==== 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 17-JUN-01 1JEE . COMPND 2 MOLECULE: SULFATE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.C.ULLRICH,R.HUBER . 1020 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 7.3 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 . 6 0.6 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 . 72 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 8 0 2 0 4 6 6 4 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 10 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 . 8 4 0 2 0 2 0 2 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 2 0 4 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 2 A P 0 0 59 0, 0.0 280,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 162.4 119.0 203.8 149.3 2 3 A A - 0 0 52 1,-0.1 5,-0.1 319,-0.1 3,-0.1 -0.373 360.0 -98.6 -66.3 141.3 118.5 207.5 149.5 3 4 A P > - 0 0 20 0, 0.0 3,-3.1 0, 0.0 2,-0.1 -0.274 54.3 -81.8 -59.5 152.8 115.0 208.5 150.1 4 5 A H T 3 S+ 0 0 9 271,-0.4 3,-0.3 1,-0.3 316,-0.0 -0.350 124.0 21.4 -56.6 124.2 113.2 209.6 146.9 5 6 A G T 3 S- 0 0 56 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.256 123.0 -92.3 96.6 -12.4 114.1 213.2 146.2 6 7 A G S < S+ 0 0 47 -3,-3.1 2,-0.5 -4,-0.1 -1,-0.2 0.056 104.6 77.3 96.5 -26.6 117.2 212.8 148.3 7 8 A I S S- 0 0 110 -3,-0.3 2,-0.5 -5,-0.1 -1,-0.1 -0.970 76.2-129.7-123.8 126.2 115.8 213.9 151.6 8 9 A L - 0 0 44 -2,-0.5 2,-1.3 1,-0.1 43,-0.1 -0.591 21.3-146.9 -70.6 119.3 113.6 212.0 154.0 9 10 A Q + 0 0 41 -2,-0.5 2,-1.8 41,-0.4 41,-0.6 -0.285 32.5 163.0 -86.2 53.5 110.7 214.4 154.6 10 11 A D B > +A 49 0A 33 -2,-1.3 4,-2.4 39,-0.3 3,-0.2 -0.532 9.7 177.8 -72.8 88.6 110.0 213.3 158.2 11 12 A L H > S+ 0 0 0 -2,-1.8 4,-2.8 37,-1.5 148,-0.3 0.692 73.6 64.7 -71.1 -17.7 108.1 216.4 159.2 12 13 A I H 4 S+ 0 0 58 36,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.950 110.8 39.0 -66.9 -44.5 107.3 215.0 162.7 13 14 A A H >4 S+ 0 0 62 -3,-0.2 3,-0.8 2,-0.2 4,-0.3 0.931 117.1 50.9 -66.3 -47.1 111.1 215.3 163.2 14 15 A R H 3< S+ 0 0 121 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.913 117.5 36.6 -57.1 -49.1 111.4 218.5 161.3 15 16 A D T >< S+ 0 0 2 -4,-2.8 3,-2.5 1,-0.2 4,-0.4 0.320 80.2 118.3 -91.9 7.7 108.6 220.4 163.2 16 17 A A G X S+ 0 0 53 -3,-0.8 3,-1.5 -4,-0.5 4,-0.3 0.830 76.3 47.2 -40.6 -52.8 109.3 218.9 166.6 17 18 A L G 3 S+ 0 0 155 -3,-0.3 -1,-0.3 -4,-0.3 4,-0.2 0.550 109.3 56.2 -71.3 -6.4 110.1 222.2 168.4 18 19 A K G <> S+ 0 0 97 -3,-2.5 4,-3.6 1,-0.1 5,-0.3 0.317 79.3 102.6-101.4 0.8 107.0 223.8 166.7 19 20 A K H <> S+ 0 0 86 -3,-1.5 4,-2.0 -4,-0.4 5,-0.2 0.934 82.1 41.1 -50.6 -58.5 104.8 221.1 168.3 20 21 A N H > S+ 0 0 126 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.864 117.8 47.6 -61.6 -37.3 103.4 223.2 