==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-NOV-07 2VG1 . COMPND 2 MOLECULE: SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.H.NAISMITH,W.WANG,C.DONG . 456 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 14.0 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 2 0 4 0 0 0 0 2 2 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 0 2 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 2 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 29 A S 0 0 142 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.1 8.1 -19.1 8.0 2 30 A D + 0 0 104 2,-0.1 226,-0.1 226,-0.0 225,-0.1 0.518 360.0 73.9 -75.2 -7.6 11.2 -16.9 7.6 3 31 A L S S- 0 0 67 222,-0.1 2,-0.1 223,-0.1 3,-0.1 -0.891 89.7-114.3-112.5 134.4 9.1 -14.9 5.1 4 32 A P - 0 0 2 0, 0.0 46,-0.3 0, 0.0 3,-0.2 -0.421 12.8-157.4 -63.5 140.6 6.2 -12.6 5.9 5 33 A R S S+ 0 0 126 1,-0.3 46,-2.2 44,-0.2 45,-1.1 0.866 87.3 24.2 -72.6 -45.1 2.8 -13.7 4.7 6 34 A H E S-a 51 0A 1 171,-0.3 173,-2.6 44,-0.2 174,-1.3 -0.991 70.5-170.1-130.3 120.3 1.5 -10.1 4.8 7 35 A I E -ab 52 180A 0 44,-2.2 46,-2.4 -2,-0.4 2,-0.4 -0.945 6.1-161.7-110.4 135.7 3.7 -7.0 4.5 8 36 A A E -ab 53 181A 0 172,-2.7 174,-2.8 -2,-0.4 2,-0.4 -0.940 5.4-160.0-118.2 139.5 2.3 -3.6 5.2 9 37 A V E -ab 54 182A 0 44,-2.8 46,-2.4 -2,-0.4 2,-0.7 -0.979 12.5-160.7-128.2 122.8 4.1 -0.4 4.1 10 38 A L E -ab 55 183A 0 172,-2.9 2,-1.3 -2,-0.4 174,-1.0 -0.931 17.6-153.0 -99.3 116.5 3.7 3.2 5.3 11 39 A C + 0 0 15 44,-0.7 3,-0.4 -2,-0.7 2,-0.1 -0.498 28.8 163.3 -97.2 66.5 5.0 5.4 2.6 12 40 A D + 0 0 33 -2,-1.3 198,-2.9 1,-0.2 173,-0.2 -0.403 42.9 47.7 -82.4 158.5 6.2 8.6 4.4 13 41 A G > + 0 0 6 196,-0.2 4,-2.6 197,-0.1 5,-0.2 0.483 58.0 131.6 102.0 6.4 8.5 11.3 3.2 14 42 A N H > S+ 0 0 20 -3,-0.4 4,-1.8 1,-0.2 5,-0.1 0.913 80.2 39.7 -59.3 -45.0 7.2 12.1 -0.3 15 43 A R H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 114.4 52.6 -73.5 -40.8 7.2 15.9 0.2 16 44 A R H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.899 108.7 51.9 -59.0 -41.8 10.4 16.0 2.2 17 45 A W H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.920 108.8 50.2 -59.3 -46.3 12.1 14.1 -0.7 18 46 A A H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 4,-0.4 0.936 113.0 45.9 -60.8 -45.8 10.8 16.6 -3.2 19 47 A R H ><5S+ 0 0 139 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.929 110.6 52.5 -61.7 -46.5 12.1 19.5 -1.2 20 48 A S H 3<5S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.867 109.6 50.9 -56.4 -36.6 15.5 17.8 -0.6 21 49 A A T 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.494 120.5-112.0 -81.2 -5.4 15.7 17.3 -4.4 22 50 A G T < 5 + 0 0 65 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.629 66.2 144.7 86.0 16.1 14.9 21.0 -5.0 23 51 A Y < - 0 0 96 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.684 39.5-157.9 -85.4 139.7 11.5 20.7 -6.5 24 52 A D S S+ 0 0 137 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.677 82.0 69.7 -86.5 -20.4 8.9 23.5 -5.7 