==== 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 13-APR-05 1ZD1 . COMPND 2 MOLECULE: SULFOTRANSFERASE 4A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,L.DOMBROVSKI,P.LOPPNAU,A.M.EDWARDS,C.H.ARROWSMITH,M.S . 496 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 3 0 0 3 4 2 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 13 A G 0 0 54 0, 0.0 6,-0.7 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 -68.3 4.2 34.2 -9.2 2 14 A E > + 0 0 85 4,-0.2 3,-2.1 3,-0.1 2,-0.1 0.280 360.0 138.1 -85.9 6.0 2.0 34.5 -6.1 3 15 A F G > S- 0 0 156 1,-0.3 3,-1.8 2,-0.2 4,-0.1 -0.382 82.4 -1.4 -53.3 126.8 -0.9 33.1 -8.3 4 16 A E G 3 S- 0 0 167 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.770 125.2 -74.4 60.1 27.7 -2.8 30.5 -6.1 5 17 A S G < S+ 0 0 80 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.558 90.6 143.6 66.4 17.3 -0.3 31.2 -3.3 6 18 A K S < S+ 0 0 140 -3,-1.8 2,-0.3 10,-0.1 -4,-0.2 0.837 72.5 8.2 -57.0 -37.6 2.5 29.2 -5.1 7 19 A Y S S- 0 0 22 -6,-0.7 2,-0.5 9,-0.2 -2,-0.1 -0.848 70.7-126.5-135.2 167.8 5.2 31.6 -3.9 8 20 A F E -A 15 0A 18 7,-2.9 7,-3.9 -2,-0.3 2,-0.6 -0.997 23.0-148.2-123.9 118.4 5.4 34.6 -1.5 9 21 A E E +A 14 0A 83 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.807 20.4 178.1 -93.5 115.6 6.9 37.6 -3.1 10 22 A F E > -A 13 0A 34 3,-3.0 3,-0.8 -2,-0.6 -2,-0.0 -0.943 65.7 -28.9-128.1 113.7 8.9 39.7 -0.7 11 23 A H T 3 S- 0 0 135 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.856 128.2 -43.5 47.2 44.0 10.7 42.9 -1.7 12 24 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 130,-0.0 -1,-0.2 0.562 118.1 108.8 86.3 13.8 11.3 41.5 -5.3 13 25 A V E < -A 10 0A 8 -3,-0.8 -3,-3.0 129,-0.1 2,-0.7 -0.979 67.0-130.8-128.4 133.2 12.3 38.0 -4.2 14 26 A R E -A 9 0A 45 -2,-0.4 127,-2.9 123,-0.2 128,-0.6 -0.750 34.2-179.7 -83.9 113.1 10.2 34.9 -4.7 15 27 A L E -A 8 0A 0 -7,-3.9 -7,-2.9 -2,-0.7 5,-0.0 -0.698 36.7 -87.9-110.4 159.7 10.1 33.0 -1.3 16 28 A P > - 0 0 13 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.396 42.2-109.1 -60.5 155.6 8.4 29.8 -0.5 17 29 A P G > S+ 0 0 69 0, 0.0 3,-1.3 0, 0.0 -10,-0.1 0.733 115.4 68.0 -56.0 -24.6 4.8 30.2 0.6 18 30 A F G 3 S+ 0 0 67 1,-0.3 -11,-0.0 -10,-0.0 0, 0.0 0.533 86.6 67.9 -77.1 -9.6 5.8 29.2 4.2 19 31 A C G X S+ 0 0 0 -3,-2.2 3,-1.2 2,-0.1 4,-0.3 0.573 75.8 111.1 -78.6 -16.0 7.8 32.4 4.6 20 32 A R T < S+ 0 0 118 -3,-1.3 -10,-0.0 -4,-0.3 -12,-0.0 -0.341 80.6 13.7 -64.6 136.3 4.6 34.5 4.5 21 33 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.2 -2,-0.0 4,-0.1 0.549 116.7 70.3 85.4 10.1 3.6 36.2 7.9 22 34 A K <> + 0 0 38 -3,-1.2 4,-1.6 2,-0.1 5,-0.2 0.296 57.7 99.3-139.3 13.9 7.0 35.7 9.6 23 35 A M H > S+ 0 0 7 -4,-0.3 4,-2.5 2,-0.2 5,-0.1 0.858 88.6 49.6 -75.4 -28.0 9.5 38.0 