171.1 21 22 A E H > S+ 0 0 111 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.939 111.6 48.6 -70.6 -47.4 102.9 226.2 168.9 22 23 A L H X S+ 0 0 7 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.858 110.3 54.0 -60.7 -35.4 101.2 224.4 166.1 23 24 A L H X S+ 0 0 41 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.891 107.9 48.7 -66.4 -40.5 99.0 222.7 168.6 24 25 A S H X S+ 0 0 86 -4,-1.7 4,-0.7 2,-0.2 3,-0.4 0.953 112.8 47.0 -65.5 -47.7 97.9 226.1 170.1 25 26 A E H >< S+ 0 0 57 -4,-2.5 3,-0.8 1,-0.2 6,-0.3 0.896 109.6 56.7 -58.9 -39.0 97.2 227.4 166.5 26 27 A A H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.1 38.6 -61.6 -34.6 95.3 224.2 165.8 27 28 A Q H 3< S+ 0 0 123 -4,-1.6 -1,-0.2 -3,-0.4 2,-0.2 0.398 86.1 119.1-100.5 5.0 92.9 224.7 168.7 28 29 A S X< - 0 0 48 -3,-0.8 3,-0.9 -4,-0.7 -3,-0.0 -0.512 69.4-128.5 -70.8 134.4 92.5 228.4 168.4 29 30 A S T 3 S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.569 101.0 60.4 -63.4 -8.2 88.8 229.3 167.8 30 31 A D T 3 S+ 0 0 157 -5,-0.1 -1,-0.2 2,-0.1 -5,-0.0 0.826 81.9 92.2 -89.9 -30.6 89.7 231.5 164.8 31 32 A I S < S- 0 0 27 -3,-0.9 2,-0.3 -6,-0.3 70,-0.1 -0.244 79.4-111.4 -66.5 149.2 91.3 228.9 162.5 32 33 A L E -b 101 0B 43 68,-0.8 70,-3.2 62,-0.1 2,-0.4 -0.617 33.9-148.9 -81.6 137.2 89.4 227.0 159.9 33 34 A V E -b 102 0B 55 -2,-0.3 2,-0.5 68,-0.2 70,-0.2 -0.915 17.1-174.9-119.5 136.5 89.0 223.2 160.5 34 35 A W E -b 103 0B 33 68,-2.4 70,-2.2 -2,-0.4 2,-0.8 -0.981 20.7-141.0-121.4 125.9 88.8 220.3 158.2 35 36 A N E -b 104 0B 48 -2,-0.5 70,-0.2 68,-0.2 68,-0.1 -0.801 29.9-120.1 -91.2 115.4 88.2 216.8 159.6 36 37 A L - 0 0 6 68,-2.6 70,-0.4 -2,-0.8 71,-0.1 -0.167 19.3-130.0 -53.5 137.8 90.2 214.3 157.6 37 38 A T > - 0 0 35 49,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.470 33.7 -99.1 -82.4 160.9 88.4 211.5 155.8 38 39 A P H > S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.923 124.0 46.2 -48.3 -53.8 89.8 208.0 156.3 39 40 A R H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.889 111.7 53.1 -60.7 -35.6 91.8 207.8 153.1 40 41 A Q H > S+ 0 0 1 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.871 103.3 57.2 -65.2 -36.9 93.2 211.3 153.9 41 42 A L H X S+ 0 0 28 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.902 108.1 48.1 -60.3 -39.3 94.3 210.1 157.3 42 43 A C H X S+ 0 0 16 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.951 115.8 42.9 -64.5 -49.7 96.3 207.4 155.6 43 44 A D H >X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.954 110.6 54.7 -61.5 -52.1 97.8 209.8 153.1 44 45 A I H 3X S+ 0 0 0 -4,-3.8 4,-2.5 1,-0.2 -1,-0.2 0.848 107.5 52.5 -51.7 -35.8 98.5 212.5 155.8 45 46 A E H 3X S+ 0 0 9 -4,-1.6 4,-1.5 -5,-0.3 6,-0.3 0.873 109.5 47.3 -71.2 -35.2 100.4 209.9 157.8 46 47 A L H << S+ 0 0 0 -4,-1.5 6,-2.3 -3,-0.6 4,-0.2 0.695 113.9 48.7 -78.2 -20.4 102.6 208.9 154.9 47 48 A I H >< S+ 0 0 0 -4,-1.7 3,-1.0 4,-0.2 -36,-0.4 0.924 112.2 46.4 -82.9 -48.2 103.3 212.6 154.1 48 49 A L H 3< S+ 0 0 0 -4,-2.5 -37,-1.5 1,-0.2 -36,-1.2 0.817 114.0 48.0 -63.8 -31.0 104.2 213.6 157.6 49 50 A N B 3< S-A 10 0A 1 -4,-1.5 127,-0.4 -39,-0.2 -39,-0.3 0.467 115.6-105.6 -92.6 2.1 106.5 210.6 158.3 50 51 A G S X S+ 0 0 0 -3,-1.0 3,-1.9 -41,-0.6 -41,-0.4 0.346 86.0 121.9 94.9 -9.9 108.6 210.8 155.1 51 52 A G T 3 S+ 0 0 0 -6,-0.3 228,-0.2 1,-0.3 -4,-0.2 0.793 80.1 44.1 -56.6 -30.5 106.9 207.8 153.4 52 53 A F T > S- 0 0 0 -6,-2.3 3,-2.7 3,-0.1 -1,-0.3 0.022 98.0-168.7-102.9 25.8 105.9 210.0 150.5 53 54 A S T < + 0 0 0 -3,-1.9 -49,-0.2 1,-0.4 226,-0.1 -0.346 68.4 32.4 -55.2 138.9 109.2 211.8 150.2 54 55 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.4 0, 0.0 -49,-0.1 -0.986 101.9 93.6 -81.1 1.3 109.7 214.2 148.5 55 56 A L < + 0 0 9 -3,-2.7 -3,-0.1 1,-0.1 -5,-0.1 -0.106 38.7 174.8 -52.7 150.8 106.1 215.3 149.2 56 57 A T - 0 0 48 1,-0.2 101,-3.1 99,-0.1 2,-0.3 0.075 68.1 -5.6-141.8 20.7 105.5 217.8 152.1 57 58 A G E S-C 156 0B 7 99,-0.3 2,-0.4 26,-0.1 99,-0.2 -0.966 97.4 -49.2 174.5-171.1 101.8 218.4 151.6 58 59 A F E S-C 155 0B 3 97,-1.4 97,-2.5 -2,-0.3 26,-0.2 -0.749 70.1 -93.5 -89.8 135.3 98.9 217.8 149.3 59 60 A L - 0 0 8 24,-2.3 26,-0.3 -2,-0.4 -1,-0.1 -0.106 33.0-141.1 -50.8 130.5 99.5 218.4 145.6 60 61 A N > - 0 0 28 94,-0.2 4,-3.1 93,-0.1 5,-0.2 -0.300 38.9 -91.6 -80.4 174.1 98.6 221.8 144.2 61 62 A E H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.877 124.5 55.9 -57.9 -39.3 97.1 222.0 140.7 62 63 A N H > S+ 0 0 103 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.929 116.1 34.2 -59.8 -50.1 100.5 222.4 139.1 63 64 A D H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.890 116.2 58.6 -72.9 -38.6 102.0 219.2 140.6 64 65 A Y H X S+ 0 0 15 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.900 109.4 41.2 -57.2 -47.0 98.7 217.4 140.5 65 66 A S H X S+ 0 0 48 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.807 110.6 58.0 -73.5 -30.0 98.2 217.8 136.7 66 67 A S H X S+ 0 0 18 -4,-1.2 4,-2.6 -5,-0.3 6,-1.0 0.913 109.0 45.9 -64.2 -40.7 101.9 217.0 136.1 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 4,-0.2 -2,-0.2 0.853 112.7 50.8 -68.7 -37.3 101.3 213.7 137.9 68 69 A V H < S+ 0 0 5 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.944 126.6 23.1 -67.0 -48.4 98.1 213.0 136.0 69 70 A T H < S+ 0 0 83 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.642 136.7 29.1 -94.8 -17.3 99.6 213.6 132.5 70 71 A D H < S- 0 0 97 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.482 86.4-127.8-122.4 -3.0 103.3 213.0 133.2 71 72 A S S < S+ 0 0 13 -4,-1.2 8,-1.6 -5,-0.3 2,-0.3 0.842 84.3 95.5 