==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-OCT-11 3VJD . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.I.LIU,W.Y.JENG,W.J.CHANG,A.H.J.WANG . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 1 2 0 0 0 3 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 143 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 120.0 9.9 49.4 64.3 2 2 A T > - 0 0 79 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.496 360.0-103.7 -89.0 168.3 7.3 47.0 62.9 3 3 A M H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 124.9 51.5 -54.3 -43.5 7.9 44.1 60.5 4 4 A M H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 106.1 54.2 -66.2 -37.6 6.5 46.3 57.7 5 5 A D H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 107.2 51.5 -58.1 -41.9 8.9 49.1 58.6 6 6 A M H X S+ 0 0 104 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 106.7 54.0 -63.4 -37.9 11.7 46.6 58.3 7 7 A N H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.950 111.8 44.0 -60.9 -46.3 10.5 45.6 54.9 8 8 A F H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.872 109.8 56.1 -64.5 -36.9 10.6 49.2 53.7 9 9 A K H X S+ 0 0 132 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.908 107.4 49.9 -64.3 -39.1 14.0 49.8 55.4 10 10 A Y H X S+ 0 0 46 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 109.5 50.7 -63.4 -43.9 15.4 46.9 53.3 11 11 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.906 108.6 52.9 -57.9 -41.0 14.0 48.4 50.2 12 12 A H H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.925 105.9 53.6 -58.3 -45.9 15.6 51.7 51.1 13 13 A K H X S+ 0 0 144 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.908 107.2 51.6 -56.6 -42.6 19.0 49.9 51.5 14 14 A I H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.929 112.5 45.1 -61.7 -45.9 18.6 48.5 48.0 15 15 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 8,-0.3 0.898 110.8 52.6 -66.3 -42.1 17.9 51.9 46.5 16 16 A K H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 113.4 44.8 -62.2 -34.7 20.7 53.7 48.4 17 17 A K H < S+ 0 0 129 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.909 120.9 36.3 -73.8 -43.5 23.2 51.1 47.2 18 18 A H H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.607 120.0 43.3 -99.0 -11.0 22.2 51.0 43.5 19 19 A S X + 0 0 16 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 -0.550 60.3 154.1-125.7 73.0 21.2 54.6 42.8 20 20 A K T 4 S+ 0 0 141 -3,-0.4 4,-0.3 1,-0.2 -1,-0.1 0.841 76.9 51.7 -63.2 -27.4 24.1 56.4 44.5 21 21 A S T 4 S+ 0 0 9 -3,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.947 124.3 19.1 -73.6 -46.9 23.4 59.3 42.1 22 22 A F T >> S+ 0 0 9 1,-0.1 4,-1.7 2,-0.1 3,-1.1 0.612 96.9 87.6-109.6 -12.7 19.6 59.8 42.6 23 23 A S H 3X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.3 5,-0.2 0.872 85.4 62.7 -52.5 -41.5 18.7 58.2 45.9 24 24 A Y H 34 S+ 0 0 59 -4,-0.3 -1,-0.3 -5,-0.3 4,-0.2 0.863 104.7 46.4 -56.0 -40.3 19.5 61.4 47.7 25 25 A A H X4 S+ 0 0 0 -3,-1.1 3,-1.9 1,-0.2 -1,-0.2 0.942 111.5 47.8 -69.5 -48.8 16.7 63.3 45.7 26 26 A F H >< S+ 0 0 18 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.807 101.8 65.8 -68.4 -23.2 14.0 60.8 46.2 27 27 A D T 3< S+ 0 0 25 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.612 89.1 68.5 -71.3 -9.6 14.7 60.5 49.9 28 28 A L T < S+ 0 0 68 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.516 79.9 102.8 -84.9 -7.5 13.6 64.2 50.2 29 29 A L S < S- 0 0 7 -3,-1.6 208,-0.1 -4,-0.2 5,-0.0 -0.305 90.3 -80.6 -67.7 159.3 10.0 63.2 49.4 30 30 A P >> - 0 0 55 0, 0.0 4,-3.0 0, 0.0 3,-0.5 -0.247 52.3-100.8 -57.2 151.5 7.4 63.0 52.2 31 31 A E H 