==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-APR-99 1CJM . COMPND 2 MOLECULE: PROTEIN (ARYL SULFOTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.BIDWELL,M.E.MCMANUS,A.GAEDIGK,Y.KAKUTA,M.NEGISHI, . 223 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 1 0.4 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 2 0 0 1 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 . 1 0 0 1 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 8 A S 0 0 131 0, 0.0 125,-0.2 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 17.2 -29.8 47.9 41.1 2 9 A R - 0 0 58 123,-1.0 127,-0.4 1,-0.1 124,-0.1 0.968 360.0-163.8 60.0 62.8 -28.9 44.5 42.3 3 10 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.328 20.3 -98.7 -69.5 155.4 -30.2 42.5 39.3 4 11 A P - 0 0 110 0, 0.0 11,-0.6 0, 0.0 2,-0.3 -0.096 45.5 -87.3 -69.7 169.8 -30.8 38.7 39.4 5 12 A L E -A 14 0A 37 9,-0.1 2,-0.5 139,-0.1 9,-0.2 -0.632 35.5-148.5 -83.5 133.5 -28.4 36.1 38.0 6 13 A E E -A 13 0A 39 7,-2.6 7,-1.4 -2,-0.3 2,-0.3 -0.904 14.4-136.9-103.6 127.6 -28.8 35.3 34.3 7 14 A Y E -A 12 0A 129 -2,-0.5 2,-0.4 5,-0.2 7,-0.0 -0.685 18.9-175.1 -88.7 138.0 -27.9 31.7 33.3 8 15 A V E > S-A 11 0A 41 3,-2.5 3,-1.4 -2,-0.3 -2,-0.0 -0.958 79.4 -14.1-133.4 110.6 -25.8 31.0 30.2 9 16 A K T 3 S- 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.805 129.5 -55.7 64.7 32.1 -25.3 27.3 29.4 10 17 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 138,-0.0 -3,-0.0 0.365 116.0 115.4 84.1 -5.3 -26.5 26.4 32.9 11 18 A V E < -A 8 0A 14 -3,-1.4 -3,-2.5 137,-0.1 -1,-0.2 -0.869 64.1-128.9-102.7 125.5 -23.9 28.6 34.5 12 19 A P E +A 7 0A 6 0, 0.0 135,-3.1 0, 0.0 136,-0.5 -0.458 37.1 157.1 -73.9 141.9 -25.0 31.7 36.5 13 20 A L E -A 6 0A 0 -7,-1.4 -7,-2.6 133,-0.3 2,-0.2 -0.947 46.4 -87.9-153.8 164.7 -23.5 35.1 35.8 14 21 A I E >> -A 5 0A 13 -2,-0.3 4,-1.7 -9,-0.2 3,-1.2 -0.547 46.5-106.5 -80.1 149.7 -24.4 38.7 36.2 15 22 A K H 3> S+ 0 0 41 -11,-0.6 4,-2.0 1,-0.3 3,-0.2 0.853 116.6 55.3 -39.9 -51.9 -26.5 40.3 33.4 16 23 A Y H 3> S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.818 108.9 46.6 -57.0 -37.0 -23.6 42.4 32.0 17 24 A F H <> S+ 0 0 39 -3,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.846 108.7 55.9 -75.2 -34.3 -21.3 39.4 31.6 18 25 A A H < S+ 0 0 20 -4,-1.7 3,-0.4 2,-0.2 4,-0.3 0.899 106.4 50.4 -63.4 -43.0 -24.0 37.3 29.9 19 26 A E H >< S+ 0 0 148 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.966 109.9 48.9 -59.1 -54.4 -24.5 40.0 27.3 20 27 A A H 3< S+ 0 0 19 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.657 99.9 68.8 -60.9 -16.7 -20.8 40.2 26.5 21 28 A L T 3< S+ 0 0 31 -4,-0.8 3,-0.3 -3,-0.4 4,-0.3 0.599 87.8 69.5 -78.1 -11.3 -20.8 36.4 26.2 22 29 A G S X S+ 0 0 57 -3,-2.3 3,-0.5 -4,-0.3 -1,-0.2 0.878 100.9 39.5 -73.0 -46.6 -22.9 36.7 23.1 23 30 A P G > S+ 0 0 89 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.240 93.7 93.5 -86.0 9.4 -20.2 38.2 20.7 24 31 A L G > + 0 0 25 -3,-0.3 3,-1.5 1,-0.2 -2,-0.1 0.783 69.1 67.9 -73.3 -28.3 -17.6 35.9 22.3 25 32 A Q G < S+ 0 0 98 -3,-0.5 -1,-0.2 -4,-0.3 -3,-0.1 