7.9 24 36 A E H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 109.2 50.5 -68.9 -54.7 9.2 40.6 10.7 25 37 A E H 4 S+ 0 0 86 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.862 114.6 45.8 -50.6 -39.7 9.6 38.0 13.4 26 38 A I H >< S+ 0 0 0 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.894 109.2 53.1 -71.4 -43.8 12.9 36.7 11.6 27 39 A A H 3< S+ 0 0 30 -4,-2.5 69,-2.4 1,-0.2 70,-0.5 0.941 118.1 38.5 -53.7 -45.7 14.2 40.2 11.0 28 40 A N T 3< S+ 0 0 125 -4,-2.4 -1,-0.2 67,-0.2 -2,-0.2 0.424 83.9 134.6 -79.8 -7.1 13.7 40.7 14.8 29 41 A F < - 0 0 0 -3,-0.9 2,-0.7 -4,-0.3 68,-0.4 -0.184 62.2-118.9 -48.4 123.1 14.9 37.1 15.8 30 42 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.693 27.3-152.7 -77.1 122.1 17.3 37.5 18.8 31 43 A V - 0 0 17 -2,-0.7 72,-0.1 -3,-0.0 46,-0.0 -0.626 3.7-142.8 -91.3 138.1 20.6 36.2 17.8 32 44 A R > - 0 0 63 -2,-0.3 3,-1.8 1,-0.1 51,-0.0 -0.777 21.0-123.7 -95.9 144.4 23.0 34.9 20.6 33 45 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 112.1 53.8 -61.7 -19.3 26.7 35.6 20.2 34 46 A S T 3 S+ 0 0 55 69,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.371 83.9 113.9 -97.5 1.6 27.4 31.8 20.4 35 47 A D < - 0 0 1 -3,-1.8 69,-0.6 47,-0.2 2,-0.4 -0.438 55.8-151.2 -64.7 149.2 24.9 31.0 17.7 36 48 A V E -bc 84 104B 12 47,-2.6 49,-2.9 67,-0.1 2,-0.5 -0.999 9.6-160.0-125.2 117.9 26.4 29.5 14.5 37 49 A W E -bc 85 105B 0 67,-2.7 69,-3.7 -2,-0.4 2,-0.5 -0.897 2.0-163.7-104.6 124.6 24.3 30.3 11.4 38 50 A I E -bc 86 106B 1 47,-2.2 49,-2.3 -2,-0.5 2,-0.5 -0.969 8.2-166.4-107.1 116.6 24.8 28.1 8.3 39 51 A V E +bc 87 107B 0 67,-3.3 69,-2.9 -2,-0.5 2,-0.3 -0.923 14.6 160.5-114.4 139.1 23.4 29.6 5.1 40 52 A T E - c 0 108B 3 47,-2.0 69,-0.1 -2,-0.5 3,-0.1 -0.982 45.2-106.8-144.0 148.6 22.9 27.6 1.9 41 53 A Y > - 0 0 2 67,-0.5 3,-1.3 -2,-0.3 48,-0.1 -0.496 66.2 -81.9 -60.6 141.9 21.0 28.0 -1.3 42 54 A P T 3 S- 0 0 4 0, 0.0 -1,-0.1 0, 0.0 77,-0.1 -0.217 105.5 -2.8 -57.1 143.6 18.2 25.3 -1.0 43 55 A K T 3 S+ 0 0 65 1,-0.1 79,-0.2 -3,-0.1 78,-0.1 0.680 82.9 145.9 56.7 30.7 18.9 21.7 -1.9 44 56 A S < - 0 0 3 -3,-1.3 74,-0.2 74,-0.1 -1,-0.1 0.460 61.5-121.6 -85.1 0.4 22.5 22.6 -3.0 45 57 A G S S+ 0 0 11 73,-0.1 3,-0.3 1,-0.1 -1,-0.1 0.770 71.3 129.9 69.4 32.7 23.9 19.3 -1.8 46 58 A T >> + 0 0 2 1,-0.2 3,-1.5 62,-0.1 4,-1.4 0.211 23.5 124.8 -97.9 9.7 26.4 20.7 0.8 47 59 A S H 3> S+ 0 0 68 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.747 71.1 57.7 -37.8 -35.3 25.3 18.4 3.8 48 60 A L H 3> S+ 0 0 14 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.894 104.1 49.0 -72.4 -39.7 28.8 17.1 4.2 49 61 A L H <> S+ 0 0 0 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.796 109.4 56.0 -64.6 -29.4 30.3 20.6 4.7 50 62 A Q H X S+ 0 0 23 