55.9 28.9 103.6 210.5 136.0 72 73 A R B S-G 78 0C 65 -6,-1.0 -2,-0.3 6,-0.3 6,-0.2 -0.992 81.6-109.8-149.2 153.3 105.9 213.2 137.4 73 74 A L > - 0 0 12 4,-2.7 3,-2.6 -2,-0.3 -10,-0.1 -0.339 51.6 -94.7 -72.6 164.1 105.8 216.1 139.8 74 75 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.1 2,-0.1 -11,-0.1 0.844 126.9 56.7 -50.8 -37.5 106.1 219.5 138.1 75 76 A D T 3 S- 0 0 118 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.288 123.5-101.3 -80.4 10.3 109.8 219.4 138.8 76 77 A G S < S+ 0 0 35 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.284 71.7 147.1 91.9 -13.5 110.3 216.1 137.0 77 78 A T - 0 0 30 1,-0.1 -4,-2.7 -5,-0.1 2,-0.4 -0.380 59.0-106.7 -60.6 129.8 110.5 213.9 140.0 78 79 A L B +G 72 0C 1 -6,-0.2 2,-0.3 241,-0.2 -6,-0.3 -0.443 58.8 148.0 -61.7 116.7 109.0 210.4 139.2 79 80 A W - 0 0 0 -8,-1.6 -9,-0.1 -2,-0.4 -3,-0.1 -0.870 22.4-179.0-155.7 116.3 105.6 210.1 140.9 80 81 A T + 0 0 0 -2,-0.3 -9,-0.1 188,-0.3 189,-0.1 0.653 61.7 62.9 -95.9 -16.9 102.6 208.2 139.7 81 82 A I S S- 0 0 0 187,-0.1 2,-0.3 188,-0.1 -1,-0.1 -0.935 76.6-128.9-115.5 123.1 99.7 208.6 142.1 82 83 A P - 0 0 3 0, 0.0 2,-0.8 0, 0.0 -18,-0.1 -0.494 17.2-159.3 -70.6 125.6 98.2 212.0 142.8 83 84 A I + 0 0 0 -2,-0.3 -24,-2.3 -26,-0.1 2,-0.3 -0.887 27.5 160.2-107.3 105.6 98.0 212.7 146.5 84 85 A T - 0 0 3 -2,-0.8 2,-0.8 -26,-0.2 70,-0.1 -0.844 45.6-123.1-125.3 161.5 95.3 215.4 147.1 85 86 A L - 0 0 1 -2,-0.3 68,-2.1 -26,-0.3 2,-0.5 -0.889 34.2-159.9-104.1 102.1 93.1 216.9 149.8 86 87 A D E +D 152 0B 4 -2,-0.8 66,-0.3 66,-0.2 2,-0.2 -0.734 18.2 165.5 -88.2 123.8 89.6 216.6 148.4 87 88 A V E -D 151 0B 1 64,-3.7 64,-2.1 -2,-0.5 63,-0.3 -0.771 34.1 -99.1-128.9 174.5 86.9 218.8 150.0 88 89 A D > - 0 0 82 -2,-0.2 4,-3.0 61,-0.2 3,-0.3 -0.552 36.8-104.7 -93.6 160.4 83.3 219.9 149.2 89 90 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.877 117.6 60.0 -48.6 -44.5 82.2 223.2 147.6 90 91 A A H 4 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.935 114.1 33.7 -50.2 -56.2 81.0 224.5 151.0 91 92 A F H >4 S+ 0 0 15 -3,-0.3 3,-1.6 1,-0.2 4,-0.3 0.884 112.9 61.1 -69.9 -40.3 84.4 224.2 152.6 92 93 A A H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.873 99.2 58.7 -54.0 -39.2 86.3 225.1 149.4 93 94 A N T 3< S+ 0 0 120 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.616 96.7 60.7 -68.3 -15.7 84.6 228.5 149.4 94 95 A Q T < S+ 0 0 121 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.419 96.9 73.5 -93.2 1.5 85.9 229.5 152.8 95 96 A I < + 0 0 16 -3,-1.4 24,-0.1 -4,-0.3 3,-0.1 -0.908 48.5 173.2-123.9 148.1 89.6 229.3 151.8 96 97 A K > - 0 0 152 -2,-0.3 3,-1.6 1,-0.1 20,-0.2 -0.831 49.3 -67.2-136.1 170.0 92.0 231.4 149.7 97 98 A P T 3 S+ 0 0 67 0, 0.0 20,-0.2 0, 0.0 -1,-0.1 -0.237 119.5 29.0 -60.7 158.5 95.7 231.1 