==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-JUN-04 1WLE . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.CHIMNARONK,M.G.JEPPESEN,T.SUZUKI,J.NYBORG,K.WATANABE . 936 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 4 5 1 2 0 2 2 0 0 0 0 0 0 2 0 2 0 0 0 1 0 0 1 0 2 RESIDUES PER ALPHA HELIX . 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 10 4 0 4 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 24 A R 0 0 221 0, 0.0 2,-0.5 0, 0.0 236,-0.0 0.000 360.0 360.0 360.0 147.8 62.6 56.6 73.9 2 25 A N > - 0 0 9 1,-0.1 4,-2.6 119,-0.1 3,-0.3 -0.693 360.0-145.3 -83.9 125.0 65.3 54.2 75.1 3 26 A L H > S+ 0 0 37 -2,-0.5 4,-1.9 1,-0.2 224,-0.2 0.791 99.7 54.6 -59.0 -30.2 64.0 51.4 77.2 4 27 A L H > S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.892 110.4 44.7 -71.6 -40.0 67.2 51.4 79.4 5 28 A Y H > S+ 0 0 6 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.930 114.1 48.7 -69.9 -44.8 66.8 55.1 80.1 6 29 A E H X S+ 0 0 29 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.911 107.6 56.0 -60.2 -42.5 63.1 54.9 80.9 7 30 A H H <>S+ 0 0 18 -4,-1.9 5,-1.8 -5,-0.2 6,-0.6 0.883 113.0 41.8 -56.5 -40.1 63.8 51.9 83.1 8 31 A A H ><5S+ 0 0 16 -4,-1.4 3,-1.5 3,-0.2 -1,-0.2 0.857 107.5 60.4 -76.2 -36.6 66.2 54.1 85.1 9 32 A R H 3<5S+ 0 0 125 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.854 105.1 50.0 -58.3 -34.9 63.9 57.1 85.0 10 33 A E T 3<5S- 0 0 108 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.542 117.1-119.0 -80.9 -7.8 61.3 55.0 86.9 11 34 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 2,-0.3 922,-0.1 0.582 77.0 127.3 81.5 11.5 64.0 54.1 89.4 12 35 A Y S + 0 0 67 -2,-0.2 4,-1.1 1,-0.2 3,-0.2 -0.560 51.3 155.7 -84.4 76.9 83.1 53.9 79.8 20 43 A M H > + 0 0 6 -2,-1.9 4,-3.2 1,-0.2 5,-0.3 0.796 63.4 65.1 -73.2 -31.4 83.3 57.5 78.6 21 44 A E H > S+ 0 0 119 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.868 104.0 46.7 -61.4 -36.5 86.8 58.2 80.0 22 45 A S H > S+ 0 0 60 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 114.0 48.7 -71.1 -40.3 88.3 55.6 77.6 23 46 A L H < S+ 0 0 24 -4,-1.1 -2,-0.2 1,-0.2 7,-0.2 0.942 112.4 46.5 -63.4 -50.0 86.3 57.1 74.7 24 47 A C H < S+ 0 0 37 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.8 53.5 -62.8 -31.7 87.3 60.7 75.4 25 48 A A H < S+ 0 0 59 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.887 125.5 20.7 -71.5 -41.0 90.9 59.6 75.8 26 49 A Y S X S+ 0 0 160 -4,-2.0 4,-1.7 1,-0.1 -1,-0.2 -0.539 70.9 150.9-129.5 66.8 91.1 57.8 72.5 27 50 A P H > S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.772 73.3 57.4 -67.6 -27.6 88.3 59.3 70.3 28 51 A E H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 106.2 47.1 -70.8 -44.4 90.3 58.7 67.1 29 52 A D H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 114.4 48.0 -62.5 -43.5 90.7 55.0 67.7 30 53 A A H X S+ 0 0 31 -4,-1.7 4,-2.4 -7,-0.2 -1,-0.2 0.863 107.5 58.3 -64.6 -36.3 87.0 54.7 68.5 31 54 A A H X S+ 0 0 19 -4,-1.7 4,-2.0 2,-0.2 12,-0.3 0.928 109.8 40.1 -60.4 -49.9 86.1 56.7 65.4 32 55 A R H X S+ 0 0 159 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.901 114.0 54.4 -68.3 -39.9 87.8 54.3 62.9 33 56 A A H X S+ 0 0 32 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.901 108.8 49.9 -59.1 -41.3 86.5 51.3 64.8 34 57 A L H >X>S+ 0 0 9 -4,-2.4 3,-1.0 1,-0.2 4,-0.8 0.928 109.5 49.6 -63.6 -47.4 83.0 52.7 64.6 35 58 A D H ><5S+ 0 0 57 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.885 103.9 59.5 -60.8 -40.0 83.2 53.3 60.8 36 59 A L H 3<5S+ 0 0 45 -4,-2.3 105,-0.5 1,-0.3 -1,-0.2 0.723 102.5 53.8 -62.9 -21.5 84.5 49.8 60.1 37 60 A R H <<5S- 0 0 13 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.721 93.0-152.0 -83.3 -22.3 81.4 48.3 61.7 38 61 A K T <<5 + 0 0 104 -3,-1.0 -3,-0.1 -4,-0.8 4,-0.1 0.902 43.5 142.7 49.9 48.0 79.2 50.5 59.3 39 62 A G < - 0 0 37 -5,-0.7 -1,-0.1 2,-0.5 91,-0.1 0.066 68.2 -63.0 -94.6-151.6 76.4 50.5 61.8 40 63 A E S S+ 0 0 117 89,-0.2 2,-0.2 -3,-0.0 90,-0.1 0.957 117.1 48.6 -63.8 -54.5 74.0 53.3 62.7 41 64 A L - 0 0 11 88,-0.4 -2,-0.5 85,-0.1 2,-0.2 -0.610 68.5-172.7 -91.8 150.7 76.5 55.8 64.1 42 65 A R >> - 0 0 84 -2,-0.2 3,-2.4 -4,-0.1 4,-0.6 -0.749 46.0 -79.8-131.2 178.0 79.7 56.9 62.4 43 66 A S G >4 S+ 0 0 32 1,-0.3 3,-0.8 -12,-0.3 -11,-0.1 0.801 122.2 66.7 -49.8 -34.0 82.8 59.0 63.1 44 67 A K G 34 S+ 0 0 169 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.401 99.6 53.0 -71.6 4.9 80.8 62.2 62.4 45 68 A D G <> S+ 0 0 39 -3,-2.4 4,-1.9 2,-0.1 -1,-0.2 0.634 88.4 74.6-111.8 -21.7 78.6 61.5 65.5 46 69 A L H S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.910 109.4 45.6 -49.8 -46.3 82.1 64.7 68.5 48 71 A G H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 113.6 48.2 -64.7 -43.5 78.5 65.5 69.4 49 72 A I H X S+ 0 0 10 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 113.4 47.3 -63.6 -43.8 78.2 62.7 71.8 50 73 A I H X S+ 0 0 20 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.875 112.8 50.6 -65.4 -37.3 81.5 63.6 73.6 51 74 A S H X S+ 0 0 50 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.910 108.8 49.7 -67.2 -44.5 80.4 67.2 73.7 52 75 A T H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.922 111.1 50.9 -60.6 -43.3 77.0 66.5 75.2 53 76 A W H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 112.4 45.8 -59.8 -44.7 78.7 64.3 77.8 54 77 A Q H X S+ 0 0 92 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.899 111.6 51.3 -66.3 -41.2 81.1 67.1 78.7 55 78 A E H X S+ 0 0 92 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.878 110.1 51.5 -62.5 -36.9 78.3 69.7 78.8 56 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.891 108.9 48.9 -67.1 -41.8 76.5 67.3 81.1 57 80 A R H X S+ 0 0 102 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.885 114.0 47.0 -65.7 -38.6 79.5 67.0 83.5 58 81 A Q H X S+ 0 0 118 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.914 109.6 52.5 -68.7 -44.1 79.9 70.8 83.5 59 82 A L H X S+ 0 0 14 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.898 110.0 49.6 -58.5 -41.3 76.2 71.4 84.1 60 83 A R H X S+ 0 0 89 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.858 110.5 49.8 -66.6 -36.1 76.4 69.0 87.1 61 84 A E H X S+ 0 0 110 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.904 110.4 50.3 -68.6 -40.5 79.5 70.8 88.4 62 85 A Q H X S+ 0 0 102 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.874 111.2 49.1 -64.1 -37.5 77.6 74.1 88.1 63 86 A I H X S+ 0 0 11 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.900 109.6 51.9 -68.3 -41.2 74.7 72.6 89.9 64 87 A R H X S+ 0 0 160 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.939 108.6 50.6 -60.5 -47.6 77.0 71.4 92.7 65 88 A S H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.908 112.7 46.2 -57.1 -44.8 78.5 74.8 93.1 66 89 A L H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.886 111.1 51.0 -66.7 -40.4 75.1 76.5 93.4 67 90 A E H X S+ 0 0 78 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.869 