25 53 A D > - 0 0 83 1,-0.1 3,-1.9 -7,-0.1 4,-0.4 -0.876 69.4-159.5-100.8 111.1 6.0 21.1 -6.6 26 54 A V T >> S+ 0 0 10 -2,-0.7 4,-1.5 1,-0.3 3,-1.2 0.697 82.6 82.0 -68.0 -14.5 5.7 18.3 -4.0 27 55 A S H 3> S+ 0 0 25 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.776 79.9 68.0 -59.9 -23.5 3.7 16.3 -6.6 28 56 A Y H <> S+ 0 0 128 -3,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.900 101.2 48.3 -59.8 -38.1 7.2 15.3 -8.0 29 57 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.4 -2,-0.2 0.935 111.1 47.6 -66.1 -47.8 7.6 13.4 -4.7 30 58 A Y H X S+ 0 0 27 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.883 109.8 54.3 -62.4 -37.1 4.3 11.7 -4.9 31 59 A R H X S+ 0 0 127 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.916 111.1 44.4 -63.9 -41.2 4.9 10.7 -8.5 32 60 A M H X S+ 0 0 72 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 111.5 53.8 -70.1 -38.5 8.2 9.1 -7.5 33 61 A G H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.895 106.1 53.9 -58.3 -39.5 6.5 7.4 -4.5 34 62 A A H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.895 106.9 50.3 -61.8 -43.3 4.0 6.1 -7.0 35 63 A A H X S+ 0 0 40 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.895 110.1 51.1 -59.4 -42.1 6.8 4.5 -9.1 36 64 A K H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.826 104.3 56.6 -68.9 -31.2 8.2 3.0 -5.9 37 65 A I H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.947 107.8 48.9 -60.1 -47.7 4.8 1.5 -4.9 38 66 A A H X S+ 0 0 11 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.918 114.7 45.1 -57.4 -45.3 4.7 -0.3 -8.3 39 67 A E H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.946 111.0 52.5 -64.1 -48.5 8.3 -1.6 -7.8 40 68 A M H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.889 108.0 50.8 -56.4 -44.2 7.7 -2.7 -4.2 41 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 109.1 51.2 -64.9 -39.6 4.7 -4.7 -5.1 42 70 A R H X S+ 0 0 88 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.2 50.2 -59.9 -44.2 6.6 -6.5 -7.9 43 71 A W H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 111.0 48.8 -59.7 -45.5 9.4 -7.3 -5.3 44 72 A C H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.6 0.928 111.7 48.9 -60.5 -46.2 6.8 -8.7 -2.8 45 73 A H H ><5S+ 0 0 66 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.933 113.6 45.6 -59.2 -46.4 5.1 -10.9 -5.5 46 74 A E H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.3 56.8 -72.4 -30.8 8.4 -12.3 -6.7 47 75 A A H 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.576 119.5-109.0 -72.3 -12.6 9.6 -12.9 -3.1 48 76 A G T <<5 + 0 0 45 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.641 62.4 156.9 91.1 16.5 6.6 -15.1 -2.5 49 77 A I < - 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -44,-0.2 -0.563 32.1-153.0 -71.8 134.7 4.8 -12.6 -0.2 50 78 A E S S+ 0 0 102 -45,-1.1 73,-2.1 -46,-0.3 2,-0.4 0.839 70.9 17.7 -81.1 -35.9 1.0 -13.5 -0.2 51 79 A L E -ac 6 123A 7 -46,-2.2 -44,-2.2 71,-0.2 2,-0.4 -1.000 58.8-170.3-144.0 