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.913 105.4 50.1 -68.8 -39.7 27.5 21.0 7.2 51 63 A E H X S+ 0 0 96 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.850 108.9 52.1 -66.9 -36.5 28.7 17.9 9.1 52 64 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.888 109.4 48.6 -65.4 -44.3 32.2 19.2 9.2 53 65 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.941 112.3 49.7 -60.3 -47.4 31.1 22.6 10.7 54 66 A Y H < S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.964 112.1 47.1 -58.6 -50.0 29.0 20.7 13.3 55 67 A L H < S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.9 51.7 -55.4 -43.4 32.0 18.5 14.1 56 68 A V H >< S+ 0 0 0 -4,-2.6 2,-2.7 1,-0.2 3,-0.8 0.938 92.7 74.7 -62.7 -46.6 34.3 21.6 14.3 57 69 A S T 3< S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.3 123,-0.0 -0.421 97.4 48.2 -69.7 72.3 31.9 23.5 16.7 58 70 A Q T 3 0 0 125 -2,-2.7 -1,-0.3 0, 0.0 -2,-0.1 0.342 360.0 360.0 160.0 38.8 33.0 21.2 19.7 59 71 A G < 0 0 58 -3,-0.8 -2,-0.1 121,-0.1 -3,-0.1 0.689 360.0 360.0-109.6 360.0 36.8 21.0 19.9 60 ! 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 61 84 A E 0 0 244 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.8 16.9 16.7 10.0 62 85 A Q + 0 0 189 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.818 360.0 66.9 -94.6 -37.0 19.0 17.3 13.1 63 86 A L S S- 0 0 48 22,-0.0 2,-0.1 1,-0.0 22,-0.1 -0.731 83.4-131.2 -89.6 125.8 19.7 21.1 12.3 64 87 A P - 0 0 22 0, 0.0 22,-3.1 0, 0.0 2,-0.6 -0.499 9.6-137.5 -76.3 142.6 16.6 23.4 12.4 65 88 A V B > -d 86 0B 11 5,-0.5 3,-1.6 20,-0.2 7,-0.3 -0.927 12.9-139.1 -98.8 124.2 15.9 25.9 9.5 66 89 A L T 3 S+ 0 0 0 20,-2.8 -1,-0.1 -2,-0.6 21,-0.1 0.798 98.1 36.8 -45.7 -46.5 14.8 29.3 10.8 67 90 A E T 3 S+ 0 0 0 19,-0.2 -1,-0.3 5,-0.1 20,-0.1 0.469 91.9 110.2 -96.3 -3.5 12.0 29.9 8.2 68 91 A Y S < S- 0 0 71 -3,-1.6 4,-0.3 1,-0.1 5,-0.1 -0.370 79.6-115.8 -71.8 150.3 10.7 26.3 7.9 69 92 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.856 88.8 86.7 -46.0 -41.9 7.2 25.3 9.3 70 93 A Q S S+ 0 0 65 1,-0.2 -5,-0.5 2,-0.1 -2,-0.1 -0.977 97.7 1.3-124.6 140.8 9.0 23.0 11.7 71 94 A P S S- 0 0 24 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.974 100.1-145.2 -81.9 -9.5 10.2 23.2 14.4 72 95 A G > - 0 0 16 -4,-0.3 4,-1.8 -7,-0.3 3,-0.1 -0.180 27.6 -81.3 105.4 160.0 9.1 26.8 14.2 73 96 A L H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.799 123.6 58.7 -66.9 -34.9 10.5 30.1 15.6 74 97 A D H > S+ 0 0 77 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.923 107.8 44.9 -63.4 -44.3 9.2 29.5 19.1 75 98 A I H >> S+ 0 0 38 -4,-0.3 3,-1.4 2,-0.2 4,-0.8 0.956 112.2 53.4 -62.9 -50.0 11.0 26.2 19.5 76 99 A I H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.3 -2,-0.2 0.884 101.7 59.9 -55.2 -38.9 14.2 