0.294 91.0 66.0 -75.6 12.0 -18.1 33.2 19.6 26 33 A S G < S+ 0 0 99 -3,-0.8 2,-0.3 2,-0.0 -1,-0.3 0.157 77.7 109.9-114.9 10.5 -16.5 35.6 17.1 27 34 A F < - 0 0 35 -3,-1.5 2,-0.5 48,-0.0 68,-0.2 -0.699 53.9-155.9 -90.1 141.8 -13.1 35.5 18.8 28 35 A Q - 0 0 159 -2,-0.3 2,-0.4 67,-0.1 -2,-0.0 -0.976 10.6-144.3-121.7 119.7 -10.2 33.8 17.1 29 36 A A - 0 0 10 -2,-0.5 70,-0.0 4,-0.0 46,-0.0 -0.669 8.6-139.6 -88.2 134.7 -7.4 32.6 19.3 30 37 A R > - 0 0 73 -2,-0.4 3,-1.6 1,-0.1 69,-0.0 -0.597 22.3-118.7 -86.7 151.7 -3.8 32.8 18.1 31 38 A P T 3 S+ 0 0 87 0, 0.0 71,-0.3 0, 0.0 -1,-0.1 0.759 114.8 50.4 -61.2 -25.2 -1.4 29.8 18.9 32 39 A D T 3 S+ 0 0 64 69,-0.1 -3,-0.0 2,-0.1 69,-0.0 0.325 85.0 118.4 -96.6 5.4 0.8 32.2 20.9 33 40 A D < - 0 0 0 -3,-1.6 69,-0.8 47,-0.1 2,-0.4 -0.105 51.5-147.6 -63.6 169.0 -2.0 33.7 23.0 34 41 A L E -bc 82 102B 0 47,-1.2 49,-3.1 67,-0.1 2,-0.5 -0.970 6.4-159.6-145.8 127.3 -1.9 33.4 26.8 35 42 A L E -bc 83 103B 0 67,-2.2 69,-2.9 -2,-0.4 2,-0.6 -0.922 5.6-159.4-113.5 131.3 -4.9 33.1 29.0 36 43 A I E +bc 84 104B 0 47,-3.0 49,-2.5 -2,-0.5 2,-0.4 -0.954 24.2 175.5-106.4 114.3 -4.9 33.8 32.7 37 44 A N E +bc 85 105B 0 67,-2.1 69,-1.1 -2,-0.6 2,-0.3 -0.991 11.0 144.8-130.3 130.8 -8.0 32.1 34.2 38 45 A T E - c 0 106B 0 47,-1.3 69,-0.1 -2,-0.4 3,-0.1 -0.965 51.2 -96.1-154.3 154.7 -9.1 31.8 37.9 39 46 A Y > - 0 0 0 67,-0.6 3,-1.0 -2,-0.3 5,-0.3 -0.298 69.8 -68.0 -67.0 156.7 -12.4 31.7 39.7 40 47 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 77,-0.1 -0.169 124.3 14.0 -49.0 143.8 -13.4 35.1 41.0 41 48 A K T 3 S+ 0 0 88 -3,-0.1 75,-0.1 1,-0.1 76,-0.1 0.818 97.9 112.1 58.1 36.4 -11.1 36.3 43.9 42 49 A S S < S- 0 0 0 -3,-1.0 -3,-0.1 -4,-0.1 129,-0.1 0.169 97.2 -74.1-125.3 19.3 -8.5 33.6 43.1 43 50 A G S > S+ 0 0 8 -5,-0.1 4,-2.5 3,-0.0 5,-0.3 0.645 83.2 132.2 102.5 17.1 -5.5 35.5 41.8 44 51 A T H > S+ 0 0 3 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.976 82.2 41.1 -63.0 -56.3 -6.4 36.7 38.3 45 52 A T H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.825 115.4 53.7 -61.7 -32.0 -5.3 40.3 38.8 46 53 A W H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.992 114.8 37.2 -66.2 -60.7 -2.2 39.1 40.7 47 54 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.892 115.6 54.7 -58.4 -43.3 -1.0 36.7 38.0 48 55 A S H X S+ 0 0 8 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.892 106.1 52.6 -58.7 -40.7 -2.0 39.1 35.2 49 56 A Q H X S+ 0 0 43 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.885 111.8 46.2 -63.0 -39.7 0.0 41.8 36.7 50 57 A I H >X S+ 0 0 25 -4,-1.6 4,-1.9 2,-0.2 3,-1.1 0.973 114.3 44.9 -67.5 -55.7 3.1 39.6 36.9 51 58 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.778 107.3 62.1 -59.7 -26.1 2.8 38.3 33.3 52 59 A D H 3X S+ 0 0 71 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.3 0.846 107.3 43.9 -67.7 -34.0 2.1 41.9 32.2 53 60 A M H << S+ 0 0 142 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.844 108.9 56.0 -79.0 -37.0 5.6 42.8 33.5 54 61 A I H < S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.956 106.9 49.4 -60.0 -51.4 7.3 