . -57.86 -46.64 84.54 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.493 -0.483 . . . . 126.02 110.844 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' GLU . . . . . . . . . . . . . . . -60.73 -46.71 89.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.523 -0.471 . . . . 120.22 110.883 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . . . -60.55 -45.15 94.95 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.47 -0.492 . . . . 131.24000000000001 111.312 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . . . -60.19 -42.81 95.85 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.377 -0.529 . . . . 125.11 110.955 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . . . -61.69 -45.43 94.03 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.376 -0.53 . . . . 127.81 111.22 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' LYS . . . . . . . . . . . . . . . -58.59 -47.88 82.82 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.544 -0.462 . . . . 128.75999999999999 110.713 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.947 0.403 . . . . 138.78 109.992 177.127 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.893 0.378 . . . . 143.13999999999999 110.39 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' ASP . . . . . . . . . . . . . . . -58.91 -51.47 69.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.327 -0.549 . . . . 118.15000000000001 110.678 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' VAL . . . . . 0.824 HG11 ' HB2' ' F' ' 114' ' ' ALA . 65.8 t -60.79 -53.53 47.8 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.087 0.47 . . . . 128.18000000000001 110.246 178.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -43.96 48.65 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.018 -0.426 . . . . 114.09999999999999 111.042 178.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' LYS . . . . . . . . . . . . . . . -59.66 -44.58 93.52 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.267 -0.573 . . . . 102.26000000000001 110.871 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' THR . . . . . . . . . . . . . 99.1 m -59.59 -49.68 76.8 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.614 -0.434 . . . . 113.62 111.013 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 27.2 mt -55.45 -45.97 78.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 101.81999999999999 110.078 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' LYS . . . . . . . . . . . . . . . -58.53 -38.23 77.3 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.457 -0.497 . . . . 113.56 110.708 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' GLU . . . . . . . . . . . . . . . -61.32 -49.06 78.51 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.484 -0.486 . . . . 116.03 110.648 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' LEU . . . . . . . . . . . . . . . -58.08 -45.34 87.31 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.379 -0.529 . . . . 108.52 111.062 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' LEU . . . . . . . . . . . . . . . -57.51 -49.0 77.73 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.511 -0.475 . . . . 106.76000000000001 110.918 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' ARG . . . . . . . . . . . . . . . -57.81 -42.11 83.55 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.346 -0.542 . . . . 110.81999999999999 110.865 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' ARG . . . . . . . . . . . . . . . -58.89 -51.48 69.83 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.456 -0.498 . . . . 109.28 110.603 174.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . . . -53.0 -53.01 56.31 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 106.28 111.04 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' LYS . . . . . . . . . . . . . . . -51.97 -45.41 64.42 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.565 -0.454 . . . . 109.88 111.142 179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 57' ' ' GLU . . . . . . . . . . . . . . . -59.54 -51.03 71.6 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.679 -0.408 . . . . 109.8 110.696 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mt -53.59 -51.85 38.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.235 0.541 . . . . 112.45 109.644 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 59' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' E' ' 24' ' ' LEU . 60.2 mt -51.47 -42.85 29.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 121.0 0.428 . . . . 113.87 110.551 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 60' ' ' GLU . . . . . . . . . . . . . . . -62.36 -47.49 83.94 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.398 -0.521 . . . . 115.39 110.738 176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 61' ' ' ARG . . . . . . . . . . . . . . . -59.4 -42.54 92.0 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.519 -0.473 . . . . 111.44 111.048 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 62' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -63.99 -44.35 92.93 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.17 -0.612 . . . . 109.40000000000001 111.125 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 63' ' ' GLN . . . . . . . . . . . . . . . -54.58 -49.84 69.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.579 -0.448 . . . . 112.05 110.923 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 64' ' ' ARG . . . . . . . . . . . . . . . -55.17 -47.31 75.35 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.38 -0.528 . . . . 105.33 110.484 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' ILE . . . . . . . . . . . . . . . -54.65 -51.05 54.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.067 0.46 . . . . 104.28 110.227 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.24 86.49 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.436 -0.505 . . . . 108.14 110.727 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 67' ' ' LYS . . . . . . . . . . . . . . . -59.29 -46.15 89.33 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.295 -0.562 . . . . 