134.7 -0.4 -10.1 0.6 52 80 A A E -ac 7 124A 1 71,-2.1 73,-2.6 -2,-0.4 2,-0.5 -0.997 5.7-162.0-126.0 131.9 0.8 -6.5 0.6 53 81 A T E -ac 8 125A 0 -46,-2.4 -44,-2.8 -2,-0.4 2,-0.4 -0.953 7.5-166.0-111.2 127.3 -0.9 -3.5 2.1 54 82 A V E -ac 9 126A 1 71,-2.4 73,-2.6 -2,-0.5 2,-1.0 -0.948 18.3-135.9-115.2 130.8 0.2 -0.0 1.0 55 83 A Y E +ac 10 127A 25 -46,-2.4 -44,-0.7 -2,-0.4 3,-0.1 -0.724 37.2 158.3 -87.4 99.4 -0.9 3.1 2.8 56 84 A L E + 0 0 20 71,-2.1 2,-0.3 -2,-1.0 72,-0.2 0.827 63.5 11.4 -93.2 -36.1 -1.9 5.5 0.1 57 85 A L E - c 0 128A 0 70,-2.0 73,-1.7 19,-0.0 72,-1.3 -0.876 60.9-162.7-154.4 115.8 -4.1 8.1 1.8 58 86 A S E > - c 0 130A 7 -2,-0.3 4,-0.9 71,-0.2 3,-0.2 -0.501 36.5-114.3 -87.8 162.3 -4.9 8.7 5.5 59 87 A T T >4 S+ 0 0 54 71,-1.9 3,-0.6 1,-0.2 4,-0.2 0.873 120.3 59.6 -63.1 -31.9 -7.8 10.6 6.9 60 88 A E G >4 S+ 0 0 95 70,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.881 99.7 56.4 -58.1 -41.9 -5.1 13.1 8.1 61 89 A N G >4 S+ 0 0 40 1,-0.3 3,-1.4 -3,-0.2 -1,-0.2 0.769 93.7 68.2 -61.9 -29.9 -4.0 13.6 4.5 62 90 A L G << S+ 0 0 29 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.552 85.6 69.7 -70.9 -6.9 -7.5 14.6 3.5 63 91 A Q G < S+ 0 0 169 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.1 0.374 81.4 114.1 -89.4 6.8 -7.3 17.9 5.5 64 92 A R S < S- 0 0 42 -3,-1.4 5,-0.1 1,-0.2 -3,-0.0 -0.203 83.9 -62.6 -80.8 162.7 -4.8 19.2 3.0 65 93 A D > - 0 0 94 1,-0.1 4,-3.1 4,-0.1 5,-0.3 -0.174 52.2-125.5 -35.9 123.5 -4.9 22.2 0.6 66 94 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.854 106.7 46.4 -45.6 -47.6 -7.7 21.3 -1.9 67 95 A D H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.901 115.5 43.7 -70.6 -43.7 -5.5 21.7 -5.0 68 96 A E H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 114.5 51.6 -65.4 -39.9 -2.6 19.7 -3.7 69 97 A L H X S+ 0 0 22 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.899 107.5 53.8 -62.1 -39.9 -5.0 17.1 -2.3 70 98 A A H X S+ 0 0 52 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.925 110.2 45.0 -61.7 -48.4 -6.7 16.9 -5.8 71 99 A A H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.874 112.9 52.1 -62.2 -40.1 -3.4 16.2 -7.6 72 100 A L H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 108.8 50.0 -60.8 -44.4 -2.4 13.7 -4.9 73 101 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.878 108.8 52.5 -66.6 -35.8 -5.7 11.9 -5.3 74 102 A E H X S+ 0 0 76 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.923 109.8 48.8 -62.8 -42.8 -5.2 11.8 -9.1 75 103 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 111.3 50.2 -60.9 -44.5 -1.7 10.2 -8.6 76 104 A I H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.919 108.7 51.9 -61.2 -43.4 -3.3 7.7 -6.2 77 105 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.910 109.9 48.6 -62.0 -40.6 -5.9 6.8 -8.8 78 106 A D H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.4 53.1 -62.1 -42.5 -3.2 6.2 -11.4 79 107 A V H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.928 