113.1 47.2 -65.6 -34.7 73.8 73.8 95.9 68 91 A E H X S+ 0 0 122 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.886 111.3 49.7 -73.0 -39.6 76.9 74.4 98.0 69 92 A E H X S+ 0 0 73 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.843 104.9 59.5 -67.6 -32.5 76.6 78.2 97.8 70 93 A K H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.932 107.4 45.6 -60.3 -45.2 72.9 77.9 98.9 71 94 A E H X S+ 0 0 102 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.895 110.6 53.4 -64.3 -41.1 74.0 76.2 102.1 72 95 A A H X S+ 0 0 61 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.903 110.4 47.9 -60.8 -41.9 76.8 78.8 102.6 73 96 A V H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 109.4 51.7 -64.4 -48.5 74.2 81.5 102.3 74 97 A T H X S+ 0 0 57 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.857 112.1 48.2 -56.5 -36.8 71.7 79.9 104.7 75 98 A E H X S+ 0 0 91 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.882 107.5 53.4 -72.1 -39.9 74.5 79.5 107.2 76 99 A A H X S+ 0 0 43 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.859 110.7 49.5 -62.8 -34.4 75.6 83.2 106.8 77 100 A V H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 110.7 47.6 -69.5 -47.5 72.0 84.1 107.6 78 101 A R H X S+ 0 0 126 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.919 113.9 48.3 -59.6 -44.6 71.7 81.9 110.7 79 102 A A H X S+ 0 0 49 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.843 110.7 51.9 -65.0 -35.3 75.0 83.3 111.9 80 103 A L H X S+ 0 0 24 -4,-1.7 4,-3.0 -5,-0.2 5,-0.3 0.946 109.5 48.1 -66.9 -49.3 73.9 86.8 111.3 81 104 A V H X S+ 0 0 58 -4,-2.6 4,-1.8 1,-0.2 5,-0.4 0.918 116.2 43.6 -57.4 -46.5 70.6 86.4 113.2 82 105 A V H < S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.889 115.9 49.4 -66.7 -38.5 72.4 84.9 116.2 83 106 A N H < S+ 0 0 130 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.855 114.6 42.4 -69.8 -38.1 75.2 87.5 116.0 84 107 A Q H < S- 0 0 90 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.767 80.9-164.6 -81.9 -27.6 72.9 90.5 115.8 85 108 A D < + 0 0 150 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.1 0.884 39.4 139.1 41.8 54.6 70.5 89.3 118.5 86 109 A N > - 0 0 92 -5,-0.4 3,-1.0 1,-0.1 -1,-0.2 -0.967 60.8-140.6-131.3 144.2 67.9 91.9 117.3 87 110 A S T 3 S+ 0 0 105 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.665 106.4 53.1 -74.5 -15.7 64.1 91.8 116.9 88 111 A Q T > + 0 0 100 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 -0.161 66.0 125.5-110.9 37.0 64.5 93.9 113.7 89 112 A V G X + 0 0 9 -3,-1.0 3,-2.1 1,-0.3 6,-0.2 0.817 64.8 68.9 -64.8 -30.3 67.1 91.7 112.0 90 113 A Q G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.740 95.4 56.1 -59.8 -23.5 64.8 91.6 108.9 91 114 A Q G < S+ 0 0 129 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.464 80.6 114.3 -88.9 -2.1 65.6 95.3 108.4 92 115 A D <> - 0 0 42 -3,-2.1 4,-2.2 -4,-0.2 5,-0.2 -0.539 66.5-139.8 -72.1 129.9 69.3 94.7 108.3 93 116 A P H > S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.880 103.7 49.0 -55.8 -41.2 70.8 95.4 104.8 94 117 A Q H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.889 108.6 52.8 -67.4 -40.6 73.1 92.4 105.0 95 118 A Y H > S+ 0 0 21 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 111.9 45.1 -61.5 -43.8 70.2 90.1 106.1 96 119 A Q H X S+ 0 0 109 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.830 110.4 55.7 -69.6 -32.2 68.1 91.2 103.1 97 120 A S H X S+ 0 0 67 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.904 