113.92 111.015 176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 68' ' ' GLU . . . . . . . . . . . . . . . -58.51 -46.13 87.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.534 -0.466 . . . . 111.95999999999999 110.796 176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . . . -49.98 -44.75 51.08 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.557 -0.457 . . . . 116.76000000000001 111.108 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 70' ' ' GLU . . . . . . . . . . . . . . . -59.29 -40.04 84.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.55 -0.46 . . . . 122.17 111.115 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.12 -44.15 92.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.57 . . . . 121.83 110.798 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . . . -60.32 -45.44 96.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.344 -0.543 . . . . 120.43000000000001 110.266 175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.94 88.33 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 122.018 -0.426 . . . . 128.59999999999999 110.854 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 74' ' ' ARG . . . . . . . . . . . . . . . -56.87 -48.64 77.65 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.625 -0.43 . . . . 130.99000000000001 110.781 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 75' ' ' GLU . . . . . . . . . . . . . . . -58.22 -45.01 88.45 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.412 -0.515 . . . . 129.27000000000001 111.139 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 76' ' ' ARG . . . . . . . . . . . . . . . -61.71 -46.57 89.1 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.562 -0.455 . . . . 128.59999999999999 110.819 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 77' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.091 0.472 . . . . 123.58 110.836 179.742 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 82' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.687 0.279 . . . . 117.76000000000001 111.132 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 83' ' ' LEU . . . . . . . . . . . . . . . -58.9 -41.56 87.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.261 -0.576 . . . . 119.55 110.961 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 84' ' ' GLU . . . . . . . . . . . . . . . -61.42 -39.7 91.73 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.415 -0.514 . . . . 125.56 110.913 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 85' ' ' ARG . . . . . . . . . . . . . . . -59.59 -49.35 78.09 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.542 -0.463 . . . . 124.7 110.68 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 86' ' ' SER . . . . . . . . . . . . . . . -56.18 -51.2 68.87 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.522 -0.471 . . . . 119.3 110.742 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 87' ' ' ARG . . . . . . . . . . . . . . . -62.86 -39.23 93.76 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.47 -0.492 . . . . 122.58 111.14 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 88' ' ' ARG . . . . . . . . . . . . . . . -56.27 -50.05 72.48 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.491 -0.484 . . . . 113.55 110.822 178.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.08 -44.64 91.92 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.375 -0.53 . . . . 109.06999999999999 111.137 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 90' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -56.05 -45.69 79.17 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.636 -0.426 . . . . 112.69 110.929 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 91' ' ' GLU . . . . . . . . . . . . . . . -53.94 -40.64 66.95 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.803 -0.359 . . . . 114.41 111.162 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 92' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.99 -41.64 99.62 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.639 -0.824 . . . . 130.91 110.769 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 93' ' ' SER . . . . . . . . . . . . . 39.3 t -59.1 -44.2 91.93 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.637 -0.425 . . . . 111.98 111.19 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 94' ' ' LYS . . . . . . . . . . . . . . . -62.0 -45.98 91.22 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.661 -0.415 . . . . 101.01000000000001 110.841 176.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . . . -54.27 -45.16 72.39 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.53 -0.468 . . . . 102.34999999999999 110.814 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 96' ' ' LEU . . . . . . . . . . . . . . . -58.51 -47.06 85.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.67 -0.412 . . . . 108.79000000000001 110.718 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . . . -57.82 -45.76 85.69 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.543 -0.463 . . . . 113.12 111.146 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 98' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -56.25 -44.28 79.5 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.163 -0.615 . . . . 128.22 110.89 173.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 99' ' ' GLU . . . . . . . . . . . . . . . -59.23 -45.85 90.05 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.515 -0.474 . . . . 110.75 110.675 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 100' ' ' MET . . . . . . . . . . . . . 55.0 mtp -56.64 -56.62 19.08 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.957 0.408 . . . . 114.67 110.907 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.1 86.37 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.555 -0.458 . . . . 114.73 111.236 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' GLU . . . . . . . . . . . . . . . -59.17 -44.74 92.15 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.2 -0.6 . . . . 107.31999999999999 110.87 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.12 -50.93 74.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.078 0.465 . . . . 