39.8 31.9 55 62 A Y H < 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 360.0 360.0 -58.6 -33.6 6.1 40.6 28.4 56 63 A Q < 0 0 120 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.195 360.0 360.0 -88.6 360.0 7.3 44.2 28.8 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 78 A R 0 0 112 0, 0.0 24,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.8 -3.0 45.8 28.4 59 79 A V - 0 0 26 22,-0.1 24,-0.2 24,-0.1 2,-0.1 -0.845 360.0-159.5-102.9 94.4 -4.5 42.6 29.8 60 80 A P - 0 0 35 0, 0.0 24,-2.2 0, 0.0 2,-0.3 -0.459 20.0-113.4 -74.2 145.8 -8.1 42.8 28.7 61 81 A F B > -d 84 0B 61 22,-0.2 3,-0.8 -2,-0.1 24,-0.2 -0.636 19.4-142.5 -78.8 133.2 -10.9 40.9 30.4 62 82 A L T 3 S+ 0 0 37 22,-2.9 23,-0.1 -2,-0.3 -1,-0.1 0.807 96.9 37.6 -67.2 -29.3 -12.3 38.3 28.0 63 83 A E T 3 S+ 0 0 3 21,-0.3 2,-0.3 -42,-0.0 -43,-0.2 0.182 96.3 99.7-110.6 15.7 -15.9 38.7 29.1 64 84 A V < - 0 0 73 -3,-0.8 2,-0.3 -44,-0.1 -47,-0.1 -0.687 40.9-177.1-105.7 156.3 -16.1 42.5 29.7 65 85 A N - 0 0 68 -2,-0.3 -45,-0.1 7,-0.0 -46,-0.0 -0.867 15.7-152.9-150.7 107.5 -17.5 45.3 27.6 66 86 A D > - 0 0 56 3,-0.5 3,-2.5 -2,-0.3 -2,-0.0 -0.804 29.7-127.0 -85.7 101.3 -17.1 48.9 28.9 67 87 A P T 3 S+ 0 0 131 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.219 95.0 23.6 -50.4 131.7 -20.1 50.6 27.2 68 88 A G T 3 S+ 0 0 76 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.341 110.6 92.6 90.5 -5.2 -19.0 53.7 25.4 69 89 A E < 0 0 153 -3,-2.5 -3,-0.5 1,-0.0 -1,-0.1 -0.957 360.0 360.0-134.4 119.0 -15.5 52.3 25.1 70 90 A P 0 0 106 0, 0.0 -2,-0.0 0, 0.0 -5,-0.0 0.119 360.0 360.0 27.8 360.0 -13.9 50.2 22.3 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 94 A E > 0 0 105 0, 0.0 4,-0.5 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 -63.9 -12.8 43.9 20.2 73 95 A T T 4 + 0 0 80 2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.688 360.0 59.0 -85.3 -22.1 -9.6 45.7 21.2 74 96 A L T >4 S+ 0 0 20 2,-0.2 3,-2.0 1,-0.2 -1,-0.1 0.865 99.6 55.8 -72.9 -39.3 -7.7 42.4 21.7 75 97 A K T 34 S+ 0 0 66 1,-0.3 -1,-0.2 -46,-0.0 -2,-0.2 0.863 109.4 49.0 -60.2 -33.0 -8.3 41.4 18.0 76 98 A D T 3< S+ 0 0 84 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.260 95.9 106.5 -89.3 11.0 -6.6 44.8 17.2 77 99 A T S < S- 0 0 48 -3,-2.0 4,-0.1 1,-0.0 -3,-0.1 -0.721 73.6-113.6-100.1 142.3 -3.7 43.9 19.6 78 100 A P - 0 0 99 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.500 52.7 -73.9 -72.2 133.5 -0.1 42.9 18.6 79 101 A P S S+ 0 0 73 0, 0.0 -46,-0.1 0, 0.0 2,-0.1 -0.315 107.6 56.1 -68.2 151.8 1.0 39.3 19.4 80 102 A P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 0.483 82.2-161.7 -81.0 136.2 1.8 37.7 21.8 81 103 A R - 0 0 4 -4,-0.1 -47,-1.2 -2,-0.1 2,-0.5 -0.599 12.4-148.1 -89.6 145.8 -1.5 38.6 23.4 82 104 A L E -b 34 0B 13 -24,-0.4 2,-0.4 -2,-0.2 -47,-0.2 -0.949 19.6-177.5-110.5 124.2 -2.4 38.4 27.1 83 105 A I E -b 35 0B 6 -49,-3.1 -47,-3.0 -2,-0.5 2,-0.4 -0.987 6.1-166.3-126.6 133.6 -6.0 37.5 27.9 84 106 A K E +bd 36 61B 32 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.3 -0.918 16.0 156.0-120.0 147.7 -7.6 37.3 