3> S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.836 118.6 47.1 -47.6 -50.7 7.6 59.7 54.1 32 32 A D H 3> S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 116.5 45.8 -65.6 -33.2 4.7 57.8 52.5 33 33 A Q H <> S+ 0 0 46 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.933 112.5 48.0 -74.5 -46.2 5.9 58.8 49.0 34 34 A R H X S+ 0 0 65 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.913 109.2 54.9 -65.4 -36.7 9.5 58.0 49.5 35 35 A K H X S+ 0 0 32 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.904 108.6 48.4 -60.7 -40.9 8.6 54.6 51.1 36 36 A A H X S+ 0 0 7 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.889 110.0 52.0 -66.1 -40.0 6.6 53.7 48.0 37 37 A V H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.933 108.4 52.0 -58.9 -43.8 9.5 54.8 45.8 38 38 A W H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.923 111.5 46.1 -57.4 -47.7 11.9 52.5 47.8 39 39 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.937 116.6 42.7 -63.6 -47.4 9.6 49.5 47.4 40 40 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 116.6 48.0 -66.3 -44.5 9.0 50.0 43.6 41 41 A Y H X S+ 0 0 41 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.936 111.1 51.7 -59.7 -44.7 12.7 50.8 43.0 42 42 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.889 109.0 49.3 -64.4 -40.2 13.8 47.8 45.0 43 43 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.943 113.1 47.7 -60.6 -47.8 11.6 45.4 43.1 44 44 A C H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 112.7 48.3 -61.1 -38.6 12.9 46.8 39.8 45 45 A R H X S+ 0 0 62 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.910 109.1 52.0 -69.3 -41.0 16.5 46.5 40.9 46 46 A K H X S+ 0 0 38 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.903 111.8 48.6 -64.7 -36.1 16.1 43.0 42.2 47 47 A I H >< S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.2 4,-0.5 0.952 112.2 47.4 -64.3 -51.6 14.7 42.1 38.8 48 48 A D H 3< S+ 0 0 36 -4,-2.6 4,-0.3 1,-0.2 3,-0.3 0.863 118.2 40.4 -61.8 -35.3 17.5 43.8 36.9 49 49 A D H 3X S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.542 91.0 94.2 -85.2 -11.7 20.3 42.2 39.0 50 50 A S H S+ 0 0 24 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.916 118.3 44.0 -67.6 -35.9 20.3 36.9 36.3 52 52 A D H 4 S+ 0 0 132 -4,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.891 115.6 47.4 -71.1 -41.8 23.8 38.2 37.2 53 53 A V H < S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.945 127.3 25.1 -66.0 -46.5 23.4 37.6 41.0 54 54 A Y H < S- 0 0 115 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.761 94.7-130.9 -93.6 -25.6 22.0 34.1 40.6 55 55 A G S < S+ 0 0 63 -4,-2.2 2,-0.3 -5,-0.5 -4,-0.1 0.563 81.4 50.9 85.7 8.3 23.5 32.9 37.3 56 56 A D S S- 0 0 80 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.3 -0.880 90.5-100.8-157.0-174.4 20.1 31.7 36.0 57 57 A I S > S+ 0 0 52 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 0.318 84.3 102.8-103.1 11.6 16.5 32.8 35.6 58 58 A Q H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 84.6 44.1 -61.1 -48.9 14.8 31.1 38.6 59 59 A F H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 111.8 55.4 -64.5 -38.3 14.6 34.1 40.8 60 60 A L H > S+ 0 0 3 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 108.6 47.1 -61.5 -43.0 13.4 36.1 37.9 61 61 A N H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.886 111.6 51.6 -64.3 -39.7 10.5 33.7 37.3 62 62 A Q H X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.2 19,-0.4 0.901 108.0 51.5 -62.1 -42.8 9.7 33.7 41.0 63 63 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 108.6 51.6 -60.9 -44.3 9.5 37.5 41.1 64 64 A K H X