108.16 110.004 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' MET . . . . . . . . . . . . . 48.4 mmm -53.63 -47.47 70.26 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 122.1 -0.375 . . . . 113.42 111.022 -177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' ARG . . . . . . . . . . . . . . . -55.16 -48.99 72.96 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.265 -0.574 . . . . 108.66 110.56 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' ARG . . . . . . . . . . . . . . . -57.24 -49.89 74.6 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.775 -0.37 . . . . 110.68000000000001 110.784 178.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' ILE . . . . . . . . . . . . . . . -55.53 -41.35 63.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.477 -0.489 . . . . 105.73 110.308 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' LYS . . . . . . . . . . . . . . . -58.3 -47.53 83.39 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.911 -0.493 . . . . 116.64 110.714 176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' LYS . . . . . . . . . . . . . . . -57.6 -54.57 45.42 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.653 -0.419 . . . . 121.65000000000001 111.105 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.46 -38.1 79.88 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.558 -0.457 . . . . 127.56 111.183 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 111' ' ' LEU . . . . . . . . . . . . . . . -56.02 -49.81 72.65 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.587 -0.445 . . . . 142.16999999999999 110.822 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 112' ' ' LYS . . . . . . . . . . . . . . . -56.29 -52.13 65.64 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.595 -0.442 . . . . 140.24000000000001 110.861 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 113' ' ' LYS . . . . . . . . . . . . . . . -59.96 -42.54 94.33 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.383 -0.527 . . . . 158.93000000000001 111.088 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 114' ' ' ALA . . . . . 0.824 ' HB2' HG11 ' E' ' 44' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.887 0.375 . . . . 166.78 110.318 -177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 118' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.687 0.28 . . . . 216.69 110.468 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 119' ' ' GLU . . . . . . . . . . . . . . . -59.71 -40.69 88.79 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 116.205 -0.452 . . . . 168.34999999999999 111.421 -174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 120' ' ' LYS . . . . . . . . . . . . . . . -54.65 -53.76 50.59 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.347 -0.541 . . . . 142.12 110.681 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 121' ' ' VAL . . . . . . . . . . . . . . . -58.25 -49.79 80.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.088 0.471 . . . . 136.34999999999999 110.403 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 122' ' ' LEU . . . . . . . . . . . . . . . -56.02 -54.41 45.23 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.006 -0.434 . . . . 139.91 111.035 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 123' ' ' ASP . . . . . . . . . . . . . . . -56.26 -42.13 76.9 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.18 -0.608 . . . . 121.04000000000001 110.763 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 124' ' ' GLU . . . . . . . . . . . . . . . -56.94 -46.47 82.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.53 -0.468 . . . . 118.68000000000001 110.727 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.13 -47.12 87.23 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.292 -0.563 . . . . 114.09 111.135 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 126' ' ' ARG . . . . . . . . . . . . . . . -54.74 -44.25 73.38 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.677 -0.409 . . . . 119.31999999999999 111.001 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 127' ' ' LYS . . . . . . . . . . . . . . . -61.4 -42.47 98.78 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.153 -0.619 . . . . 111.83 110.742 177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 128' ' ' ILE . . . . . . . . . . . . . . . -59.78 -53.02 54.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.175 0.512 . . . . 104.83 110.052 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 129' ' ' ILE . . . . . . . . . . . . . . . -55.94 -42.95 73.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 O-C-N 121.92 -0.487 . . . . 98.469999999999999 110.308 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -60.04 -46.65 88.81 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 121.858 -0.526 . . . . 112.13 110.819 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 131' ' ' ARG . . . . . . . . . . . . . . . -59.22 -42.33 90.73 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.348 -0.541 . . . . 113.26000000000001 110.778 175.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 132' ' ' ILE . . . . . . . . . . . . . 95.9 mt -59.99 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.201 0.524 . . . . 108.34999999999999 110.064 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . . . -54.32 -42.65 70.41 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.034 -0.416 . . . . 115.05 110.994 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 134' ' ' GLU . . . . . . . . . . . . . . . -60.05 -50.48 73.55 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.539 -0.464 . . . . 115.0 110.785 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . . . -57.68 -44.5 85.82 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.441 -0.504 . . . . 112.86 111.074 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 136' ' ' LEU . . . . . . . . . . . . . . . -58.89 -47.61 84.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.449 -0.501 . . . . 114.47 110.902 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 137' ' ' ASP . . . . . . . . . . . . . . . -57.58 -42.34 82.95 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.431 -0.508 . . . . 