31.4 85 107 A S E -b 37 0B 0 -49,-2.5 -47,-1.3 -2,-0.4 -2,-0.0 -0.989 41.1-152.9-162.7 160.0 -10.9 35.8 32.4 86 108 A H + 0 0 28 -2,-0.3 -49,-0.1 -49,-0.2 -1,-0.1 0.311 58.4 131.9-114.0 -3.4 -12.9 34.2 35.2 87 109 A L - 0 0 7 -48,-0.1 5,-0.1 1,-0.1 -2,-0.1 -0.240 58.1-121.2 -55.9 134.3 -15.1 32.2 32.8 88 110 A P >> - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.282 28.5-103.6 -72.1 163.3 -15.5 28.5 33.5 89 111 A L G >4 S+ 0 0 34 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.833 121.0 62.9 -57.0 -31.7 -14.4 25.9 31.0 90 112 A A G 34 S+ 0 0 34 1,-0.2 -1,-0.3 -80,-0.0 -79,-0.0 0.781 113.4 32.2 -65.4 -28.5 -18.1 25.5 30.0 91 113 A L G <4 S+ 0 0 25 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.294 90.8 121.1-110.9 5.5 -18.3 29.1 28.8 92 114 A L S << S- 0 0 10 -3,-0.7 5,-0.1 -4,-0.6 -3,-0.0 -0.538 77.2 -95.7 -75.6 135.9 -14.8 29.5 27.5 93 115 A P >> - 0 0 13 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.279 29.2-136.2 -51.8 124.6 -14.4 30.4 23.8 94 116 A Q H 3> S+ 0 0 135 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.780 99.3 67.9 -54.4 -34.8 -13.8 27.1 21.9 95 117 A T H 3> S+ 0 0 31 1,-0.2 4,-2.5 -68,-0.2 -1,-0.3 0.832 94.3 58.7 -57.5 -32.6 -11.1 28.7 19.8 96 118 A L H <4>S+ 0 0 2 -3,-1.4 5,-1.8 1,-0.2 -1,-0.2 0.884 110.6 40.6 -64.9 -40.7 -8.9 28.9 22.9 97 119 A L H ><5S+ 0 0 31 -4,-0.7 3,-0.9 -3,-0.5 -2,-0.2 0.833 114.1 55.2 -76.8 -33.5 -9.1 25.1 23.4 98 120 A D H 3<5S+ 0 0 63 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.975 107.8 45.4 -63.8 -57.0 -8.7 24.4 19.7 99 121 A Q T 3<5S- 0 0 91 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 0.288 108.4-126.1 -72.6 12.9 -5.4 26.3 19.2 100 122 A K T < 5 - 0 0 116 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.846 39.2-170.0 42.7 46.3 -4.1 24.7 22.4 101 123 A V < - 0 0 0 -5,-1.8 2,-0.2 -6,-0.2 -1,-0.1 -0.361 26.8-103.0 -67.3 143.5 -3.3 28.1 23.9 102 124 A K E -c 34 0B 59 -69,-0.8 -67,-2.2 -71,-0.3 2,-0.4 -0.480 40.0-162.9 -68.7 132.6 -1.2 28.1 27.1 103 125 A V E -ce 35 166B 2 62,-2.4 64,-3.7 -2,-0.2 2,-0.7 -0.966 16.8-155.9-124.3 136.8 -3.2 28.9 30.2 104 126 A V E -ce 36 167B 0 -69,-2.9 -67,-2.1 -2,-0.4 2,-0.4 -0.942 24.4-177.2-109.1 105.7 -2.1 30.0 33.7 105 127 A Y E -ce 37 168B 0 62,-1.8 64,-3.4 -2,-0.7 2,-0.4 -0.862 10.6-160.9-107.5 142.4 -4.9 28.9 36.1 106 128 A V E -ce 38 169B 0 -69,-1.1 -67,-0.6 -2,-0.4 2,-0.5 -0.987 0.6-162.4-127.4 126.1 -4.9 29.6 39.9 107 129 A A E - e 0 170B 0 62,-2.7 64,-2.4 -2,-0.4 65,-0.4 -0.915 11.5-166.6-107.9 130.9 -7.0 27.7 42.5 108 130 A R - 0 0 31 -2,-0.5 -66,-0.1 62,-0.2 46,-0.0 -0.736 37.6 -77.4-113.4 162.2 -7.5 29.2 45.9 109 131 A N > - 0 0 31 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.386 40.2-133.1 -58.7 130.1 -8.9 27.8 49.2 110 132 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.896 103.5 51.3 -51.2 -49.0 -12.7 27.5 48.9 111 133 A K H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 110.2 47.4 -61.9 -39.4 -13.3 29.1 52.3 112 134 A D H > S+ 0 0 25 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.864 112.0 50.9 -70.7 -35.8 -11.1 32.2 51.6 113 135 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.901 108.6 51.7 -67.0 -42.3 -12.8 32.7 48.2 114 136 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.930 111.9 45.9 -60.2 -47.2 -16.3 32.5 49.8 115 137 A V H X S+ 0 0 11 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.915 117.3 43.4 -63.2 -45.8 -15.4 35.1 52.4 116 138 A S H X S+ 0 0 34 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 113.3 50.7 -67.3 -42.5 -13.7 37.5 49.8 117 139 A Y H X S+ 0 0 2 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.837 108.0 55.6 -65.1 -32.2 -16.5 37.0 47.2 118 140 A Y H X S+ 0 0 18 -4,-1.9 4,-1.4 -5,-0.2 3,-0.2 0.971 109.5 43.7 -63.6 -53.8 -19.0 37.8 50.0 119 141 A H H X S+ 0 0 102 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.832 111.9 55.2 -60.8 -33.6 -17.4 41.2 50.8 120 142 A F H X S+ 0 0 58 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.879 103.7 54.5 -67.1 -38.3 -17.0 41.8 47.1 121 143 A H H < S+ 0 0 2 -4,-1.9 6,-0.2 -3,-0.2 -1,-0.2 0.839 108.1 50.2 -63.5 -33.8 -20.8 41.3 46.6 122 144 A R H < S+ 0 0 158 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.882 116.5 39.6 -71.5 -40.9 -21.4 43.9 49.3 123 145 A M H < S+ 0 0 158 -4,-1.8 2,-1.2 1,-0.2 -2,-0.2 0.882 105.2 70.4 -75.1 -43.0 -19.1 46.5 47.7 124 146 A E >< - 0 0 66 -4,-3.1 3,-1.7 -5,-0.2 -1,-0.2 -0.663 64.1-171.3 -83.2 97.3 -20.2 45.8 44.1 125 147 A K T 3 S+ 0 0 156 -2,-1.2 -123,-1.0 1,-0.3 -1,-0.1 0.366 79.1 65.4 -71.0 3.8 -23.7 47.1 43.8 126 148 A A T 3 S+ 0 0 45 -125,-0.2 -1,-0.3 -124,-0.1 -111,-0.2 0.531 87.1 86.3 -99.7 -10.9 -24.3 45.5 40.4 127 149 A H S < S- 0 0 6 -3,-1.7 -122,-0.0 -6,-0.2 -125,-0.0 -0.452 95.6 -87.4 -83.3 158.7 -24.0 42.0 41.8 128 150 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -126,-0.1 -0.274 57.4 -81.9 -65.6 156.6 -27.1 40.2 43.3 129 151 A E - 0 0 122 -127,-0.4 -7,-0.1 1,-0.2 -4,-0.0 -0.461 38.6-163.1 -61.7 116.1 -27.9 40.9 47.0 130 152 A P - 0 0 6 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 0.744 21.0-170.1 -73.1 -24.0 -25.6 38.5 49.0 131 153 A G - 0 0 29 4,-0.1 2,-0.1 5,-0.1 -9,-0.0 -0.417 48.3 -2.7 69.2-142.6 -27.7 38.9 52.1 132 154 A T S > S- 0 0 81 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.374 74.1-109.7 -79.5 161.5 -26.3 37.4 55.4 133 155 A W H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.871 122.6 50.3 -58.4 -36.7 -23.0 35.5 55.5 134 156 A D H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.890 109.8 49.7 -69.6 -38.7 -25.0 32.3 56.1 135 157 A S H > S+ 0 0 58 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.932 115.3 44.2 -64.0 -46.1 -27.3 33.0 53.2 136 158 A F H >X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 3,-0.7 0.948 108.5 54.7 -64.0 -53.3 -24.4 33.6 50.9 137 159 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.839 106.6 55.2 -50.3 -34.6 -22.3 30.7 52.0 138 160 A E H 3X S+ 0 0 69 -4,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.891 109.7 44.9 -67.1 -40.2 -25.3 28.5 51.2 139 161 A K H <<>S+ 0 0 70 -4,-1.3 5,-2.5 -3,-0.7 4,-0.2 0.913 109.8 54.7 -68.8 -45.4 -25.4 29.9 47.6 140 162 