110.7 43.8 -66.5 -42.3 71.1 90.9 100.8 98 121 A L H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 112.3 51.8 -68.7 -44.7 71.7 87.3 101.8 99 122 A R H X S+ 0 0 108 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.858 109.6 51.7 -60.3 -36.0 68.0 86.4 101.6 100 123 A A H X S+ 0 0 42 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.934 109.6 47.3 -66.9 -47.3 68.0 87.8 98.1 101 124 A R H X S+ 0 0 87 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.866 109.2 57.2 -62.1 -34.9 70.9 85.8 97.0 102 125 A G H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 108.5 44.2 -62.3 -43.4 69.2 82.8 98.5 103 126 A R H X S+ 0 0 149 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.855 112.7 52.9 -69.9 -34.5 66.1 83.2 96.4 104 127 A E H X S+ 0 0 74 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.920 107.7 50.7 -66.4 -44.1 68.3 83.9 93.3 105 128 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 110.2 49.8 -58.5 -47.6 70.2 80.7 93.8 106 129 A R H X S+ 0 0 119 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.838 110.9 50.5 -61.4 -33.6 67.0 78.7 94.1 107 130 A K H X S+ 0 0 126 -4,-1.7 4,-0.8 2,-0.2 3,-0.4 0.948 108.8 50.3 -69.2 -49.2 65.7 80.3 90.9 108 131 A Q H >X S+ 0 0 55 -4,-2.9 4,-1.8 1,-0.2 3,-0.7 0.863 109.2 53.0 -57.1 -37.0 68.9 79.5 89.0 109 132 A L H 3X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.848 99.7 60.8 -68.4 -33.4 68.6 75.9 90.2 110 133 A T H 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.717 109.9 44.8 -66.0 -17.9 65.0 75.6 88.9 111 134 A L H S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.893 114.9 52.2 -64.8 -37.1 65.2 70.6 84.0 115 138 A K H X S+ 0 0 76 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.868 107.9 51.6 -64.9 -38.1 68.2 71.3 81.7 116 139 A E H X S+ 0 0 39 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.921 109.6 48.4 -65.5 -45.4 70.2 68.5 83.4 117 140 A A H X S+ 0 0 36 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 113.4 49.8 -61.9 -38.6 67.4 66.0 83.0 118 141 A Q H X S+ 0 0 115 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.956 112.9 43.8 -64.7 -53.9 67.1 67.0 79.3 119 142 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 110.6 55.9 -58.8 -45.7 70.8 66.8 78.5 120 143 A E H X S+ 0 0 34 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.914 110.4 45.0 -54.9 -45.1 71.2 63.5 80.4 121 144 A E H X S+ 0 0 43 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.925 111.3 52.1 -66.3 -44.3 68.4 61.9 78.3 122 145 A Q H X S+ 0 0 93 -4,-2.4 4,-1.0 1,-0.2 5,-0.2 0.899 110.3 50.7 -58.5 -41.1 69.8 63.3 75.0 123 146 A F H >X S+ 0 0 4 -4,-2.7 4,-3.6 1,-0.2 3,-0.7 0.966 113.6 41.5 -61.6 -55.8 73.2 61.8 75.9 124 147 A Y H 3X S+ 0 0 16 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.889 106.7 61.5 -61.6 -42.2 72.0 58.3 76.6 125 148 A L H 3< S+ 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.804 120.2 28.0 -55.6 -29.0 69.6 58.1 73.7 126 149 A R H X< S+ 0 0 140 -4,-1.0 3,-1.5 -3,-0.7 -2,-0.2 0.838 119.5 52.7 -99.1 -43.9 72.6 58.6 71.4 127 150 A A H >< S+ 0 0 1 -4,-3.6 3,-1.6 1,-0.3 -3,-0.2 0.825 102.1 61.0 -62.7 -33.6 75.4 57.1 73.5 128 151 A L T 3< S+ 0 0 4 -4,-2.7 -1,-0.3 -5,-0.3 -3,-0.1 0.578 95.0 64.6 -71.2 -7.7 73.5 53.8 74.0 129 152 A R T < S+ 0 0 95 -3,-1.5 -88,-0.4 -5,-0.2 -1,-0.3 0.435 79.4 105.7 -93.3 -1.8 73.5 53.4 70.2 130 153 A L S < S- 0 0 24 -3,-1.6 -88,-0.0 -4,-0.1 227,-0.0 -0.565 71.1-123.1 -79.2 141.9 77.3 53.0 70.1 