==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-11 3SXG . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.JOHAL,S.V.EVANS . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.8 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 . 1 0.3 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 1 0 1 1 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 62 A F 0 0 228 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 20.1 34.4 29.3 2 63 A M - 0 0 86 3,-0.0 3,-0.1 49,-0.0 49,-0.1 -0.938 360.0-142.2-123.9 104.1 18.6 31.0 29.9 3 64 A V - 0 0 80 -2,-0.6 2,-0.1 47,-0.2 47,-0.1 -0.102 37.5 -78.6 -62.9 165.3 16.4 30.5 33.0 4 65 A S - 0 0 113 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.382 44.1-115.2 -61.4 142.7 16.5 27.2 35.1 5 66 A L - 0 0 76 -3,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.510 36.7-114.4 -65.8 145.5 14.6 24.2 33.8 6 67 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.319 46.7 -71.8 -73.9 168.4 11.8 23.2 36.1 7 68 A R - 0 0 223 -2,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.389 59.9-177.0 -55.8 132.9 11.8 19.9 38.0 8 69 A M - 0 0 51 -3,-0.1 2,-0.6 -2,-0.1 -3,-0.0 -0.994 22.3-144.8-134.0 148.7 11.2 17.1 35.6 9 70 A V + 0 0 118 -2,-0.3 -2,-0.0 3,-0.0 3,-0.0 -0.941 40.8 137.9-112.1 117.4 10.8 13.3 36.2 10 71 A Y - 0 0 103 -2,-0.6 -2,-0.1 32,-0.0 30,-0.0 -0.959 59.1 -67.9-152.0 163.7 12.2 11.1 33.3 11 72 A P - 0 0 114 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.289 55.6-113.4 -55.9 129.7 14.3 7.9 32.8 12 73 A Q - 0 0 134 1,-0.1 2,-0.5 -3,-0.0 -3,-0.0 -0.518 28.2-120.6 -60.5 129.7 17.9 8.4 33.9 13 74 A P - 0 0 106 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.649 27.3-143.1 -69.9 129.7 20.3 8.2 31.0 14 75 A K > - 0 0 122 -2,-0.5 3,-1.6 3,-0.2 -2,-0.0 -0.830 8.4-153.8-101.8 123.7 22.7 5.3 31.6 15 76 A V T 3 S+ 0 0 142 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.768 94.7 54.6 -56.3 -34.0 26.3 5.8 30.6 16 77 A L T 3 S+ 0 0 166 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.233 102.3 63.6 -98.1 14.7 26.9 2.1 30.1 17 78 A T S < S- 0 0 91 -3,-1.6 -3,-0.2 3,-0.0 -1,-0.1 -0.915 76.9-141.9-136.5 115.9 24.0 1.6 27.8 18 79 A P - 0 0 80 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.370 15.6-131.6 -61.1 148.2 23.9 3.3 24.3 19 80 A C S S+ 0 0 87 1,-0.3 2,-0.3 19,-0.1 20,-0.1 0.768 96.7 9.6 -68.2 -30.8 20.5 4.7 23.1 20 81 A R - 0 0 12 3,-0.1 -1,-0.3 18,-0.1 5,-0.1 -0.960 57.4-179.1-152.6 130.1 21.1 3.0 19.7 21 82 A K S S+ 0 0 184 -2,-0.3 -1,-0.1 -3,-0.2 -2,-0.0 0.413 78.8 67.6-108.2 -7.2 23.9 0.5 18.9 22 83 A D S S+ 0 0 88 1,-0.1 2,-0.3 251,-0.0 -1,-0.1 0.517 101.6 37.9 -90.9 -10.2 23.0 -0.0 15.3 23 84 A V S S- 0 0 27 12,-0.0 2,-0.4 250,-0.0 -3,-0.1 -0.986 85.3 -99.6-143.7 151.0 23.8 3.4 14.0 24 85 A L - 0 0 101 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.604 34.2-177.5 -67.2 122.6 26.3 6.2 14.3 25 86 A V + 0 0 49 -2,-0.4 8,-2.3 1,-0.2 2,-0.3 0.439 65.1 36.3-111.2 0.3 24.8 8.9 16.6 26 87 A V B S-A 32 0A 64 6,-0.3 -1,-0.2 8,-0.1 229,-0.0 -0.974 78.1-127.1-148.0 142.5 27.5 11.6 16.6 27 88 A T > - 0 0 3 4,-2.4 3,-2.1 -2,-0.3 4,-0.1 -0.323 36.7 -99.6 -83.4 169.3 29.8 12.7 13.7 28 89 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.608 125.9 58.2 -66.9 -9.0 33.7 12.8 14.1 29 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.0 224,-0.1 223,-0.0 0.187 123.6-106.3-101.3 19.0 33.3 16.6 14.7 30 91 A L S < S+ 0 0 146 -3,-2.1 224,-0.0 1,-0.2 -4,-0.0 0.827 71.3 143.9 67.4 34.3 31.0 15.9 17.7 31 92 A A - 0 0 1 -4,-0.1 -4,-2.4 222,-0.0 -1,-0.2 -0.927 54.6-113.5 -96.5 127.4 27.7 17.0 16.0 32 93 A P B -A 26 0A 58 0, 0.0 224,-2.3 0, 0.0 2,-0.5 -0.269 17.3-144.2 -51.1 135.8 24.7 14.9 17.1 33 94 A I E -b 256 0B 3 -8,-2.3 2,-0.8 222,-0.2 224,-0.2 -0.984 26.0-131.4 -98.1 120.1 23.1 12.6 14.3 34 95 A V E +b 257 0B 6 222,-2.5 224,-1.9 -2,-0.5 2,-0.3 -0.656 41.8 153.7 -88.8 104.8 19.4 12.7 15.2 35 96 A W > - 0 0 12 -2,-0.8 3,-1.9 222,-0.1 4,-0.3 -0.906 53.9 -87.8-116.4 153.5 17.7 9.3 15.3 36 97 A E T 3 S+ 0 0 52 -2,-0.3 239,-0.1 1,-0.2 240,-0.0 -0.409 116.5 34.0 -54.3 131.6 14.7 8.2 17.2 37 98 A G T 3 S+ 0 0 31 2,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.280 97.7 87.3 100.8 -8.6 15.7 7.1 20.7 38 99 A T S < S+ 0 0 48 -3,-1.9 2,-0.3 1,-0.1 -2,-0.1 0.660 84.4 49.7 -95.0 -18.6 18.6 9.6 21.0 39 100 A F - 0 0 43 -4,-0.3 2,-0.9 -20,-0.1 -2,-0.3 -0.932 65.3-139.3-130.6 145.6 16.6 12.5 22.4 40 101 A N > - 0 0 45 -2,-0.3 4,-2.0 1,-0.2 3,-0.4 -0.887 20.5-164.5 -95.6 104.6 14.2 13.2 25.2 41 102 A I H > S+ 0 0 41 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.769 84.5 62.3 -67.4 -24.5 11.7 15.6 23.4 42 103 A D H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 106.8 43.6 -64.8 -45.0 10.3 16.7 26.8 43 104 A I H > S+ 0 0 37 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.940 116.3 47.0 -61.5 -53.8 13.6 18.1 27.9 44 105 A L H X S+ 0 0 31 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.918 109.4 53.8 -56.1 -46.7 14.2 19.7 24.5 45 106 A N H X S+ 0 0 45 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.924 109.8 49.4 -56.2 -45.5 10.7 21.2 24.3 46 107 A E H X S+ 0 0 63 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.935 110.6 47.8 -50.0 -56.2 11.3 22.8 27.7 47 108 A Q H X S+ 0 0 70 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.934 118.2 42.4 -58.8 -45.8 14.7 24.3 26.7 48 109 A F H <>S+ 0 0 29 -4,-2.8 5,-1.7 2,-0.2 3,-0.2 0.879 113.1 49.6 -69.7 -38.8 13.2 25.7 23.4 49 110 A R H ><5S+ 