111.0 45.0 -55.9 -49.8 -1.3 4.0 -8.9 80 108 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.931 111.0 52.3 -67.5 -43.3 -4.4 1.9 -8.3 81 109 A E H < S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.918 111.5 48.5 -58.2 -40.7 -5.2 1.6 -12.0 82 110 A E H >< S+ 0 0 98 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.904 109.9 51.0 -62.8 -44.5 -1.6 0.4 -12.5 83 111 A I H 3< S+ 0 0 4 -4,-2.4 7,-0.3 1,-0.3 -2,-0.2 0.883 110.5 50.9 -59.6 -38.1 -1.8 -2.1 -9.6 84 112 A C T 3< S+ 0 0 8 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.389 77.9 139.1 -83.7 4.4 -5.1 -3.5 -11.2 85 113 A A X> - 0 0 35 -3,-1.3 3,-1.5 -5,-0.1 4,-0.7 -0.236 60.1-125.7 -54.0 133.9 -3.5 -3.9 -14.7 86 114 A P G >4 S+ 0 0 121 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.813 104.7 63.3 -53.1 -36.1 -4.7 -7.2 -16.2 87 115 A A G 34 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.764 98.2 57.0 -64.1 -26.1 -1.2 -8.6 -17.0 88 116 A N G <4 S- 0 0 31 -3,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.833 84.6-157.4 -70.3 -35.0 -0.4 -8.6 -13.2 89 117 A H << + 0 0 107 -3,-0.7 33,-0.4 -4,-0.7 32,-0.3 0.868 35.0 156.3 49.5 42.6 -3.4 -10.9 -12.3 90 118 A W - 0 0 8 -5,-0.4 2,-0.6 -7,-0.3 33,-0.2 -0.732 45.5-126.7 -92.6 143.9 -3.2 -9.6 -8.7 91 119 A S E -d 123 0A 14 31,-2.4 33,-2.7 -2,-0.3 2,-0.3 -0.849 33.3-163.8 -90.1 123.7 -6.3 -9.7 -6.5 92 120 A V E -d 124 0A 11 -2,-0.6 2,-0.3 21,-0.4 33,-0.2 -0.864 13.9-177.0-118.2 142.7 -6.9 -6.1 -5.1 93 121 A R E -d 125 0A 92 31,-2.3 33,-2.6 -2,-0.3 2,-0.4 -0.995 23.4-129.1-134.2 138.7 -9.0 -4.8 -2.2 94 122 A T E -d 126 0A 19 -2,-0.3 2,-0.5 31,-0.2 33,-0.2 -0.724 17.3-162.9 -83.2 138.3 -9.7 -1.3 -1.0 95 123 A V E +d 127 0A 0 31,-2.6 33,-1.5 -2,-0.4 2,-0.3 -0.951 58.3 22.8-124.5 106.2 -9.1 -0.6 2.7 96 124 A G S S- 0 0 7 -2,-0.5 2,-0.7 31,-0.2 34,-0.2 -0.814 98.1 -47.9 130.2-168.9 -10.8 2.6 3.8 97 125 A D > - 0 0 70 32,-2.4 3,-1.6 -2,-0.3 4,-0.1 -0.840 30.5-173.9-114.6 103.6 -13.7 4.9 2.8 98 126 A L G > S+ 0 0 5 -2,-0.7 3,-1.2 1,-0.3 4,-0.4 0.624 79.4 81.6 -71.0 -11.4 -13.9 6.0 -0.8 99 127 A G G 3 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.550 88.3 57.7 -63.6 -7.0 -16.8 8.3 0.2 100 128 A L G < S+ 0 0 81 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.549 97.2 57.3-100.6 -8.0 -14.0 10.7 1.3 101 129 A I S < S- 0 0 11 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.452 111.2 -85.2-108.7 -3.2 -12.0 11.2 -1.9 102 130 A G > - 0 0 36 -4,-0.4 4,-2.3 3,-0.1 -1,-0.2 0.048 36.9 -97.5 102.3 147.2 -14.6 12.6 -4.5 103 131 A E H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.872 117.1 52.4 -70.8 -40.2 -17.0 10.7 -6.7 104 132 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.969 114.4 42.6 -62.2 -52.4 -15.0 10.6 -9.9 105 133 A P H > S+ 0 0 15 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.915 113.4 54.0 -55.8 -43.2 -11.8 9.2 -8.2 106 134 A A H X S+ 0 0 11 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.924 108.7 48.2 -56.9 -47.7 -14.0 6.7 -6.2 107 135 A R H X S+ 0 0 141 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 113.2 48.1 -59.2 -43.2 -15.6 5.4 -9.5 108 136 A R H X S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.907 115.4 44.1 -64.7 -44.5 -12.2 5.0 -11.1 109 137 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.932 114.8 47.7 -65.5 -48.7 -10.8 3.2 -8.1 110 138 A R H X S+ 0 0 116 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.910 112.4 50.2 -59.7 -43.0 -13.8 1.0 -7.5 111 139 A G H X S+ 0 0 43 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.907 112.2 46.8 -62.6 -44.5 -13.9 0.1 -11.2 112 140 A A H < S+ 0 0 16 -4,-2.0 3,-0.4 2,-0.2 4,-0.4 0.950 115.7 44.7 -61.8 -50.9 -10.2 -0.8 -11.3 113 141 A V H >< S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.2 -21,-0.4 0.880 110.5 54.0 -64.7 -38.0 -10.4 -2.9 -8.1 114 142 A E H 3< S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 100.4 62.5 -68.4 -26.5 -13.6 -4.7 -9.2 115 143 A S T 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.613 88.1 91.5 -71.3 -14.5 -11.9 -5.7 -12.5 116 144 A T S < S- 0 0 20 -3,-1.3 -25,-0.2 -4,-0.4 -32,-0.1 -0.528 86.9 -98.0 -85.7 152.3 -9.3 -7.8 -10.6 117 145 A P - 0 0 39 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.288 15.0-141.9 -65.9 149.3 -9.7 -11.5 -9.8 118 146 A E S S+ 0 0 171 1,-0.2 2,-0.5 -27,-0.1 -27,-0.1 0.866 92.1 51.5 -72.9 -37.1 -10.9 -12.6 -6.4 119 147 A V S S+ 0 0 114 -29,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.890 73.2 132.1-109.4 125.4 -8.6 -15.6 -6.4 120 148 A A - 0 0 18 -2,-0.5 -30,-0.1 -29,-0.1 3,-0.1 -0.978 62.3-112.6-162.3 164.0 -4.9 -15.1 -7.1 121 149 A S S S+ 0 0 91 -32,-0.3 2,-0.4 -2,-0.3 -31,-0.1 0.775 105.3 41.3 -76.0 -27.3 -1.4 -16.0 -5.9 122 150 A F - 0 0 0 -33,-0.4 -31,-2.4 -3,-0.0 2,-0.4 -0.987 69.5-166.9-128.0 135.0 -0.7 -12.3 -4.9 123 151 A H E -cd 51 91A 57 -73,-2.1 -71,-2.1 -2,-0.4 2,-0.4 -0.932 1.9-162.5-121.6 140.6 -3.1 -9.9 -3.2 124 152 A V E -cd 52 92A 1 -33,-2.7 -31,-2.3 -2,-0.4 2,-0.5 -0.991 4.0-160.4-126.5 127.8 -2.8 -6.1 -2.7 125 153 A N E -cd 53 93A 1 -73,-2.6 -71,-2.4 -2,-0.4 2,-0.6 -0.938 8.3-158.1 -99.1 128.2 -4.7 -4.0 -0.3 126 154 A V E -cd 54 94A 0 -33,-2.6 -31,-2.6 -2,-0.5 2,-0.8 -0.934 8.1-150.1-107.2 113.1 -4.8 -0.3 -1.1 127 155 A A E +cd 55 95A 0 -73,-2.6 -71,-2.1 -2,-0.6 -70,-2.0 -0.760 28.3 162.1 -88.6 111.2 -5.5 1.8 1.9 128 156 A V E +c 57 0A 1 -33,-1.5 -70,-0.2 -2,-0.8 -28,-0.1 -0.998 65.0 3.4-135.9 124.0 -7.3 5.0 0.9 129 157 A G E S+ 0 0 4 -72,-1.3 -32,-2.4 -2,-0.4 2,-0.3 0.944 98.0 157.9 65.3 51.5 -9.3 7.3 3.2 130 158 A Y E +c 58 0A 1 -73,-1.7 -71,-1.9 -34,-0.2 2,-0.3 -0.851 29.8 168.8-118.6 142.0 -8.3 5.2 6.1 131 159 A G > - 0 0 14 -2,-0.3 4,-2.2 -73,-0.2 61,-0.1 -0.966 27.2-141.8-145.7 140.3 -8.0 5.5 9.9 132 160 A G H > S+ 0 0 2 -2,-0.3 4,-1.8 59,-0.3 64,-0.2 0.900 101.2 44.1 -72.7 -44.9 -7.4 2.7 12.3 133 161 A R H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 115.3 51.7 -64.4 -41.5 -9.6 3.8 15.2 