149.2 98 99 A D T 3 S+ 0 0 142 18,-2.3 19,-0.1 1,-0.3 57,-0.0 0.208 90.7 130.6 77.4 -15.8 97.9 231.9 152.2 99 100 A T < - 0 0 35 -3,-1.6 17,-2.9 16,-0.1 2,-0.5 -0.344 52.2-138.6 -67.3 151.1 95.1 230.7 154.5 100 101 A R E - E 0 115B 73 15,-0.2 -68,-0.8 -3,-0.1 2,-0.3 -0.964 18.5-168.0-116.0 122.7 96.1 228.2 157.3 101 102 A I E -bE 32 114B 0 13,-2.5 13,-2.4 -2,-0.5 2,-0.6 -0.851 18.4-131.2-112.4 146.9 93.8 225.3 158.0 102 103 A A E -bE 33 113B 0 -70,-3.2 -68,-2.4 -2,-0.3 2,-0.7 -0.834 17.9-149.9 -96.2 123.4 93.8 222.9 161.0 103 104 A L E -bE 34 112B 0 9,-3.2 8,-3.6 -2,-0.6 9,-1.3 -0.839 21.0-172.9 -99.2 112.2 93.6 219.3 160.0 104 105 A F E -bE 35 110B 22 -70,-2.2 -68,-2.6 -2,-0.7 2,-0.5 -0.641 21.9-140.4-103.2 160.5 91.8 217.1 162.6 105 106 A Q E >> S- E 0 109B 12 4,-2.9 4,-2.9 -2,-0.2 3,-1.3 -0.981 90.5 -5.9-117.2 125.3 91.2 213.5 163.2 106 107 A D T 34 S- 0 0 107 -2,-0.5 -1,-0.2 -70,-0.4 -71,-0.1 0.831 117.2 -78.3 60.1 33.7 87.7 212.5 164.6 107 108 A D T 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 -72,-0.1 0.857 131.4 64.3 40.7 45.6 87.0 216.2 165.0 108 109 A E T <4 S+ 0 0 141 -3,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.416 79.6 67.8-158.7 -41.0 89.1 216.1 168.1 109 110 A I E < S-E 105 0B 28 -4,-2.9 -4,-2.9 55,-0.0 2,-0.5 -0.854 72.0-138.1 -99.1 119.2 92.8 215.2 167.5 110 111 A P E +E 104 0B 8 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.641 25.0 175.8 -77.5 123.0 94.7 218.0 165.6 111 112 A I E - 0 0 0 -8,-3.6 49,-2.8 -2,-0.5 50,-1.8 0.891 52.7 -32.2 -92.9 -49.7 97.0 216.4 163.1 112 113 A A E -EF 103 159B 0 -9,-1.3 -9,-3.2 47,-0.2 2,-0.5 -0.965 49.3-107.3-160.7 176.5 98.7 219.2 161.2 113 114 A I E -EF 102 158B 0 45,-2.2 45,-1.1 -2,-0.3 2,-0.5 -0.980 29.1-156.8-119.0 123.4 98.4 222.7 159.8 114 115 A L E -EF 101 157B 0 -13,-2.4 -13,-2.5 -2,-0.5 2,-0.7 -0.868 5.5-149.5-101.8 127.9 98.1 223.0 156.1 115 116 A T E -EF 100 156B 34 41,-3.0 41,-1.4 -2,-0.5 -15,-0.2 -0.886 27.7-123.3 -99.5 113.3 99.1 226.3 154.4 116 117 A V E + F 0 155B 3 -17,-2.9 -18,-2.3 -2,-0.7 39,-0.3 -0.269 37.4 168.4 -62.5 132.6 97.0 226.8 151.4 117 118 A Q E - 0 0 95 37,-2.7 2,-0.3 1,-0.4 38,-0.2 0.658 69.2 -21.6-109.7 -35.5 98.6 227.2 148.0 118 119 A D E - F 0 154B 32 36,-1.5 36,-1.0 -22,-0.1 -1,-0.4 -0.984 45.6-138.5-168.7 163.5 95.5 226.9 145.8 119 120 A V E + F 0 153B 48 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.959 35.3 168.7-131.4 110.7 91.9 225.6 145.6 120 121 A Y E - F 0 152B 10 32,-2.0 32,-3.0 -2,-0.4 -2,-0.0 -0.850 36.7-129.1-126.2 161.6 91.0 223.9 142.3 121 122 A K - 0 0 131 -2,-0.3 30,-0.2 30,-0.2 29,-0.1 -0.836 32.9-147.4-110.4 94.1 88.2 221.8 140.8 122 123 A P - 0 0 14 0, 0.0 2,-1.3 0, 0.0 3,-0.1 -0.159 18.1-118.0 -59.3 149.9 89.8 218.8 139.1 123 124 A N >> - 0 0 88 1,-0.2 4,-1.7 