S+ 0 0 61 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.940 110.7 47.9 -59.2 -45.5 7.1 37.5 38.1 65 65 A E H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.891 110.8 51.3 -63.7 -38.5 4.9 35.0 39.8 66 66 A D H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.917 110.5 48.3 -65.8 -43.0 4.9 37.0 43.1 67 67 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.929 109.9 52.6 -62.7 -41.1 3.9 40.2 41.2 68 68 A Q H X S+ 0 0 81 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.878 106.7 53.7 -61.3 -38.2 1.2 38.3 39.4 69 69 A S H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.898 110.0 46.8 -60.4 -44.7 -0.1 37.1 42.8 70 70 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.903 112.6 50.4 -63.9 -45.0 -0.3 40.7 44.1 71 71 A E H < S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.924 118.4 37.1 -57.2 -46.4 -2.0 41.9 40.9 72 72 A K H < S+ 0 0 146 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.874 135.5 19.1 -78.1 -34.4 -4.7 39.1 41.0 73 73 A Y >< + 0 0 117 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.2 -0.579 64.9 164.7-137.9 67.6 -5.1 39.1 44.8 74 74 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.745 79.6 46.5 -65.3 -19.0 -3.8 42.3 46.4 75 75 A Y T 3 S+ 0 0 162 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.285 94.6 90.6-106.7 7.2 -5.6 41.7 49.7 76 76 A E S < S- 0 0 118 -3,-1.6 2,-0.4 -7,-0.2 -3,-0.1 -0.753 82.2-106.3-101.8 154.2 -4.7 38.0 50.3 77 77 A Y - 0 0 130 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.654 38.4-164.0 -79.2 126.3 -1.7 36.7 52.1 78 78 A H - 0 0 23 -2,-0.4 2,-1.2 -12,-0.0 -12,-0.0 -0.902 24.6-138.9-111.9 138.3 0.9 35.2 49.8 79 79 A H - 0 0 158 -2,-0.4 -2,-0.0 2,-0.0 5,-0.0 -0.791 39.6-142.5 -86.8 89.8 3.8 33.0 50.6 80 80 A F - 0 0 23 -2,-1.2 4,-0.2 1,-0.1 -17,-0.1 -0.278 15.6-157.9 -64.2 142.6 6.2 34.9 48.3 81 81 A Q S S+ 0 0 89 -19,-0.4 -18,-0.2 2,-0.1 -1,-0.1 0.714 79.0 39.6 -88.1 -29.1 8.7 32.8 46.3 82 82 A S S S- 0 0 22 -20,-0.3 2,-0.6 1,-0.2 -19,-0.1 0.813 127.0 -20.1 -92.4 -97.4 11.3 35.5 45.5 83 83 A D > - 0 0 9 1,-0.1 4,-2.2 -24,-0.1 5,-0.2 -0.939 55.1-163.3-121.3 107.2 12.2 38.1 48.2 84 84 A R H > S+ 0 0 103 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.847 85.5 57.8 -60.7 -35.7 9.5 38.3 50.8 85 85 A R H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.934 112.0 39.8 -63.6 -46.5 10.7 41.6 52.2 86 86 A I H > S+ 0 0 0 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.885 116.9 49.8 -71.9 -36.5 10.4 43.5 48.9 87 87 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.875 108.0 52.3 -72.3 -35.0 7.2 41.8 47.9 88 88 A M H X S+ 0 0 27 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.921 112.6 46.9 -62.9 -40.1 5.4 42.5 51.2 89 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.928 112.4 48.4 -66.1 -45.6 6.4 46.1 50.7 90 90 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.924 110.9 51.3 -61.3 -43.0 5.2 46.2 47.1 91 91 A Q H X S+ 0 0 10 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.902 107.6 53.6 -60.8 -40.0 1.9 44.6 48.1 92 92 A H H < S+ 0 0 55 -4,-2.1 3,-0.4 1,-0.2 4,-0.3 0.922 111.2 45.5 -59.3 -45.2 1.5 47.2 50.8 93 93 A V H >X S+ 0 0 8 -4,-2.3 3,-2.0 1,-0.2 4,-1.7 0.928 109.6 55.0 -62.7 -43.5 1.9 50.0 48.2 94 94 A A H 3< S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 100.0 60.6 -64.4 -25.0 -0.4 48.2 45.8 95 95 A Q T 3< S+ 0 0 58 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.559 118.0 30.4 -73.6 -12.0 -3.1 48.2 48.5 96 96 A H T <4 S+ 0 0 133 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.526 121.8 38.5-119.0 -20.3 -3.0 52.0 48.6 97 97 A