27.8 18.0 77 100 A K H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.818 109.6 42.2 -53.7 -30.2 14.1 30.7 20.5 78 101 A E H << S+ 0 0 147 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.394 81.1 122.4-107.0 -3.0 14.4 28.2 23.5 79 102 A L << - 0 0 62 -3,-0.9 4,-0.1 -4,-0.8 2,-0.1 -0.402 69.5-109.1 -56.2 138.8 17.0 25.9 22.2 80 103 A T - 0 0 124 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.364 53.0 -61.5 -73.8 143.9 19.9 25.8 24.5 81 104 A S S S+ 0 0 58 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.424 110.3 47.4 -67.6 150.3 23.2 27.3 23.5 82 105 A P S S- 0 0 94 0, 0.0 2,-0.4 0, 0.0 -47,-0.2 0.472 79.7-163.5 -86.9 137.2 25.2 27.1 21.5 83 106 A R - 0 0 5 -4,-0.1 -47,-2.6 -2,-0.1 2,-0.6 -0.721 12.1-157.6 -89.9 138.2 22.5 27.0 18.7 84 107 A L E -b 36 0B 21 -2,-0.4 2,-0.4 -49,-0.2 -47,-0.2 -0.970 23.5-177.8-109.7 114.6 23.4 25.7 15.2 85 108 A I E -b 37 0B 0 -49,-2.9 -47,-2.2 -2,-0.6 2,-0.3 -0.949 13.8-151.0-127.5 133.4 20.7 27.3 13.0 86 109 A K E +bd 38 65B 37 -22,-3.1 -20,-2.8 -2,-0.4 2,-0.3 -0.717 16.5 173.2-104.4 146.9 20.2 26.8 9.3 87 110 A S E -b 39 0B 0 -49,-2.3 -47,-2.0 -2,-0.3 7,-0.0 -0.993 28.4-168.2-142.1 155.0 18.8 29.2 6.7 88 111 A H + 0 0 7 -2,-0.3 -49,-0.1 -49,-0.2 -1,-0.1 0.305 56.6 118.1-109.4 5.6 18.2 29.6 2.9 89 112 A L S S- 0 0 0 1,-0.1 5,-0.1 -48,-0.1 -2,-0.1 -0.360 73.5-100.6 -71.0 148.5 17.2 33.3 3.0 90 113 A P >> - 0 0 7 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.346 41.1-102.2 -57.9 153.6 19.3 35.9 1.2 91 114 A Y G >4 S+ 0 0 13 56,-0.3 3,-1.8 1,-0.3 7,-0.1 0.878 120.5 59.3 -45.5 -47.5 21.5 37.9 3.5 92 115 A R G 34 S+ 0 0 94 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.711 104.5 49.8 -63.8 -23.6 19.1 40.9 3.5 93 116 A F G <4 S+ 0 0 19 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.537 88.9 104.5 -97.1 -4.0 16.3 38.8 5.0 94 117 A L S << S- 0 0 1 -3,-1.8 5,-0.1 -4,-0.7 -3,-0.0 -0.130 92.0 -60.8 -64.7 156.8 18.3 37.3 7.8 95 118 A P >> - 0 0 0 0, 0.0 3,-2.5 0, 0.0 4,-0.8 -0.224 46.1-127.7 -41.1 124.0 17.9 38.5 11.4 96 119 A S H 3> S+ 0 0 52 -69,-2.4 4,-1.0 1,-0.3 3,-0.4 0.765 105.9 69.5 -48.4 -33.4 18.8 42.1 11.6 97 120 A D H 34>S+ 0 0 47 -70,-0.5 5,-1.7 -68,-0.4 -1,-0.3 0.815 96.1 54.8 -51.5 -33.3 21.3 41.3 14.5 98 121 A L H X45S+ 0 0 0 -3,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.810 100.3 58.2 -74.1 -33.1 23.5 39.6 11.9 99 122 A H H 3<5S+ 0 0 63 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.737 102.0 56.5 -66.8 -24.8 23.6 42.7 9.8 100 123 A N T 3<5S- 0 0 132 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.286 127.3 -96.6 -87.8 12.8 25.0 44.5 12.8 101 124 A G T < 5S+ 0 0 34 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.592 73.0 149.4 90.8 5.6 28.0 42.1 13.1 102 125 