112.51000000000001 111.075 178.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 138' ' ' ARG . . . . . . . . . . . . . . . -59.07 -45.66 90.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.288 -0.565 . . . . 118.39 110.94 176.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 139' ' ' SER . . . . . . . . . . . . . . . -57.69 -46.97 83.6 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.768 -0.373 . . . . 111.63 110.855 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 140' ' ' ARG . . . . . . . . . . . . . . . -53.22 -49.7 66.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.804 -0.358 . . . . 114.56 111.08 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 141' ' ' LYS . . . . . . . . . . . . . . . -58.06 -44.79 87.68 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.387 -0.525 . . . . 112.29000000000001 111.082 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 142' ' ' ILE . . . . . . . . . . . . . . . -57.13 -42.35 79.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.623 -0.431 . . . . 112.56999999999999 110.418 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -61.17 -36.94 81.17 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.169 -0.612 . . . . 123.64 111.124 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 144' ' ' GLU . . . . . . . . . . . . . . . -62.97 -47.62 82.37 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.362 -0.535 . . . . 121.8 110.828 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 145' ' ' ARG . . . . . . . . . . . . . . . -55.89 -39.29 71.36 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.487 -0.485 . . . . 125.73 110.982 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 146' ' ' SER . . . . . . . . . . . . . 58.8 m -59.73 -33.4 71.59 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.359 -0.536 . . . . 150.19999999999999 111.112 172.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 147' ' ' GLU . . . . . . . . . . . . . . . -57.64 -45.86 84.91 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.078 -0.649 . . . . 135.59 110.713 171.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 148' ' ' GLU . . . . . . . . . . . . . . . -58.84 -41.5 87.07 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.565 -0.454 . . . . 139.88 110.846 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 149' ' ' ILE . . . . . . . . . . . . . . . -57.34 -45.74 85.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-O 121.176 0.512 . . . . 137.13 110.127 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 150' ' ' ALA . . . . . . . . . . . . . . . -58.08 -50.26 74.07 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.959 -0.463 . . . . 145.68000000000001 110.807 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 151' ' ' TYR . . . . . . . . . . . . . . . -59.31 -46.81 87.55 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.656 -0.418 . . . . 151.16999999999999 110.9 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 152' ' ' LYS . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.394 -0.522 . . . . 155.91 111.034 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 153' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.905 0.383 . . . . 54.740000000000002 110.592 178.689 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.607 0.241 . . . . 125.73999999999999 110.415 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . . . -60.01 -40.52 89.56 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.993 -0.683 . . . . 152.72 110.669 172.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . . . -52.89 -33.39 49.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.701 -0.4 . . . . 132.75 111.087 170.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 5' ' ' LEU . . . . . . . . . . . . . . . -61.06 -47.42 86.45 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.579 -0.449 . . . . 125.31999999999999 110.742 175.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . . . -59.1 -48.91 79.87 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.573 -0.451 . . . . 124.54000000000001 110.848 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 7' ' ' ARG . . . . . . . . . . . . . . . -57.66 -43.74 85.19 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.377 -0.529 . . . . 122.41 111.117 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 8' ' ' GLU . . . . . . . . . . . . . . . -66.24 -36.49 83.17 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.416 -0.514 . . . . 135.08000000000001 111.211 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 9' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -61.38 -50.51 72.6 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.306 -0.558 . . . . 126.34 110.746 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . . . -54.76 -41.11 54.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-O 121.13 0.49 . . . . 125.58 110.132 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . . . -61.02 -44.92 96.7 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.297 -0.561 . . . . 126.44 111.09 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 12' ' ' LEU . . . . . . . . . . . . . . . -57.89 -49.84 75.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.79 -0.364 . . . . 123.0 111.031 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.93 93.24 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.455 -0.498 . . . . 115.73999999999999 111.044 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 14' ' ' LYS . . . . . . . . . . . . . . . -58.96 -47.08 86.37 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.598 -0.441 . . . . 120.58 110.687 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 15' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -57.52 -44.93 85.44 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.308 -0.557 . . . . 122.33 111.103 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 16' ' ' HIS . . . . . 0.476 ' O ' ' HG2' ' G' ' 20' ' ' MET . 3.3 t-80 -53.75 -54.69 34.63 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.537 -0.465 . . . . 