131 154 A P - 0 0 24 0, 0.0 226,-0.1 0, 0.0 -1,-0.1 -0.228 28.4 -92.9 -79.0 172.0 78.7 49.5 69.6 132 155 A N - 0 0 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10.6 53.5 429 453 A Q > - 0 0 60 4,-2.5 3,-1.9 1,-0.1 -1,-0.1 -0.749 26.3-106.2-115.8 163.9 70.2 7.3 51.5 430 454 A K T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.866 119.2 53.9 -58.4 -37.1 69.2 6.6 47.9 431 455 A D T 3 S- 0 0 120 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.395 123.1-102.8 -80.6 5.9 66.1 4.8 49.1 432 456 A G S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -260,-0.1 0.252 82.8 124.9 94.9 -14.3 65.0 7.8 51.1 433 457 A S - 0 0 5 -5,-0.1 -4,-2.5 18,-0.0 2,-0.4 -0.284 52.3-137.9 -73.7 166.6 66.0 6.4 54.5 434 458 A V E -YZ 428 449F 5 15,-2.1 15,-3.2 -6,-0.2 -6,-0.2 -0.989 9.4-132.7-131.6 124.2 68.3 8.4 56.8 435 459 A L E - Z 0 448F 57 -8,-2.2 13,-0.3 -2,-0.4 -8,-0.1 -0.454 21.8-130.6 -73.4 147.9 71.1 6.9 58.8 436 460 A V - 0 0 5 11,-2.2 5,-0.1 -2,-0.1 -1,-0.1 -0.876 19.6-116.5-104.7 127.1 71.4 8.0 62.4 437 461 A P >> - 0 0 3 0, 0.0 3,-2.1 0, 0.0 4,-0.9 -0.318 27.8-118.0 -57.8 138.9 74.7 9.2 63.9 438 462 A P G >4 S+ 0 0 96 0, 0.0 3,-1.0 0, 0.0 -97,-0.1 0.853 113.7 60.0 -46.0 -43.0 76.0 6.8 66.6 439 463 A A G 34 S+ 0 0 26 -99,-0.5 4,-0.1 1,-0.3 -98,-0.1 0.774 110.8 41.0 -59.7 -27.0 75.8 9.7 69.2 440 464 A L G X> S+ 0 0 0 -3,-2.1 4,-1.6 1,-0.1 3,-1.0 0.498 90.2 89.5 -99.6 -5.9 72.1 10.0 68.5 441 465 A Q H - 0 0 13 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.688 6.6-147.6 -82.3 123.6 33.2 33.7 66.4 472 26 B L H > S+ 0 0 53 -2,-0.5 4,-2.2 1,-0.2 224,-0.2 0.810 97.0 53.9 -59.5 -35.5 36.6 32.6 65.0 473 27 B L H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.0 45.0 -66.7 -42.7 35.3 29.3 63.7 474 28 B Y H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.936 113.7 48.0 -66.7 -46.3 32.6 31.0 61.8 475 29 B E H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 6,-0.2 0.902 109.6 54.7 -59.3 -42.0 34.8 33.7 60.4 476 30 B H H <>S+ 0 0 16 -4,-2.2 5,-2.0 -5,-0.2 6,-0.6 0.910 112.7 42.6 -57.0 -44.6 37.3 31.1 59.4 477 31 B A H ><5S+ 0 0 14 -4,-1.8 3,-1.6 3,-0.2 -2,-0.2 0.876 108.0 59.6 -70.6 -39.6 34.6 29.3 57.5 478 32 B R H 3<5S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.896 104.1 50.5 -55.6 -43.2 33.2 32.5 56.0 479 33 B E T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.549 118.5-117.1 -73.0 -6.7 36.6 33.2 54.4 480 34 B G T < 5S+ 0 0 30 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.657 76.8 130.5 79.6 16.8 36.4 29.6 53.0 481 35 B Y S + 0 0 65 -2,-0.2 4,-1.3 1,-0.2 3,-0.1 -0.545 50.5 155.3 -82.5 78.9 24.6 17.2 65.5 489 43 B M H > + 0 0 10 -2,-1.9 4,-3.1 1,-0.2 5,-0.3 0.762 63.6 68.7 -75.5 -26.4 21.4 19.1 65.4 490 44 B E H > S+ 0 0 165 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 104.7 42.0 -58.6 -44.7 19.3 16.0 64.6 491 45 B S H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 114.7 51.2 -68.6 -42.7 20.0 14.7 68.1 492 46 B L H < S+ 0 0 26 -4,-1.3 7,-0.2 1,-0.2 -2,-0.2 0.913 112.4 45.1 -61.4 -45.8 19.4 18.1 69.7 493 47 B C H < S+ 0 0 44 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 112.4 53.1 -69.3 -29.1 16.1 18.7 68.0 494 48 B A H < S+ 0 0 58 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.871 125.3 22.1 -73.7 -38.1 15.0 15.1 68.8 495 49 B Y S X S+ 0 0 151 -4,-2.1 4,-1.5 1,-0.1 -1,-0.2 -0.545 70.0 149.4-131.0 68.3 15.7 15.4 72.5 496 50 B P H > S+ 0 0 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