A D < - 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0 0 74 1,-0.1 4,-2.5 0, 0.0 3,-0.9 -0.783 360.0-123.2 -82.9 143.2 12.5 17.6 -16.9 127 158 A F H 3> S+ 0 0 12 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.873 114.5 60.1 -44.2 -36.6 16.0 18.5 -15.7 128 159 A Q H 3> S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.822 105.1 44.0 -70.2 -33.2 15.9 20.9 -18.7 129 160 A E H <> S+ 0 0 89 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.906 113.9 51.8 -78.2 -42.0 12.8 22.9 -17.4 130 161 A F H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.930 109.3 48.5 -53.8 -49.4 14.3 23.0 -14.0 131 162 A C H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.900 112.0 51.3 -57.3 -37.9 17.5 24.3 -15.4 132 163 A R H X S+ 0 0 101 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.886 108.7 49.4 -70.5 -38.8 15.5 26.9 -17.3 133 164 A R H <>S+ 0 0 66 -4,-2.7 5,-2.6 2,-0.2 6,-0.3 0.892 111.7 50.8 -63.5 -40.9 13.6 27.9 -14.2 134 165 A F H ><5S+ 0 0 3 -4,-2.8 3,-1.5 -5,-0.2 10,-0.3 0.949 111.3 46.4 -58.3 -51.5 16.9 28.3 -12.5 135 166 A M H 3<5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.837 112.9 50.3 -62.1 -33.4 18.3 30.5 -15.3 136 167 A N T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.169 115.2-114.5 -94.2 13.6 15.2 32.6 -15.3 137 168 A D T < 5S+ 0 0 46 -3,-1.5 -123,-0.2 1,-0.1 -3,-0.2 0.763 73.4 134.3 64.0 38.1 15.3 33.2 -11.5 138 169 A K < + 0 0 95 -5,-2.6 -4,-0.2 -6,-0.1 2,-0.1 0.323 33.1 103.4 -99.7 -3.7 12.0 31.3 -10.9 139 170 A L S > S- 0 0 2 -6,-0.3 3,-1.9 3,-0.3 -125,-0.2 -0.478 84.4 -86.2 -84.1 158.8 13.0 29.0 -7.9 140 171 A G T 3 S+ 0 0 6 1,-0.3 -125,-0.3 -2,-0.1 -1,-0.1 -0.382 117.1 32.2 -59.8 135.6 11.9 29.6 -4.2 141 172 A Y T 3 S- 0 0 7 -127,-2.9 -1,-0.3 -100,-0.1 -126,-0.2 0.374 113.1-113.7 88.8 -4.2 14.4 32.0 -2.6 142 173 A G < + 0 0 6 -3,-1.9 -3,-0.3 -128,-0.6 2,-0.2 -0.262 64.8 5.3 100.6-167.4 15.1 33.8 -5.7 143 174 A S > - 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0 0 26 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.801 33.3-150.6 -85.5 103.5 37.3 26.9 18.7 186 217 A S + 0 0 107 -2,-1.0 2,-0.4 -3,-0.1 -5,-0.0 -0.645 22.8 170.0 -87.7 124.2 40.8 27.0 20.4 187 218 A C - 0 0 37 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.980 31.4-130.4-127.5 143.1 43.1 24.1 19.9 188 219 A D > - 0 0 96 -2,-0.4 4,-2.1 1,-0.0 5,-0.2 -0.229 52.1 -86.9 -66.9 174.7 46.7 23.3 20.6 189 220 A K H > S+ 0 0 168 1,-0.2 4,-2.3 2,-0.2 3,-0.1 0.937 129.4 47.5 -48.2 -51.7 48.6 21.9 17.5 190 221 A A H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.786 109.9 51.1 -66.3 -37.8 47.7 18.3 18.4 191 222 A Q H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 111.0 48.7 -70.3 -35.4 44.0 19.0 18.9 192 223 A L