133.78999999999999 110.392 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 17' ' ' ILE . . . . . . . . . . . . . 88.2 mt -48.84 -55.94 2.92 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-O 121.436 0.636 . . . . 108.34 110.013 175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 18' ' ' GLU . . . . . . . . . . . . . . . -51.23 -48.08 62.19 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.331 -0.395 . . . . 114.76000000000001 111.063 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 19' ' ' ILE . . . . . . . . . . . . . . . -59.45 -49.84 82.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.232 -0.587 . . . . 114.81999999999999 109.965 174.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 20' ' ' MET . . . . . 0.747 ' CE ' HG23 ' G' ' 59' ' ' ILE . 36.2 mmm -59.0 -41.25 87.22 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.388 -0.525 . . . . 113.93000000000001 111.082 -178.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' ARG . . . . . . . . . . . . . . . -60.49 -46.98 88.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.425 -0.51 . . . . 114.20999999999999 110.784 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -56.65 -43.46 80.34 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.078 -0.649 . . . . 140.41 110.854 179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -59.84 -43.84 92.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 119.963 -0.695 . . . . 114.23 110.001 179.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' LEU . . . . . . . . . . . . . . . -50.79 -50.75 55.4 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 122.043 -0.41 . . . . 109.25 110.763 -179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' GLU . . . . . . . . . . . . . . . -60.19 -45.0 94.63 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.154 -0.619 . . . . 112.81 110.745 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . . . -54.83 -53.02 60.66 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.598 -0.441 . . . . 113.78 110.715 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' LEU . . . . . . . . . . . . . . . -57.57 -42.71 83.59 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.337 -0.545 . . . . 117.67 110.916 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' GLN . . . . . . . . . . . . . . . -55.43 -49.75 71.61 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.456 -0.497 . . . . 115.98 110.74 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' LYS . . . . . . . . . . . . . . . -56.83 -42.91 80.46 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.476 -0.49 . . . . 123.89 110.888 174.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' MET . . . . . 0.435 ' CG ' HG21 ' H' ' 128' ' ' ILE . 73.6 mtp -59.12 -49.26 78.55 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.487 -0.485 . . . . 124.58 111.1 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' GLU . . . . . . . . . . . . . . . -54.58 -46.48 73.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.824 -0.35 . . . . 121.54000000000001 110.991 -176.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 32' ' ' GLU . . . . . . . . . . . . . . . -59.59 -49.68 76.81 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.529 -0.468 . . . . 127.42 110.751 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . . . -56.99 -46.44 82.24 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.716 -0.394 . . . . 123.17 110.973 178.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . . . -56.64 -50.38 72.21 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.626 -0.43 . . . . 138.27000000000001 111.152 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' GLU . . . . . . . . . . . . . . . -57.31 -42.93 82.76 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.604 -0.438 . . . . 131.87 111.189 -176.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' LYS . . . . . . . . . . . . . . . -57.9 -43.05 85.91 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.22 -0.592 . . . . 130.28 111.021 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 O-C-N 122.16 -0.337 . . . . 126.33 110.56 179.26 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 42' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.698 0.285 . . . . 152.49000000000001 110.867 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 43' ' ' ASP . . . . . . . . . . . . . . . -59.97 -43.3 95.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.341 -0.544 . . . . 147.56 111.119 -178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 44' ' ' VAL . . . . . . . . . . . . . . . -56.9 -48.76 80.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.154 0.502 . . . . 140.13 110.109 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.6 75.5 Favored 'General case' 0 C--O 1.237 0.442 0 O-C-N 121.939 -0.475 . . . . 138.28 110.837 174.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 46' ' ' LYS . . . . . . . . . . . . . . . -57.41 -47.78 80.82 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.871 -0.331 . . . . 138.12 110.942 179.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 47' ' ' THR . . . . . . . . . . . . . . . -56.93 -47.34 80.86 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.408 -0.517 . . . . 133.28999999999999 110.651 177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . . . -58.91 -46.91 91.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.146 0.498 . . . . 127.76000000000001 110.145 177.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 49' ' ' LYS . . . . . . . . . . . . . . . -57.77 -51.88 67.76 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.669 -0.413 . . . . 131.12 110.948 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 50' ' ' GLU . . . . . . . . . . . . . . . -56.86 -45.78 82.23 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.36 -0.536 . . . . 132.78 111.089 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 51' ' ' LEU . . . . . . . . . . . . . . . -56.95 -45.47 82.8 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.509 -0.477 . . . . 123.16 111.165 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 52' ' ' LEU . . . . . . . . . . . . . . . -60.49 -44.6 95.78 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.724 -0.391 . . . . 