2,-0.0 3,-0.9 -0.768 28.6-166.0 -87.9 93.2 88.3 217.1 136.0 124 125 A K H 3> S+ 0 0 15 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.763 81.4 63.2 -54.9 -25.8 87.6 213.7 137.6 125 126 A T H 3> S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 105.1 44.7 -67.5 -40.1 87.1 212.2 134.2 126 127 A I H <>>S+ 0 0 78 -3,-0.9 4,-4.2 2,-0.2 5,-0.5 0.929 114.4 47.5 -67.6 -48.3 90.7 212.9 133.1 127 128 A E H X>S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 5,-1.0 0.945 113.6 50.4 -57.3 -47.6 92.2 211.7 136.4 128 129 A A H X5S+ 0 0 4 -4,-2.7 6,-2.8 -5,-0.2 4,-0.7 0.899 119.1 36.2 -58.2 -44.1 90.0 208.6 136.1 129 130 A E H X5S+ 0 0 120 -4,-2.2 4,-0.8 4,-0.3 -2,-0.2 0.925 123.7 38.2 -80.0 -45.2 91.1 207.9 132.6 130 131 A K H <5S+ 0 0 124 -4,-4.2 -3,-0.2 -5,-0.1 -2,-0.2 0.863 128.9 30.3 -75.3 -36.3 94.8 208.9 132.7 131 132 A V H < - 0 0 35 -2,-0.5 3,-2.1 -3,-0.3 6,-0.3 -0.325 48.9-142.1 -57.1 119.4 86.8 201.7 133.8 136 137 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.635 99.6 58.3 -56.5 -16.0 83.9 202.9 136.1 137 138 A E T 3 S+ 0 0 83 4,-0.1 -2,-0.1 5,-0.1 5,-0.1 0.645 75.3 114.6 -91.1 -15.4 84.2 199.7 138.1 138 139 A H S <> S- 0 0 2 -3,-2.1 4,-2.2 1,-0.1 3,-0.5 -0.323 73.0-128.6 -55.3 129.5 87.9 200.3 138.9 139 140 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 106.4 50.3 -49.3 -46.0 88.0 200.9 142.8 140 141 A A H > S+ 0 0 4 123,-0.6 4,-2.4 1,-0.2 5,-0.1 0.883 111.5 48.5 -63.3 -37.6 90.0 204.1 142.5 141 142 A I H > S+ 0 0 6 -3,-0.5 4,-1.7 -6,-0.3 -1,-0.2 0.854 109.6 51.3 -71.1 -36.3 87.5 205.6 140.0 142 143 A S H X S+ 0 0 51 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.902 112.0 47.6 -67.6 -40.4 84.5 204.7 142.0 143 144 A Y H X>S+ 0 0 38 -4,-2.2 5,-2.9 -5,-0.2 4,-2.9 0.960 109.2 54.3 -63.4 -49.5 86.0 206.3 145.1 144 145 A L H <5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.4 32.2 -54.2 -37.9 86.9 209.4 143.0 145 146 A F H <5S+ 0 0 94 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.780 130.1 31.7 -93.4 -27.9 83.3 209.9 141.8 146 147 A N H <5S+ 0 0 126 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.652 133.7 17.0-105.3 -17.1 81.3 208.6 144.8 147 148 A V T <5S+ 0 0 90 -4,-2.9 -3,-0.2 -5,-0.3 -4,-0.1 0.665 99.4 90.4-123.1 -37.4 83.4 209.4 147.9 148 149 A A S > + 0 0 42 -2,-0.4 4,-1.2 1,-0.1 3,-0.6 0.839 69.9 172.2 53.7 42.4 99.5 197.4 166.8 169 170 A P T 34 S+ 0 0 104 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.860 75.9 47.9 -48.1 -42.1 101.4 200.3 168.5 170 171 A G T 34 S+ 0 0 43 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.884 109.4 52.7 -71.0 -33.2 104.7 198.4 168.1 171 172 A L T <4 S+ 0 0 40 -3,-0.6 2,-2.2 1,-0.2 86,-2.1 0.656 78.0 86.7 -81.8 -19.2 104.3 197.4 164.5 172 173 A R < - 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