H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 112.4 48.3 -68.9 -41.0 43.9 20.8 15.5 193 224 A E H X S+ 0 0 128 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.962 115.4 45.8 -62.4 -48.3 45.6 17.9 13.8 194 225 A A H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.852 112.6 48.6 -58.6 -43.7 43.2 15.5 15.5 195 226 A L H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.875 111.7 50.0 -70.3 -39.0 40.1 17.5 14.7 196 227 A T H X S+ 0 0 19 -4,-2.3 4,-3.4 2,-0.2 -2,-0.2 0.881 108.7 52.7 -60.1 -41.5 41.2 17.9 11.0 197 228 A E H X S+ 0 0 93 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.906 108.0 51.0 -68.5 -38.4 41.8 14.1 10.8 198 229 A H H X S+ 0 0 96 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.906 111.8 46.9 -60.6 -41.6 38.2 13.6 12.2 199 230 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 113.3 50.7 -62.4 -45.2 36.8 15.9 9.5 200 231 A H H X S+ 0 0 78 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.957 110.6 46.9 -57.8 -52.1 39.0 14.1 6.9 201 232 A Q H X S+ 0 0 97 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.848 111.8 51.6 -60.9 -35.4 37.7 10.7 8.0 202 233 A L H < S+ 0 0 43 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.884 115.3 41.2 -72.4 -37.4 34.1 11.9 7.9 203 234 A V H >< S+ 0 0 10 -4,-2.2 3,-2.5 1,-0.2 4,-0.4 0.987 111.8 54.8 -66.5 -51.8 34.4 13.3 4.4 204 235 A D H >< S+ 0 0 87 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.624 93.7 71.5 -66.0 -16.8 36.5 10.4 3.0 205 236 A Q T 3< S+ 0 0 158 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.483 101.3 43.1 -78.6 -11.5 33.8 7.9 4.1 206 237 A C T < S+ 0 0 58 -3,-2.5 8,-1.1 -4,-0.1 -1,-0.3 0.389 99.7 102.9-102.6 -9.8 31.5 9.2 1.4 207 238 A C B < -F 213 0C 27 -3,-0.6 2,-0.1 -4,-0.4 7,-0.1 -0.372 48.5-169.3 -87.3 157.5 34.2 9.3 -1.2 208 239 A N > - 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0 0 81 3,-0.1 4,-2.0 2,-0.1 3,-0.2 0.854 360.0-130.4 1.6 143.0 -2.2 3.4 58.0 375 158 B F H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.883 108.8 61.7 -61.8 -37.9 -0.4 6.2 55.9 376 159 B Q H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 106.5 44.9 -59.0 -43.0 2.4 6.3 58.3 377 160 B E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 112.0 49.9 -69.1 -47.6 3.2 2.7 57.5 378 161 B F H X S+ 0 0 38 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.939 111.5 50.9 -52.2 -45.7 2.9 3.1 53.7 379 162 B C H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.878 109.4 49.1 -65.8 -37.2 5.2 6.1 53.9 380 163 B R H X S+ 0 0 94 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.887 110.4 51.9 -61.9 -41.8 7.8 4.1 55.9 381 164 B R H <>S+ 0 0 63 -4,-2.4 5,-2.7 1,-0.2 6,-0.4 0.924 108.4 51.2 -64.6 -40.5 7.6 1.3 53.3 382 165 B F H ><5S+ 0 0 4 -4,-2.8 3,-1.4 1,-0.2 10,-0.3 