A F H ><5S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 10,-0.5 0.917 109.9 46.9 -53.7 -47.7 -21.6 29.5 47.2 141 163 A M H 3<5S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 114.0 48.2 -64.3 -33.0 -21.9 25.8 48.1 142 164 A A T 3<5S- 0 0 69 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.346 111.7-123.6 -88.4 5.2 -24.8 25.5 45.8 143 165 A G T < 5 + 0 0 8 -3,-1.3 2,-1.3 -4,-0.2 -3,-0.2 0.674 66.8 141.5 60.6 17.5 -22.8 27.2 43.0 144 166 A E < + 0 0 86 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.290 42.8 95.0 -86.3 51.2 -25.7 29.7 42.8 145 167 A V S > S- 0 0 2 -2,-1.3 3,-2.6 -6,-0.2 2,-0.1 -0.896 90.3 -66.4-136.1 165.6 -23.3 32.6 42.3 146 168 A S T 3 S+ 0 0 0 -2,-0.3 -133,-0.3 1,-0.3 -2,-0.0 -0.328 124.6 17.6 -57.0 124.9 -21.8 34.6 39.4 147 169 A Y T 3 S- 0 0 7 -135,-3.1 -1,-0.3 -108,-0.1 -134,-0.2 0.354 113.9-116.9 90.0 0.7 -19.5 32.3 37.4 148 170 A G < + 0 0 3 -3,-2.6 -5,-0.2 -136,-0.5 -4,-0.1 -0.167 66.3 7.8 73.5-164.5 -21.1 29.2 39.0 149 171 A S > - 0 0 26 -6,-0.2 4,-2.3 -7,-0.2 5,-0.2 -0.276 48.5-153.0 -57.4 129.6 -19.8 26.5 41.2 150 172 A W H > S+ 0 0 0 -10,-0.5 4,-3.0 2,-0.2 5,-0.3 0.881 97.9 58.2 -68.2 -39.4 -16.2 26.9 42.5 151 173 A Y H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 111.2 38.5 -57.6 -50.6 -16.0 23.1 42.7 152 174 A Q H > S+ 0 0 109 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.958 115.9 52.2 -66.1 -50.2 -16.7 22.6 39.0 153 175 A H H X S+ 0 0 2 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.917 116.8 40.3 -50.6 -48.1 -14.7 25.6 37.9 154 176 A V H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.858 118.8 44.9 -72.3 -38.1 -11.7 24.3 39.9 155 177 A Q H X S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.3 3,-0.2 0.887 109.6 53.1 -75.6 -42.5 -12.1 20.6 39.0 156 178 A E H X S+ 0 0 67 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.904 109.6 48.1 -61.4 -42.5 -12.7 21.0 35.3 157 179 A W H X S+ 0 0 0 -4,-1.2 4,-1.3 -5,-0.4 -1,-0.2 0.732 109.4 56.0 -70.2 -21.4 -9.6 23.0 34.7 158 180 A W H < S+ 0 0 33 -4,-0.6 4,-0.3 -3,-0.2 -2,-0.2 0.899 110.7 42.3 -75.0 -44.5 -7.7 20.4 36.8 159 181 A E H >< S+ 0 0 98 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.881 112.2 54.4 -68.4 -39.3 -8.8 17.6 34.4 160 182 A L H >X S+ 0 0 27 -4,-2.5 3,-1.9 1,-0.3 4,-0.5 0.870 97.6 65.1 -62.4 -35.5 -8.2 19.8 31.4 161 183 A S T 3< S+ 0 0 23 -4,-1.3 5,-0.4 1,-0.3 -1,-0.3 0.645 93.4 62.3 -62.7 -15.9 -4.6 20.4 32.6 162 184 A R T <4 S+ 0 0 143 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.693 119.6 23.3 -80.4 -21.2 -4.0 16.6 32.1 163 185 A T T <4 S+ 0 0 105 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.156 121.8 52.0-132.4 23.0 -4.7 17.0 28.3 164 186 A H S < S- 0 0 15 -4,-0.5 2,-2.2 2,-0.1 -62,-0.1 -0.985 93.4 -91.5-157.4 150.4 -4.0 20.6 27.6 165 187 A P + 0 0 42 0, 0.0 -62,-2.4 0, 0.0 2,-0.4 -0.460 68.2 146.0 -70.3 80.6 -1.2 23.2 28.1 166 188 A V E -e 103 0B 17 -2,-2.2 2,-1.0 -5,-0.4 -62,-0.2 -0.973 44.5-147.6-121.7 129.1 -2.4 24.5 31.5 167 189 A L E -e 104 0B 30 -64,-3.7 -62,-1.8 -2,-0.4 2,-0.9 -0.813 20.3-156.5 -94.9 