K S < S- 0 0 84 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.2 -0.973 82.6-101.5-139.7 152.0 -2.0 53.0 45.0 98 98 A N - 0 0 119 -2,-0.3 2,-0.5 -3,-0.1 46,-0.1 -0.587 39.6-158.2 -75.4 118.9 -2.8 52.0 41.4 99 99 A I - 0 0 18 -2,-0.5 2,-1.7 -5,-0.2 3,-0.2 -0.902 17.1-135.1-102.6 134.1 0.2 50.0 40.2 100 100 A A >> + 0 0 31 -2,-0.5 3,-1.5 1,-0.2 4,-1.0 -0.608 28.6 179.3 -83.5 82.1 0.9 49.6 36.4 101 101 A F H >> S+ 0 0 28 -2,-1.7 4,-2.0 1,-0.3 3,-0.5 0.843 73.3 62.8 -57.7 -36.5 1.6 45.9 36.6 102 102 A Q H 3> S+ 0 0 111 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.785 96.9 60.4 -62.1 -26.3 2.2 45.6 32.8 103 103 A S H <> S+ 0 0 10 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.903 104.2 48.4 -66.8 -38.5 5.2 48.0 33.3 104 104 A F H < S+ 0 0 119 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.925 112.4 46.0 -64.3 -44.2 15.4 38.5 30.1 113 113 A K H 3< S+ 0 0 151 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.845 113.4 50.2 -65.9 -33.2 16.1 39.6 26.5 114 114 A D T >< S+ 0 0 13 -4,-2.3 3,-2.8 1,-0.2 -1,-0.2 0.329 75.4 116.1 -86.3 5.6 19.1 41.5 27.6 115 115 A Q T < S+ 0 0 58 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.644 76.7 45.6 -57.4 -19.6 20.6 38.6 29.6 116 116 A H T 3 S- 0 0 141 -3,-0.4 -1,-0.3 -4,-0.1 3,-0.1 0.340 109.4-118.7-100.6 5.7 23.7 38.3 27.4 117 117 A F < - 0 0 73 -3,-2.8 65,-0.3 1,-0.2 2,-0.2 0.926 45.9-170.9 52.8 49.1 24.4 42.0 27.4 118 118 A T - 0 0 85 -5,-0.2 -1,-0.2 -4,-0.1 2,-0.1 -0.488 23.2-108.6 -70.7 139.1 24.0 41.9 23.6 119 119 A M - 0 0 63 -2,-0.2 2,-0.4 -3,-0.1 64,-0.1 -0.385 29.4-117.5 -69.9 147.6 24.9 45.1 21.7 120 120 A F - 0 0 23 62,-0.4 66,-2.8 64,-0.3 67,-0.2 -0.684 12.7-152.4 -89.1 135.1 22.2 47.2 20.2 121 121 A E S S+ 0 0 92 -2,-0.4 66,-1.8 64,-0.2 2,-0.3 0.868 76.5 15.0 -73.3 -37.7 22.2 47.6 16.4 122 122 A T S > S- 0 0 56 64,-0.2 4,-2.0 65,-0.1 3,-0.5 -0.872 77.9-109.7-135.5 160.4 20.5 51.0 16.2 123 123 A D H > S+ 0 0 9 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.846 116.9 64.3 -61.0 -34.0 19.7 53.8 18.6 124 124 A A H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 105.1 44.8 -57.0 -37.3 16.0 52.9 18.3 125 125 A E H > S+ 0 0 92 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.900 112.1 51.8 -72.0 -43.0 16.9 49.5 20.0 126 126 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.947 112.4 45.4 -56.0 -48.1 19.0 51.3 22.6 127 127 A F H X S+ 0 0 63 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.855 108.6 56.7 -69.2 -30.1 16.1 53.6 23.4 128 128 A G H X S+ 0 0 43 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.904 108.3 48.1 -61.9 -38.1 13.7 50.6 23.4 129 129 A Y H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.899 107.9 54.5 -66.2 -42.1 16.0 49.1 26.1 130 130 A C H X>S+ 0 0 1 -4,-2.3 5,-2.0 1,-0.2 4,-1.7 0.898 109.1 48.5 -61.1 -39.3 16.0 52.3 28.0 131 131 A Y H <>S+ 0 0 55 -4,-2.3 5,-2.3 3,-0.2 3,-0.3 0.964 111.5 50.9 -58.1 -53.7 12.2 52.2 28.0 132 132 A G H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -22,-0.2 0.850 121.0 30.0 -56.6 -41.5 12.2 48.6 29.2 133 133 A V H <5S+ 0 0 12 -4,-2.5 -1,-0.2 -23,-0.1 -2,-0.2 0.615 140.8 8.0 -93.3 -16.6 14.6 49.1 32.1 134 134 A A T X5S+ 0 0 10 -4,-1.7 4,-2.1 -5,-0.3 -3,-0.2 0.600 118.5 60.6-139.3 -39.8 13.8 52.7 33.2 135 135 A G H > S+ 0 0 21 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.926 108.0 50.9 -60.3 -42.1 10.1 52.4 36.4 138 138 A G H X S+ 0 0 7 -4,-2.1 4,-0.8 1,-0.2 20,-0.2 0.914 108.8 51.8 -62.5 -40.0 8.9 55.9 35.7 139 139 A E H >< S+ 0 0 18 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.943 110.5 46.9 -60.1 -47.3 5.5 54.5 34.7 140 140 A V H 3< S+ 0 0 1 -4,-2.4 4,-0.2 1,-0.3 -1,-0.2 0.887 112.9 50.4 -65.0 -35.3 5.1 52.5 37.9 141 141 A L H >X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 3,-1.3 0.625 84.9 94.9 -74.2 -12.2 6.2 55.5 40.0 142 142 A T H > S- 0 0 58 -2,-0.8 4,-1.8 82,-0.1 3,-0.6 -0.855 70.1-114.1-114.9 156.6 -3.3 61.6 32.6 151 151 A H H 3> S+ 0 0 151 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.872 114.4 55.8 -59.1 -36.3 -1.3 60.2 29.7 152 152 A Q H 3> S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 103.3 54.8 -71.5 -26.1 1.1 63.2 29.7 153 153 A T H <> S+ 0 0 1 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.957 111.3 44.1 -68.7 -45.8 2.0 62.5 33.3 154 154 A Y H X S+ 0 0 52 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.888 113.8 53.4 -58.6 -37.6 2.9 58.9 32.5 155 155 A D H X S+ 0 0 62 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.909 109.9 45.0 -66.8 -42.3 4.7 60.3 29.4 156 156 A V H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.922 115.0 47.9 -66.7 -43.9 6.8 62.7 31.4 157 157 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.882 111.5 50.9 -63.5 -40.0 7.7 60.2 34.0 158 158 A R H X S+ 0 0 58 -4,-2.6 4,-2.7 -20,-0.2 -2,-0.2 0.945 112.3 46.4 -61.0 -47.0 8.6 57.6 31.4 159 159 A R H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.883 110.4 53.5 -63.9 -40.4 10.9 60.2 29.7 160 160 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.945 110.8 46.8 -58.7 -47.5 12.4 61.1 33.0 161 161 A G H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -26,-0.3 0.945 113.5 47.2 -61.6 -47.5 13.2 57.4 33.7 162 162 A E H X S+ 0 0 50 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.868 112.7 50.0 -60.7 -36.5 14.7 56.9 30.3 163 163 A S H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.896 108.5 51.3 -71.5 -39.8 16.8 60.1 30.5 164 164 A L H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.894 109.8 52.0 -61.2 -37.5 18.1 59.1 34.0 165 165 A Q H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 106.3 52.3 -66.5 -39.8 19.1 55.7 32.4 166 166 A L H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.886 108.6 51.6 -64.3 -36.2 20.9 57.5 29.5 167 167 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.920 107.6 51.9 -61.8 -45.5 22.8 59.5 32.2 168 168 A N H X S+ 0 0 37 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.938 110.9 49.0 -57.1 -44.9 23.8 56.2 33.9 169 169 A I H < S+ 0 0 3 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.931 111.8 47.7 -58.5 -47.5 25.0 54.9 30.6 170 170 A L H < S+ 0 0 3 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.797 114.6 46.6 -68.1 -29.1 27.1 58.1 29.9 171 171 A R H < S+ 0 0 24 -4,-2.3 95,-0.5 1,-0.2 3,-0.2 0.788 116.6 44.0 -75.0 -31.9 28.6 57.9 33.5 172 172 A D X + 0 0 16 -4,-1.7 4,-3.6 -3,-0.2 5,-0.4 0.125 67.1 121.2-112.2 19.5 29.4 54.2 33.3 173 173 A V H > S+ 0 0 14 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.903 84.3 40.2 -52.2 -49.0 31.0 53.6 29.9 174 174 A G H > S+ 0 0 4 87,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.939 117.6 46.0 -68.6 -49.3 34.2 52.3 31.4 175 175 A E H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.906 114.4 49.8 -60.8 -42.7 32.7 50.3 34.3 176 176 A D H <>S+ 0 0 26 -4,-3.6 5,-2.5 1,-0.2 3,-0.5 0.935 109.4 51.5 -60.7 -45.0 30.1 48.8 31.9 177 177 A F H ><5S+ 0 0 53 -4,-2.5 3,-2.0 -5,-0.4 -2,-0.2 0.910 105.9 54.2 -58.5 -40.7 32.9 47.9 29.4 178 178 A E H 3<5S+ 0 0 94 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.810 109.4 50.9 -61.3 -30.9 34.8 46.1 32.2 179 179 A N T 3<5S- 0 0 84 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.080 