134 162 A R H > S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.907 106.0 54.7 -58.2 -42.1 -12.3 4.7 12.7 135 163 A E H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.4 48.6 -60.0 -42.8 -12.0 1.2 11.1 136 164 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.943 111.4 49.3 -61.9 -47.2 -12.6 -0.4 14.5 137 165 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.939 112.8 47.2 -57.4 -47.5 -15.6 1.8 15.2 138 166 A D H X S+ 0 0 58 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.841 110.1 54.0 -66.2 -32.3 -17.0 0.9 11.7 139 167 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.932 109.8 46.7 -62.5 -48.1 -16.3 -2.8 12.3 140 168 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.929 111.9 51.4 -61.1 -45.2 -18.3 -2.7 15.6 141 169 A R H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 111.3 47.1 -58.2 -44.0 -21.1 -0.8 13.9 142 170 A A H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.896 112.1 51.0 -63.6 -41.5 -21.3 -3.4 11.1 143 171 A L H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.926 111.9 45.7 -60.6 -50.4 -21.2 -6.3 13.6 144 172 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.856 109.9 55.4 -64.6 -37.5 -24.1 -4.8 15.7 145 173 A S H X S+ 0 0 53 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.927 107.7 48.6 -60.3 -46.9 -26.1 -4.1 12.5 146 174 A K H X S+ 0 0 115 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.898 111.6 49.6 -60.4 -43.4 -25.9 -7.7 11.4 147 175 A E H <>S+ 0 0 84 -4,-1.9 5,-2.6 2,-0.2 -1,-0.2 0.917 112.0 48.1 -61.7 -44.1 -27.0 -8.9 14.9 148 176 A L H ><5S+ 0 0 44 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.943 109.3 52.8 -62.4 -46.2 -29.9 -6.5 14.9 149 177 A A H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 107.8 52.9 -60.4 -28.2 -30.9 -7.7 11.4 150 178 A N T 3<5S- 0 0 144 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.162 131.1 -93.4 -94.0 16.8 -30.9 -11.2 12.7 151 179 A G T < 5 + 0 0 60 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.636 63.6 166.3 90.1 18.1 -33.2 -10.3 15.6 152 180 A A < - 0 0 12 -5,-2.6 -1,-0.2 -8,-0.1 2,-0.2 -0.363 31.5-128.9 -65.6 141.9 -30.9 -9.5 18.4 153 181 A T > - 0 0 59 1,-0.1 4,-2.3 230,-0.0 5,-0.2 -0.485 27.1-106.0 -79.3 162.1 -32.4 -7.7 21.4 154 182 A A H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.903 124.5 51.8 -53.5 -43.2 -30.8 -4.5 22.8 155 183 A E H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.886 109.4 49.1 -63.1 -40.3 -29.5 -6.6 25.8 156 184 A E H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.820 105.2 57.8 -69.3 -32.3 -28.0 -9.2 23.3 157 185 A L H >X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.910 99.2 60.3 -61.8 -40.1 -26.3 -6.4 21.3 158 186 A V H 3< S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 115.2 33.6 -56.4 -31.3 -24.5 -5.3 24.6 159 187 A D H 3< S+ 0 0 105 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.498 96.8 86.0-101.5 -8.7 -22.9 -8.8 24.7 160 188 A A H << + 0 0 21 -4,-1.1 2,-0.4 -3,-0.6 -2,-0.1 0.753 63.7 98.1 -68.9 -25.8 -22.4 -9.5 21.0 161 189 A V < + 0 0 0 -4,-0.6 2,-0.3 -3,-0.1 209,-0.1 -0.515 48.0 159.2 -75.8 123.9 -19.1 -7.7 20.6 162 190 A T > - 0 0 57 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.893 54.0-107.0-133.6 164.3 -16.1 -10.1 20.7 163 191 A V H > S+ 0 0 39 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.943 123.1 46.4 -56.6 -47.3 -12.5 -10.0 19.6 164 192 A E H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 109.4 54.7 -66.0 -37.3 -13.3 -12.4 16.7 165 193 A G H > S+ 0 0 9 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.877 109.9 45.8 -63.1 -40.7 -16.4 -10.4 15.8 166 194 A I H >X S+ 0 0 0 -4,-2.2 3,-1.7 2,-0.2 4,-0.6 0.960 111.6 52.1 -65.4 -49.9 -14.5 -7.2 15.4 167 195 A S H >< S+ 0 0 28 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.888 107.8 52.7 -51.2 -43.1 -11.7 -9.0 13.4 168 196 A E H 3< S+ 0 0 114 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.584 110.5 48.2 -72.4 -14.5 -14.4 -10.4 11.0 169 197 A N H << S+ 0 0 29 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.351 86.1 105.0-111.8 6.8 -15.8 -7.0 10.3 170 198 A L S X< S- 0 0 9 -3,-1.1 3,-1.5 -4,-0.6 -34,-0.1 -0.265 88.7-102.9 -73.5 169.3 -12.7 -5.0 9.6 171 199 A Y T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -78,-0.0 -4,-0.0 0.809 125.2 56.2 -58.9 -30.4 -11.8 -4.0 6.0 172 200 A T T > S+ 0 0 9 -5,-0.1 3,-2.2 3,-0.1 -1,-0.3 0.060 78.7 159.2 -92.2 19.4 -9.2 -6.8 6.1 173 201 A S T < + 0 0 49 -3,-1.5 -5,-0.1 1,-0.3 -6,-0.0 -0.190 69.2 12.3 -47.1 129.5 -11.9 -9.5 7.0 174 202 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -7,-0.1 -6,-0.1 0.529 104.2 112.3 78.9 7.8 -10.6 -13.0 6.2 175 203 A Q S < S- 0 0 30 -3,-2.2 -1,-0.3 1,-0.0 2,-0.1 -0.843 73.3-103.8-110.5 151.1 -7.0 -11.9 5.6 176 204 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 21,-0.0 -0.430 43.4-105.6 -67.5 144.0 -3.9 -12.7 7.7 177 205 A D - 0 0 59 1,-0.1 -171,-0.3 -2,-0.1 -172,-0.2 -0.299 47.4 -84.5 -62.6 154.8 -2.7 -10.0 9.9 178 206 A P - 0 0 4 0, 0.0 -171,-0.2 0, 0.0 22,-0.2 -0.386 35.3-168.9 -62.7 131.8 0.5 -8.1 8.8 179 207 A D S S+ 0 0 41 -173,-2.6 23,-2.5 1,-0.3 2,-0.4 0.736 76.7 28.5 -85.0 -32.2 3.6 -9.9 9.9 180 208 A L E -be 7 202A 0 -174,-1.3 -172,-2.7 21,-0.2 2,-0.5 -1.000 63.7-164.9-138.1 128.1 5.9 -7.0 9.0 181 209 A V E -be 8 203A 5 21,-2.8 23,-2.7 -2,-0.4 2,-0.5 -0.984 11.5-159.7-116.8 122.4 5.2 -3.3 9.0 182 210 A I E -be 9 204A 0 -174,-2.8 -172,-2.9 -2,-0.5 2,-0.4 -0.887 9.6-177.4-102.8 127.3 7.7 -1.1 7.1 183 211 A R E -be 10 205A 16 21,-2.3 23,-1.9 -2,-0.5 3,-0.2 -0.986 6.9-160.7-124.6 143.4 7.9 2.7 7.8 184 212 A T > + 0 0 0 -174,-1.0 3,-1.6 -2,-0.4 25,-0.2 -0.394 60.9 53.9-107.3-178.8 10.2 5.1 6.1 185 213 A S T 3 S- 0 0 9 23,-3.1 22,-0.3 1,-0.3 24,-0.2 0.677 117.6 -77.8 68.2 20.6 11.6 8.6 6.8 186 214 A G T 3 S+ 0 0 14 20,-2.9 2,-0.6 22,-0.3 -1,-0.3 0.581 87.2 152.4 66.5 9.9 13.0 7.7 10.2 187 215 A E < - 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