123.63 111.394 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 53' ' ' ARG . . . . . . . . . . . . . . . -61.65 -46.89 87.83 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.707 -0.397 . . . . 133.91999999999999 110.868 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 54' ' ' ARG . . . . . . . . . . . . . . . -56.42 -48.22 77.42 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.6 -0.44 . . . . 124.09 110.809 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.31 -50.79 72.22 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.607 -0.437 . . . . 143.25 110.812 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 56' ' ' LYS . . . . . . . . . . . . . . . -50.63 -46.36 58.23 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.817 -0.353 . . . . 115.01000000000001 110.987 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 57' ' ' GLU . . . . . . . . . . . . . . . -60.27 -45.47 93.2 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.401 -0.52 . . . . 117.31999999999999 110.719 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 58' ' ' ILE . . . . . . . . . . . . . . . -63.87 -36.66 77.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 120.969 0.414 . . . . 114.86 110.451 -179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 59' ' ' ILE . . . . . 0.747 HG23 ' CE ' ' G' ' 20' ' ' MET . 59.8 mt -60.66 -53.86 43.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 120.352 -0.539 . . . . 117.48999999999999 109.991 176.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 60' ' ' GLU . . . . . . . . . . . . . . . -52.87 -49.17 66.37 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.1 -0.375 . . . . 120.65000000000001 111.211 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 61' ' ' ARG . . . . . . . . . . . . . . . -68.75 -31.5 70.6 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.647 -0.821 . . . . 140.84 111.089 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 62' ' ' ASN . . . . . . . . . . . . . . . -60.63 -46.96 88.34 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.219 -0.592 . . . . 110.54000000000001 110.5 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 63' ' ' GLN . . . . . . . . . . . . . . . -60.66 -39.9 90.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.431 -0.508 . . . . 115.33 110.744 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 64' ' ' ARG . . . . . . . . . . . . . . . -58.32 -47.56 83.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.518 -0.473 . . . . 117.20999999999999 110.646 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 65' ' ' ILE . . . . . . . . . . . . . . . -57.47 -44.25 84.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 C-N-CA 120.546 -0.461 . . . . 116.65000000000001 110.312 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -49.74 76.46 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 121.907 -0.495 . . . . 121.54000000000001 110.759 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 67' ' ' LYS . . . . . . . . . . . . . . . -58.22 -44.87 88.39 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.5 -0.48 . . . . 121.12 111.056 178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 68' ' ' GLU . . . . . . . . . . . . . . . -59.93 -41.53 91.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 120.506 -0.478 . . . . 120.87 110.9 176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 69' ' ' HIS . . . . . . . . . . . . . . . -57.57 -42.39 82.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.53 -0.468 . . . . 122.52 110.867 173.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 70' ' ' GLU . . . . . . . . . . . . . . . -61.72 -48.43 80.78 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.564 -0.455 . . . . 125.47 110.77 176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 71' ' ' TYR . . . . . . . . . . . . . . . -59.39 -50.95 71.96 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.703 -0.399 . . . . 121.84 110.814 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 72' ' ' ILE . . . . . . . . . . . . . . . -57.38 -46.85 85.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.174 0.511 . . . . 121.0 110.247 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.27 74.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.953 -0.467 . . . . 130.71000000000001 111.162 -178.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 74' ' ' ARG . . . . . . . . . . . . . . . -59.85 -42.98 94.84 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.357 -0.537 . . . . 127.25 111.162 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 75' ' ' GLU . . . . . . . . . . . . . . . -59.19 -52.72 64.47 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.366 -0.534 . . . . 125.5 110.84 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 76' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 122.077 -0.39 . . . . 53.219999999999999 110.842 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 81' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' H' ' 82' ' ' LEU . 15.1 ptpt . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.977 0.418 . . . . 149.65000000000001 109.945 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 82' ' ' LEU . . . . . 0.647 ' N ' ' HG3' ' H' ' 81' ' ' LYS . . . -97.47 -19.19 18.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.577 0.751 . . . . 132.93000000000001 111.629 -176.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 83' ' ' LEU . . . . . . . . . . . . . . . -37.37 -39.04 0.26 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.791 -1.189 . . . . 128.22 107.791 159.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 84' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' H' ' 87' ' ' ARG . . . -59.69 -58.01 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.387 -0.37 . . . . 130.03999999999999 110.8 167.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 85' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' H' ' 82' ' ' LEU . . . -42.08 -44.05 3.47 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.365 0.602 . . . . 