125.8-102.1 -95.0 21.7 31.6 44.2 32.8 180 180 A E T < 5S+ 0 0 168 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.751 82.1 126.2 67.3 31.6 31.2 43.2 29.1 181 181 A R < + 0 0 10 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.972 31.0 173.5-125.3 125.3 28.5 45.8 28.4 182 182 A I + 0 0 32 -2,-0.4 -62,-0.4 -65,-0.3 -9,-0.0 -0.989 2.5 179.3-125.6 125.0 28.4 48.5 25.6 183 183 A Y + 0 0 24 -2,-0.4 -63,-0.1 -64,-0.1 -1,-0.1 0.709 50.6 99.9 -95.9 -26.6 25.2 50.4 25.3 184 184 A F S S- 0 0 3 1,-0.1 -64,-0.3 -15,-0.1 2,-0.1 -0.336 83.7-104.5 -59.4 142.7 26.1 52.8 22.4 185 185 A S > - 0 0 0 1,-0.1 4,-2.9 -66,-0.1 -64,-0.2 -0.383 14.0-124.6 -73.5 153.0 24.6 51.5 19.2 186 186 A K H > S+ 0 0 93 -66,-2.8 4,-2.5 1,-0.2 5,-0.2 0.892 112.2 55.6 -57.9 -41.8 26.6 49.7 16.5 187 187 A Q H > S+ 0 0 79 -66,-1.8 4,-2.3 -67,-0.2 -1,-0.2 0.933 111.6 41.2 -58.2 -46.6 25.3 52.2 14.0 188 188 A R H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 113.1 53.7 -74.2 -38.6 26.5 55.3 16.0 189 189 A L H X>S+ 0 0 13 -4,-2.9 5,-2.6 1,-0.2 4,-0.6 0.929 111.9 45.8 -56.0 -46.5 29.8 53.6 17.0 190 190 A K H ><5S+ 0 0 180 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.930 111.2 52.0 -63.8 -44.5 30.4 53.0 13.3 191 191 A Q H 3<5S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.3 39.9 -58.3 -40.3 29.4 56.5 12.3 192 192 A Y H 3<5S- 0 0 49 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.417 109.1-121.2 -93.4 1.4 31.8 58.1 14.8 193 193 A E T <<5 + 0 0 144 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.928 59.9 152.0 58.1 50.4 34.6 55.6 14.2 194 194 A V < - 0 0 14 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.2 -0.941 31.9-176.6-118.4 129.8 34.6 54.5 17.8 195 195 A D > - 0 0 95 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.988 15.7-155.3-119.3 114.8 35.7 51.1 19.2 196 196 A I H > S+ 0 0 4 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.887 93.6 52.4 -60.3 -41.6 35.1 51.1 23.0 197 197 A A H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 111.2 48.7 -55.6 -43.5 37.7 48.4 23.7 198 198 A E H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.893 112.7 47.0 -66.4 -40.9 40.2 50.5 21.8 199 199 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 109.0 55.1 -67.6 -39.5 39.2 53.6 23.7 200 200 A Y H < S+ 0 0 58 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.6 38.1 -59.9 -39.5 39.4 51.7 27.0 201 201 A Q H < S+ 0 0 154 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.928 128.3 28.4 -75.2 -46.8 43.0 50.7 26.1 202 202 A N H < S- 0 0 100 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.499 106.7-110.9-105.6 -6.8 44.3 53.8 24.5 203 203 A G < - 0 0 33 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.173 48.9 -39.1 102.1 167.9 42.4 56.7 26.1 204 204 A V - 0 0 48 55,-0.2 2,-0.3 -4,-0.1 56,-0.0 -0.162 55.3-176.8 -58.1 150.0 39.7 59.2 24.9 205 205 A N > - 0 0 59 1,-0.0 4,-2.4 0, 0.0 5,-0.2 -0.908 42.9 -95.4-138.4 176.0 40.0 60.8 21.5 206 206 A N H > S+ 0 0 127 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.885 122.4 54.6 -65.2 -36.4 38.0 63.4 19.7 207 207 A H H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 109.6 47.7 -59.4 -45.1 35.8 60.8 17.9 208 208 A Y H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 111.9 49.7 -61.0 -44.2 34.9 59.3 21.3 209 209 A I H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.920 109.8 51.3 -62.3 -40.8 34.1 62.7 22.7 210 210 A D H X S+ 0 0 83 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 111.8 47.3 -63.7 -40.4 31.9 63.5 19.8 211 211 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.939 