95.0 -0.2 25.7 34.3 168 190 A Y E +e 105 0B 24 -2,-1.0 2,-0.2 -64,-0.2 -62,-0.2 -0.654 20.5 175.0 -80.3 105.0 -2.3 24.7 37.4 169 191 A L E -e 106 0B 2 -64,-3.4 -62,-2.7 -2,-0.9 2,-0.4 -0.639 25.2-132.3-106.7 164.9 -1.1 26.9 40.3 170 192 A F E >> -e 107 0B 35 -64,-0.2 4,-0.8 -2,-0.2 3,-0.6 -0.974 10.7-139.1-121.9 130.8 -2.4 27.4 43.9 171 193 A Y H >> S+ 0 0 33 -64,-2.4 4,-1.2 -2,-0.4 3,-1.0 0.859 102.0 60.0 -52.1 -43.3 -3.0 30.8 45.5 172 194 A E H >> S+ 0 0 30 -65,-0.4 4,-2.6 1,-0.3 3,-0.5 0.883 102.2 52.9 -54.5 -43.2 -1.5 29.7 48.8 173 195 A D H <> S+ 0 0 58 -3,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.706 104.6 55.5 -67.5 -23.0 1.8 29.0 47.1 174 196 A M H << S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.753 112.7 42.5 -79.6 -27.7 1.9 32.5 45.6 175 197 A K H << S+ 0 0 127 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.925 119.2 41.9 -79.2 -53.6 1.5 34.0 49.1 176 198 A E H < S+ 0 0 147 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.737 136.9 9.4 -67.8 -27.4 4.0 31.7 50.9 177 199 A N X + 0 0 77 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.2 -0.530 60.0 169.6-158.7 83.3 6.6 31.8 48.1 178 200 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.881 76.7 63.0 -61.7 -40.1 6.1 34.3 45.2 179 201 A K H >> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.949 103.5 41.4 -51.2 -66.2 9.6 33.6 43.8 180 202 A R H 3> S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.779 114.8 54.0 -58.2 -28.4 9.4 29.9 42.9 181 203 A E H 3X S+ 0 0 7 -4,-1.0 4,-2.0 -8,-0.2 -1,-0.2 0.855 105.4 51.6 -74.6 -37.4 5.9 30.5 41.4 182 204 A I H S+ 0 0 3 -4,-2.1 5,-1.7 1,-0.2 4,-1.4 0.914 111.9 48.1 -64.3 -45.8 8.5 32.0 33.3 187 209 A E H <5S+ 0 0 137 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.703 112.7 51.9 -68.9 -19.7 9.4 28.4 32.4 188 210 A F H <5S+ 0 0 49 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.928 114.7 37.2 -81.9 -50.8 5.9 27.9 31.2 189 211 A V H <5S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.655 112.5-120.1 -75.8 -14.5 5.6 30.9 28.8 190 212 A G T <5S+ 0 0 64 -4,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.718 70.6 118.1 83.4 24.1 9.2 30.4 27.9 191 213 A R < - 0 0 94 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.3 -0.692 50.0-135.6-117.5 170.0 10.7 33.8 29.0 192 214 A S 0 0 102 -2,-0.2 -9,-0.0 -138,-0.1 -5,-0.0 -0.923 360.0 360.0-129.6 155.0 13.3 34.9 31.6 193 215 A L 0 0 142 -2,-0.3 -139,-0.0 -10,-0.0 -10,-0.0 -0.442 360.0 360.0-115.9 360.0 13.6 37.6 34.3 194 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 195 262 A G 0 0 64 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 34.4 -6.8 30.9 57.6 196 263 A D > + 0 0 135 1,-0.2 3,-0.8 2,-0.1 4,-0.0 0.723 360.0 65.2 -79.5 -18.5 -8.2 34.5 57.4 197 264 A W G >> S+ 0 0 32 1,-0.2 4,-2.6 2,-0.1 3,-2.3 0.708 80.5 80.0 -71.8 -24.5 -11.6 32.8 56.8 198 265 A K G 34 S+ 0 0 142 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.764 86.0 58.2 -56.1 -28.7 -11.5 31.2 60.3 199 266 A T G <4 S+ 0 0 127 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.459 115.7 36.5 -82.4 -0.1 -12.7 34.6 61.9 200 267 A T T <4 S+ 0 0 41 -3,-2.3 2,-0.3 1,-0.1 -2,-0.2 0.719 98.9 80.1-116.5 -44.2 -15.8 34.4 59.6 201 268 A F < - 0 0 15 -4,-2.6 2,-0.2 4,-0.1 -1,-0.1 -0.523 69.2-143.5 -72.9 129.0 -16.8 30.7 59.5 202 269 A T > - 0 0 68 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.512 27.5-110.4 -84.4 160.9 -18.7 29.3 62.5 203 270 A V H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.831 121.5 52.3 -62.4 -30.1 -17.9 25.8 63.5 204 271 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 112.4 43.7 -68.8 -49.5 -21.4 24.8 62.3 205 272 A Q H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.891 113.8 51.7 -61.9 -41.3 -20.8 26.4 58.9 206 273 A N H X S+ 0 0 35 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.864 110.3 47.1 -65.7 -39.3 -17.3 24.9 58.7 207 274 A E H X S+ 0 0 130 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.888 112.9 48.8 -70.1 -39.6 -18.5 21.3 59.5 208 275 A R H X S+ 0 0 136 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.851 113.9 48.2 -67.1 -34.3 -21.3 21.6 56.9 209 276 A F H X S+ 0 0 2 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.934 110.5 49.2 -70.9 -49.0 -18.8 22.9 54.4 210 277 A D H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.838 112.4 48.4 -60.5 -36.0 -16.2 20.2 55.0 211 278 A A H X S+ 0 0 63 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.910 114.9 44.7 -70.6 -43.6 -18.8 17.4 54.7 212 279 A D H X S+ 0 0 22 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.857 115.3 49.0 -67.1 -38.2 -20.2 18.9 51.5 213 280 A Y H X S+ 0 0 55 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.903 103.8 60.1 -68.2 -42.6 -16.7 19.4 50.2 214 281 A A H < S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.0 39.2 -55.7 -35.7 -15.6 15.8 51.1 215 282 A E H >< S+ 0 0 134 -4,-1.2 3,-0.9 2,-0.2 -1,-0.2 0.863 114.5 48.7 -85.7 -38.7 -18.3 14.4 48.8 216 283 A K H 3< S+ 0 0 74 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.835 114.6 47.8 -68.7 -34.1 -18.1 16.8 45.8 217 284 A M T 3< S+ 0 0 17 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.2 0.327 82.1 128.9 -87.5 5.5 -14.4 16.4 45.7 218 285 A A S < S+ 0 0 68 -3,-0.9 3,-0.1 1,-0.2 -3,-0.1 -0.473 76.8 16.4 -63.8 123.9 -14.7 12.6 45.9 219 286 A G S S+ 0 0 85 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.993 97.1 112.2 72.8 68.6 -12.6 11.3 43.1 220 287 A C - 0 0 25 -3,-0.2 -1,-0.2 2,-0.1 -65,-0.0 -0.610 62.0-141.1-172.5 105.9 -10.4 14.3 42.2 221 288 A S + 0 0 78 -2,-0.2 -3,-0.0 -3,-0.1 -4,-0.0 0.474 60.7 128.4 -52.4 -4.9 -6.7 14.4 42.8 222 289 A L - 0 0 17 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.271 34.4-179.7 -57.8 138.1 -6.9 18.1 43.9 223 290 A S - 0 0 88 2,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.954 20.6-169.1-147.8 121.8 -5.2 18.8 47.3 224 291 A F - 0 0 27 -2,-0.3 -2,-0.0 -52,-0.0 -116,-0.0 -0.543 21.9-157.5-109.8 65.2 -5.0 22.1 49.1 225 292 A R 0 0 87 -2,-0.5 -53,-0.0 1,-0.1 -2,-0.0 -0.010 360.0 360.0 -43.1 141.1 -2.5 21.4 51.9 226 293 A S 0 0 149 -31,-0.0 -1,-0.1 -54,-0.0 -2,-0.0 0.324 360.0 360.0-104.9 360.0 -2.8 23.8 54.9