0.914 109.9 48.7 -55.5 -51.4 8.2 3.8 50.6 383 166 B M H 3<5S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 113.3 48.9 -62.7 -30.9 11.3 5.2 52.4 384 167 B N T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.289 113.4-119.9 -91.2 9.4 12.6 1.6 52.8 385 168 B D T < 5S+ 0 0 38 -3,-1.4 -122,-0.3 5,-0.1 -3,-0.2 0.734 73.1 131.6 66.0 25.2 12.0 0.9 49.3 386 169 B K < + 0 0 93 -5,-2.7 -4,-0.2 -6,-0.2 2,-0.1 0.226 36.3 105.7 -97.4 12.5 9.5 -2.0 50.1 387 170 B L S > S- 0 0 3 -6,-0.4 3,-1.7 -5,-0.2 -124,-0.2 -0.453 87.1 -78.3 -84.5 162.9 6.7 -1.0 47.7 388 171 B G T 3 S+ 0 0 4 1,-0.2 -124,-0.2 -2,-0.1 -1,-0.1 -0.481 120.6 29.6 -59.7 125.9 5.8 -2.9 44.4 389 172 B Y T 3 S- 0 0 8 -126,-2.2 -1,-0.2 -2,-0.2 -125,-0.2 0.349 111.2-113.6 100.3 -0.6 8.3 -1.8 41.7 390 173 B G < + 0 0 3 -3,-1.7 -3,-0.2 -127,-0.3 -5,-0.1 -0.277 69.6 8.2 89.3-159.5 11.2 -1.1 44.1 391 174 B S > - 0 0 10 1,-0.2 4,-2.1 -6,-0.1 -8,-0.1 -0.267 48.0-155.2 -61.2 130.8 12.9 2.1 45.1 392 175 B W H > S+ 0 0 1 -10,-0.3 4,-2.4 2,-0.2 5,-0.3 0.752 97.6 60.3 -69.3 -30.7 11.4 5.3 43.7 393 176 B F H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.948 111.9 38.0 -69.0 -44.6 14.8 6.9 44.1 394 177 B E H > S+ 0 0 114 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.874 114.9 55.1 -64.5 -41.3 16.2 4.3 41.6 395 178 B H H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -56,-0.4 0.970 116.6 34.7 -53.9 -58.9 13.1 4.3 39.4 396 179 B V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.809 115.7 55.4 -66.8 -37.3 13.2 8.1 38.8 397 180 B Q H X S+ 0 0 37 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.885 105.1 52.6 -71.7 -39.4 17.0 8.5 38.8 398 181 B E H X S+ 0 0 46 -4,-1.9 4,-1.0 2,-0.2 3,-0.2 0.963 111.7 44.4 -63.2 -52.4 17.5 6.0 36.0 399 182 B F H < S+ 0 0 0 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.883 110.2 58.0 -56.2 -36.5 15.0 7.6 33.7 400 183 B W H >< S+ 0 0 33 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.891 103.2 51.6 -59.8 -41.3 16.6 11.0 34.6 401 184 B E H 3< S+ 0 0 122 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.770 113.3 46.6 -60.9 -27.4 20.0 9.8 33.4 402 185 B H T >< S+ 0 0 43 -4,-1.0 3,-1.0 -3,-0.5 -1,-0.3 0.223 78.7 106.4-105.1 13.2 18.4 8.8 30.1 403 186 B R T < S+ 0 0 69 -3,-1.4 7,-0.4 1,-0.3 -1,-0.2 0.586 79.8 51.4 -69.9 -12.5 16.4 12.0 29.7 404 187 B M T 3 S+ 0 0 151 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.571 82.8 113.2-104.6 -17.2 18.8 13.1 26.9 405 188 B D S X S- 0 0 31 -3,-1.0 3,-1.3 1,-0.1 -3,-0.0 -0.214 79.2-119.0 -50.2 144.9 18.5 9.9 24.9 406 189 B S T 3 S+ 0 0 96 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.867 112.3 47.8 -61.4 -37.6 16.7 10.4 21.6 407 190 B N T 3 S+ 0 0 0 -61,-0.1 -54,-2.2 -55,-0.1 2,-0.4 0.132 101.0 79.8 -92.3 23.2 13.9 7.9 22.6 408 191 B V E < -k 353 0E 5 -3,-1.3 2,-0.4 -56,-0.2 -54,-0.2 -0.992 47.4-178.6-140.4 121.5 13.2 9.4 26.1 409 192 B L E -k 354 0E 23 -56,-2.6 -54,-2.9 -2,-0.4 2,-0.6 -0.993 16.3-153.7-112.3 125.7 11.3 12.4 27.2 410 193 B F E -k 355 0E 22 -2,-0.4 2,-0.3 -7,-0.4 -54,-0.2 -0.854 17.7-176.1 -99.0 119.2 11.2 13.0 31.0 411 194 B L E -k 356 0E 4 -56,-3.7 -54,-2.3 -2,-0.6 2,-0.5 -0.770 18.1-142.8-113.4 159.3 8.2 14.9 32.2 412 195 B K E >> -k 357 0E 32 -2,-0.3 3,-1.1 -56,-0.2 4,-0.8 -0.993 11.8-142.1-121.2 120.3 7.2 16.3 35.7 413 196 B Y T >4 S+ 0 0 1 -56,-3.4 3,-1.3 -2,-0.5 4,-0.3 0.878 102.8 53.6 -39.0 -51.2 3.6 16.2 36.8 414 197 B E T >> S+ 0 0 1 1,-0.3 4,-2.2 -57,-0.2 3,-1.5 0.786 97.6 65.7 -62.5 -31.6 3.9 19.6 38.5 415 198 B D H <> S+ 0 0 36 -3,-1.1 4,-2.1 1,-0.3 -1,-0.3 0.726 89.0 68.0 -62.3 -24.8 5.2 21.2 35.2 416 199 B M H << S+ 0 0 1 -3,-1.3 4,-0.3 -4,-0.8 -1,-0.3 0.702 109.3 35.3 -66.7 -22.1 1.8 20.5 33.7 417 200 B H H <4 S+ 0 0 35 -3,-1.5 3,-0.3 -4,-0.3 -2,-0.2 0.771 121.3 43.5 -98.1 -41.0 0.4 23.1 36.1 418 201 B R H < S+ 0 0 127 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.787 136.8 5.9 -78.6 -23.8 3.2 25.7 36.2 419 202 B D X + 0 0 50 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 -0.292 60.3 158.5-158.3 78.0 3.8 25.6 32.4 420 203 B L H > S+ 0 0 5 -3,-0.3 4,-2.1 -4,-0.3 5,-0.2 0.812 75.3 66.1 -64.7 -31.9 1.5 23.6 30.2 421 204 B V H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.964 104.8 41.2 -52.8 -62.1 2.5 25.6 27.1 422 205 B T H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.791 115.1 52.3 -52.9 -38.4 6.2 24.4 27.0 423 206 B M H X S+ 0 0 2 -4,-1.2 4,-1.8 -8,-0.2 -1,-0.2 0.867 107.4 50.8 -71.3 -39.3 5.2 20.8 27.8 424 207 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.783 110.3 49.3 -70.9 -29.9 2.6 20.6 25.0 425 208 B E H X S+ 0 0 33 -4,-1.5 4,-3.3 -5,-0.2 5,-0.2 0.955 111.8 50.4 -64.7 -52.4 5.1 21.8 22.4 426 209 B Q H X S+ 0 0 84 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.775 112.7 45.4 -56.7 -39.5 7.6 19.2 23.8 427 210 B L H X S+ 0 0 0 -4,-1.8 4,-3.6 2,-0.2 5,-0.4 0.993 115.5 46.2 -65.1 -63.4 5.0 16.4 23.5 428 211 B A H X>S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 5,-1.6 0.894 119.7 39.9 -49.6 -59.3 3.9 17.4 20.0 429 212 B R H <5S+ 0 0 123 -4,-3.3 3,-0.4 2,-0.2 -1,-0.2 0.968 117.0 49.8 -44.4 -64.0 7.5 17.8 18.8 430 213 B F H <5S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.828 118.7 39.0 -50.2 -44.9 8.8 14.7 20.6 431 214 B L H <5S- 0 0 32 -4,-3.6 -1,-0.3 -5,-0.1 -2,-0.2 0.698 108.9-128.8 -78.5 -24.4 5.9 12.6 19.3 432 215 B G T <5 + 0 0 52 -4,-2.0 2,-1.6 -5,-0.4 -3,-0.2 0.773 53.9 152.7 77.6 18.9 6.1 14.3 15.9 433 216 B V < - 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