112.9 47.3 -65.7 -45.6 30.0 60.3 20.2 212 212 A W H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.934 112.7 50.3 -61.9 -42.9 29.6 60.8 23.9 213 213 A E H X S+ 0 0 50 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.800 102.6 61.0 -66.5 -31.3 28.4 64.4 23.4 214 214 A Y H X S+ 0 0 74 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.952 112.1 38.1 -57.0 -50.4 25.9 63.2 20.7 215 215 A Y H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.875 112.8 56.8 -70.7 -38.7 24.1 61.1 23.4 216 216 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.884 103.8 54.5 -59.2 -37.3 24.6 63.8 26.1 217 217 A A H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.877 107.3 50.8 -64.5 -36.8 22.9 66.3 23.9 218 218 A I H X S+ 0 0 37 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.952 111.4 47.3 -61.4 -51.2 19.9 63.9 23.7 219 219 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.917 111.9 50.3 -57.4 -45.1 19.8 63.5 27.4 220 220 A E H X S+ 0 0 42 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.899 111.2 48.3 -65.2 -39.7 20.0 67.3 28.0 221 221 A K H X S+ 0 0 108 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.930 111.4 50.3 -64.6 -41.1 17.2 68.0 25.6 222 222 A D H X S+ 0 0 31 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.895 109.5 50.8 -68.0 -38.2 15.0 65.3 27.2 223 223 A F H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.900 107.8 52.9 -61.2 -41.0 15.7 66.8 30.6 224 224 A R H X S+ 0 0 141 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 109.9 49.7 -59.7 -40.1 14.7 70.3 29.4 225 225 A D H X S+ 0 0 55 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.905 109.9 49.6 -67.5 -40.5 11.5 68.7 28.1 226 226 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.944 110.8 50.2 -59.0 -48.2 10.8 67.1 31.4 227 227 A M H >< S+ 0 0 48 -4,-2.8 3,-1.7 1,-0.3 4,-0.2 0.857 102.6 59.6 -61.6 -34.5 11.4 70.3 33.2 228 228 A D H 3< S+ 0 0 131 -4,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.783 113.2 40.7 -61.9 -25.7 9.0 72.2 30.9 229 229 A Q T X< S+ 0 0 79 -3,-1.1 3,-2.2 -4,-0.9 -1,-0.3 0.062 77.1 124.0-109.0 24.3 6.4 69.8 32.2 230 230 A I G X + 0 0 17 -3,-1.7 3,-1.8 1,-0.3 -1,-0.1 0.811 62.8 69.2 -57.2 -30.2 7.5 69.8 35.9 231 231 A K G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.490 77.1 79.6 -75.9 0.1 4.0 70.8 37.0 232 232 A V G < S+ 0 0 12 -3,-2.2 -84,-0.5 -80,-0.1 -1,-0.3 0.738 86.4 76.8 -68.0 -21.7 2.6 67.4 36.0 233 233 A F S < S- 0 0 2 -3,-1.8 -87,-0.3 -4,-0.3 5,-0.1 -0.460 100.4 -87.8 -88.8 157.4 4.0 66.2 39.3 234 234 A S > - 0 0 6 -89,-2.7 4,-2.0 -2,-0.1 3,-0.2 -0.240 40.1-110.5 -57.0 153.7 2.6 66.8 42.8 235 235 A I T 4 S+ 0 0 103 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.878 120.8 50.7 -56.9 -36.0 3.7 70.0 44.4 236 236 A E T 4 S+ 0 0 90 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.859 112.7 45.4 -68.4 -37.3 5.8 68.0 46.9 237 237 A A T > S+ 0 0 0 -3,-0.2 4,-2.7 -92,-0.2 3,-0.4 0.750 93.6 81.2 -79.1 -23.9 7.5 65.9 44.2 238 238 A Q H X S+ 0 0 12 -4,-2.0 4,-2.8 1,-0.3 5,-0.2 0.906 93.5 43.3 -54.7 -48.6 8.3 68.9 41.9 239 239 A P H > S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.840 114.1 53.0 -69.2 -25.6 11.5 70.1 43.7 240 240 A I H > S+ 0 0 6 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.916 111.1 45.5 -70.9 -41.0 12.6 66.5 44.0 241 241 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.924 112.2 51.5 -67.0 -43.9 12.2 65.8 40.3 242 242 A E H X S+ 0 0 27 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.902 110.1 50.5 -59.2 -39.9 13.9 69.1 39.5 243 243 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.923 