128.28 111.493 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 86' ' ' SER . . . . . . . . . . . . . . . -61.74 -39.42 91.5 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.047 -0.661 . . . . 123.29000000000001 110.799 174.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 87' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' H' ' 84' ' ' GLU . . . -61.38 -46.95 88.04 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.875 -0.33 . . . . 127.81 111.101 -178.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 88' ' ' ARG . . . . . . . . . . . . . . . -60.68 -46.76 89.12 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.42 -0.512 . . . . 128.02000000000001 110.601 176.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 89' ' ' LEU . . . . . . . . . . . . . . . -59.39 -48.19 82.57 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.557 -0.457 . . . . 124.89 110.781 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 90' ' ' GLN . . . . . . . . . . . . . . . -57.09 -43.5 82.24 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.468 -0.493 . . . . 121.04000000000001 110.995 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 91' ' ' GLU . . . . . . . . . . . . . . . -58.02 -47.74 82.15 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.363 -0.535 . . . . 125.03 110.69 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 92' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -56.13 -44.66 79.37 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.426 -0.509 . . . . 123.56999999999999 111.105 176.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 93' ' ' SER . . . . . . . . . . . . . . . -53.79 -45.18 70.64 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.566 -0.454 . . . . 121.23999999999999 111.151 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 94' ' ' LYS . . . . . . . . . . . . . . . -56.1 -52.48 64.16 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.673 -0.411 . . . . 118.63 110.842 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 95' ' ' ARG . . . . . . . . . . . . . . . -55.8 -46.44 78.04 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.466 -0.494 . . . . 119.93000000000001 110.785 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 96' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' H' ' 100' ' ' MET . 53.1 mt -57.61 -57.25 13.53 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.939 0.4 . . . . 116.45 110.656 176.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 97' ' ' LEU . . . . . . . . . . . . . . . -49.42 -44.43 45.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.828 -0.349 . . . . 115.86 111.354 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 98' ' ' ASP . . . . . . . . . . . . . . . -61.33 -44.17 97.65 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.265 -0.574 . . . . 121.39 110.884 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 99' ' ' GLU . . . . . . . . . . . . . . . -57.02 -42.7 80.86 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.338 -0.545 . . . . 120.63 110.962 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 100' ' ' MET . . . . . 0.549 ' CE ' HG12 ' G' ' 59' ' ' ILE . 27.0 mtp -62.74 -47.46 83.48 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 122.199 -0.313 . . . . 118.48 110.87 179.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.94 -47.23 64.84 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.89 -0.324 . . . . 125.68000000000001 110.841 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' GLU . . . . . . . . . . . . . . . -57.16 -45.41 83.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.385 -0.526 . . . . 118.23999999999999 110.977 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 103' ' ' ILE . . . . . . . . . . . . . . . -60.93 -44.75 98.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 120.661 -0.416 . . . . 112.59 110.368 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 104' ' ' MET . . . . . . . . . . . . . . . -58.24 -50.41 73.68 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.93 -0.481 . . . . 120.69 110.852 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 105' ' ' ARG . . . . . . . . . . . . . . . -58.8 -48.48 81.14 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.489 -0.485 . . . . 124.55 110.851 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 106' ' ' ARG . . . . . . . . . . . . . . . -52.73 -54.23 36.67 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.815 -0.354 . . . . 120.16 111.111 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 107' ' ' ILE . . . . . . . . . . . . . . . -58.47 -36.56 59.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 120.637 -0.425 . . . . 115.42 110.594 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 108' ' ' LYS . . . . . . . . . . . . . . . -55.1 -51.67 65.68 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.896 -0.502 . . . . 122.48 110.754 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 109' ' ' LYS . . . . . . . . . . . . . . . -61.49 -40.08 93.25 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.138 -0.625 . . . . 121.09999999999999 110.832 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 110' ' ' LEU . . . . . . . . . . . . . . . -59.87 -47.63 84.97 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.709 -0.396 . . . . 118.67 110.961 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 111' ' ' LEU . . . . . . . . . . . . . . . -58.36 -47.68 83.03 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.618 -0.433 . . . . 126.25 110.934 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 112' ' ' LYS . . . . . . . . . . . . . . . -58.84 -41.53 87.15 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.517 -0.473 . . . . 123.84999999999999 111.093 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 113' ' ' LYS . . . . . . . . . . . . . . . -72.31 -42.41 65.49 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.366 -0.533 . . . . 127.06 111.193 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 114' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 O-C-N 122.167 -0.333 . . . . 123.84 111.632 -176.848 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 121' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.733 -0.469 . . . . 