107.9 51.5 -66.1 -41.7 16.8 68.1 41.8 244 244 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 112.1 47.7 -61.8 -41.1 17.1 64.7 40.1 245 245 A A H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 112.4 48.9 -63.8 -37.4 17.3 66.5 36.7 246 246 A R H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 110.2 50.3 -70.6 -39.2 19.9 68.9 38.1 247 247 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.916 108.2 55.3 -62.5 -41.6 22.0 66.1 39.5 248 248 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.926 109.4 44.6 -54.4 -49.2 21.8 64.4 36.1 249 249 A I H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.874 111.1 55.0 -65.6 -37.2 23.2 67.5 34.3 250 250 A E H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 104.0 54.6 -63.2 -38.5 25.8 67.8 37.0 251 251 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.910 106.6 51.2 -60.3 -45.7 26.9 64.2 36.4 252 252 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.927 110.8 48.4 -57.5 -41.7 27.4 65.1 32.7 253 253 A D H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.858 109.2 53.2 -67.5 -34.1 29.5 68.0 33.7 254 254 A E H X S+ 0 0 70 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.900 108.4 49.8 -63.5 -43.8 31.6 65.8 36.1 255 255 A V H <>S+ 0 0 8 -4,-2.5 5,-2.8 1,-0.2 6,-0.4 0.950 111.9 48.4 -60.4 -45.4 32.3 63.4 33.3 256 256 A R H ><5S+ 0 0 47 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.909 110.1 51.0 -60.2 -43.0 33.4 66.3 31.1 257 257 A Q H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.5 53.9 -66.0 -28.6 35.6 67.7 33.8 258 258 A A T ><5S- 0 0 36 -4,-1.7 3,-1.3 -3,-0.3 -1,-0.3 0.137 121.3-110.2 -89.7 15.6 37.2 64.2 34.2 259 259 A N T < 5 - 0 0 120 -3,-1.6 -55,-0.2 1,-0.3 -3,-0.2 0.851 62.2 -69.7 55.5 37.9 38.0 64.2 30.5 260 260 A Y T 3 - 0 0 115 -2,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.278 14.9-124.7 -58.0 140.4 29.2 64.7 46.0 270 270 A K H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 114.8 54.9 -50.9 -46.8 26.5 64.5 48.6 271 271 A R H > S+ 0 0 179 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 107.1 50.1 -57.6 -36.6 27.5 68.0 49.7 272 272 A K H > S+ 0 0 73 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.867 105.9 55.5 -70.5 -36.3 27.1 69.3 46.2 273 273 A K H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 106.0 52.6 -61.1 -38.8 23.6 67.7 45.9 274 274 A A H X S+ 0 0 34 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 109.4 49.1 -62.0 -40.2 22.7 69.7 49.0 275 275 A K H X S+ 0 0 108 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.933 110.6 49.4 -64.1 -47.5 23.9 72.9 47.4 276 276 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.893 112.4 49.0 -58.5 -41.7 21.9 72.1 44.2 277 277 A F H X S+ 0 0 32 -4,-2.4 4,-3.7 2,-0.2 5,-0.3 0.886 106.0 55.7 -66.7 -37.5 18.8 71.5 46.3 278 278 A H H X S+ 0 0 145 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.917 109.5 47.6 -59.3 -41.3 19.2 74.7 48.3 279 279 A E H < S+ 0 0 87 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.923 119.4 39.4 -65.0 -45.0 19.2 76.6 45.0 280 280 A I H >< S+ 0 0 8 -4,-2.1 3,-2.2 1,-0.2 4,-0.4 0.949 112.4 52.2 -70.9 -49.9 16.2 74.7 43.7 281 281 A N H >< S+ 0 0 70 -4,-3.7 3,-1.5 1,-0.3 -1,-0.2 0.775 95.8 70.7 -66.1 -23.7 14.1 74.5 46.9 282 282 A S T 3< S+ 0 0 91 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.615 94.3 57.0 -66.2 -11.9 14.4 78.3 47.5 283 283 A K T < 0 0 140 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.668 360.0 360.0 -87.5 -16.5 12.1 78.7 44.5 284 284 A Y < 0 0 98 -3,-1.5 -49,-0.0 -4,-0.4 -3,-0.0 -0.163 360.0 360.0-104.4 360.0 9.4 76.6 46.1