126.41 109.733 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 122' ' ' LEU . . . . . . . . . . . . . . . -55.86 -41.06 73.78 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.905 -0.589 . . . . 117.08 111.497 -174.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 123' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.11 -43.59 98.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.997 -0.681 . . . . 122.66 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 124' ' ' GLU . . . . . . . . . . . . . . . -59.06 -48.84 80.15 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.282 -0.567 . . . . 119.23 110.836 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 125' ' ' LEU . . . . . . . . . . . . . . . -61.22 -44.55 97.09 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.584 -0.446 . . . . 123.25 111.043 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 126' ' ' ARG . . . . . . . . . . . . . . . -58.24 -44.93 88.53 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 121.38 110.973 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 127' ' ' LYS . . . . . . . . . . . . . . . -52.46 -49.52 64.47 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.019 0.437 . . . . 117.90000000000001 110.686 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 128' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' H' ' 131' ' ' ARG . 83.0 mt -49.61 -65.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.619 0 CA-C-O 121.979 0.895 . . . . 122.53 110.906 169.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 129' ' ' ILE . . . . . . . . . . . . . . . -39.82 -48.47 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.697 1.199 . . . . 118.88 108.671 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 130' ' ' GLU . . . . . . . . . . . . . . . -58.89 -51.13 71.35 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.982 -0.687 . . . . 117.53 110.542 173.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 131' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' H' ' 128' ' ' ILE . . . -56.29 -47.78 77.96 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.844 -0.342 . . . . 120.22 110.925 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 132' ' ' ILE . . . . . . . . . . . . . 10.8 mt -58.92 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.163 0.506 . . . . 113.81999999999999 110.123 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 133' ' ' ARG . . . . . . . . . . . . . . . -51.19 -42.11 60.67 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.027 -0.421 . . . . 118.48999999999999 111.292 -176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 134' ' ' GLU . . . . . . . . . . . . . . . -59.45 -48.17 82.66 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.171 -0.612 . . . . 122.95999999999999 110.715 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 135' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.7 -44.15 85.69 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.753 -0.379 . . . . 113.77 111.345 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 136' ' ' LEU . . . . . . . . . . . . . 38.6 mt -58.27 -44.25 88.32 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.387 -0.525 . . . . 113.03 110.974 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 137' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -57.45 -47.43 81.85 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.629 -0.429 . . . . 130.46000000000001 110.572 176.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 138' ' ' ARG . . . . . . . . . . . . . . . -55.57 -51.24 67.77 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.515 -0.474 . . . . 119.34999999999999 110.665 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 139' ' ' SER . . . . . 0.602 ' HA ' HD12 ' H' ' 142' ' ' ILE . . . -61.38 -38.34 86.67 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.601 -0.44 . . . . 115.02 111.117 179.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 140' ' ' ARG . . . . . . . . . . . . . . . -57.04 -49.49 75.65 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.336 -0.546 . . . . 119.79000000000001 110.722 175.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 141' ' ' LYS . . . . . . . . . . . . . . . -60.72 -32.93 72.18 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.718 -0.393 . . . . 121.93000000000001 111.595 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 142' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' H' ' 139' ' ' SER . 96.4 mt -60.51 -58.25 8.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.257 0.551 . . . . 125.81999999999999 109.978 177.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 143' ' ' HIS . . . . . . . . . . . . . . . -45.55 -36.19 4.44 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.132 -0.355 . . . . 125.14 110.626 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 144' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -58.56 -44.95 89.88 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.428 -0.509 . . . . 127.31999999999999 110.535 174.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 145' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' H' ' 142' ' ' ILE . . . -58.5 -45.22 89.2 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.892 0.377 . . . . 127.70999999999999 110.762 179.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 146' ' ' SER . . . . . . . . . . . . . . . -62.49 -42.94 99.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.099 -0.64 . . . . 128.72 110.754 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 147' ' ' GLU . . . . . . . . . . . . . . . -60.53 -38.96 86.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.428 -0.509 . . . . 152.27000000000001 111.018 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 148' ' ' GLU . . . . . . . . . . . . . . . -59.59 -39.78 85.26 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.359 -0.537 . . . . 134.56 110.884 176.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 149' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.206 0 N-CA-C 109.205 -0.665 . . . . 133.03999999999999 109.205 177.611 . . . . . . . . 0 0 . 1 stop_ save_