0 0 107 -4,-2.8 3,-2.2 -5,-0.3 -1,-0.2 0.900 105.9 58.5 -63.7 -40.0 9.9 27.0 24.9 50 111 A L H 3<5S+ 0 0 68 -4,-2.4 -47,-0.2 1,-0.3 -1,-0.2 0.766 107.6 47.9 -63.0 -24.6 11.9 28.8 27.7 51 112 A Q T 3<5S- 0 0 97 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.471 109.3-129.1 -88.4 0.2 13.7 30.6 24.9 52 113 A N T < 5 - 0 0 77 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.945 37.8-163.0 46.0 53.7 10.3 31.4 23.1 53 114 A T < - 0 0 5 -5,-1.7 32,-1.2 90,-0.1 2,-0.4 -0.417 12.2-157.9 -71.8 137.3 11.9 30.0 19.9 54 115 A T E -c 85 0B 18 30,-0.1 89,-2.7 -2,-0.1 90,-1.6 -0.992 5.8-158.1-116.7 133.7 10.2 30.9 16.6 55 116 A I E -cd 86 144B 0 30,-2.6 32,-2.3 -2,-0.4 2,-0.4 -0.935 1.4-155.5-114.9 127.8 10.8 28.6 13.7 56 117 A G E -cd 87 145B 0 88,-3.0 90,-2.1 -2,-0.5 2,-0.5 -0.794 6.7-160.0 -97.3 143.0 10.4 29.8 10.0 57 118 A L E -cd 88 146B 0 30,-2.0 32,-2.8 -2,-0.4 2,-0.3 -0.987 5.2-157.2-124.7 116.5 9.7 27.1 7.4 58 119 A T E +cd 89 147B 1 88,-2.8 90,-2.2 -2,-0.5 2,-0.3 -0.753 16.1 170.4 -96.0 143.9 10.4 28.0 3.8 59 120 A V E -cd 90 148B 0 30,-1.9 32,-2.7 -2,-0.3 2,-0.4 -0.984 21.8-145.6-154.6 130.6 8.8 26.1 0.9 60 121 A F E +c 91 0B 16 88,-0.5 90,-0.4 -2,-0.3 2,-0.3 -0.895 16.5 175.8-102.5 132.6 8.7 26.8 -2.9 61 122 A A E +c 92 0B 0 30,-3.2 32,-0.6 -2,-0.4 33,-0.4 -0.697 16.0 165.6-139.0 85.7 5.6 26.0 -4.8 62 123 A I > - 0 0 7 -2,-0.3 3,-2.0 30,-0.2 30,-0.1 -0.767 54.3 -27.3-109.8 145.5 6.2 27.2 -8.4 63 124 A K G > S- 0 0 42 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 -0.282 135.0 -0.8 49.0-127.7 4.1 26.3 -11.5 64 125 A K G > S+ 0 0 61 225,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.681 117.6 81.6 -69.4 -15.9 2.4 22.9 -11.0 65 126 A Y G X + 0 0 39 -3,-2.0 3,-1.5 1,-0.3 4,-0.3 0.594 68.2 84.3 -68.8 -9.2 4.0 22.4 -7.6 66 127 A V G X S+ 0 0 21 -3,-1.7 3,-1.6 1,-0.2 4,-0.4 0.831 77.6 70.6 -57.7 -29.4 1.2 24.5 -6.1 67 128 A A G < S+ 0 0 84 -3,-1.8 4,-0.3 1,-0.3 3,-0.3 0.736 92.6 56.0 -57.7 -27.7 -0.8 21.3 -6.0 68 129 A F G <> S+ 0 0 28 -3,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.539 85.9 82.8 -81.0 -12.5 1.4 19.8 -3.2 69 130 A L H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.3 5,-0.4 0.861 82.4 57.9 -65.5 -38.4 0.8 22.7 -0.8 70 131 A K H > S+ 0 0 115 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.953 114.4 35.9 -60.9 -48.9 -2.5 21.6 0.7 71 132 A L H > S+ 0 0 64 -4,-0.3 4,-2.3 1,-0.2 83,-0.3 0.890 118.0 53.9 -73.2 -34.4 -1.1 18.2 1.9 72 133 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 82,-0.3 0.959 115.0 38.6 -62.9 -54.8 2.3 19.7 2.9 73 134 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.905 114.9 52.0 -65.2 -42.3 0.7 22.5 5.1 74 135 A E H X S+ 0 0 71 -4,-2.2 4,-0.7 -5,-0.4 -1,-0.2 0.900 114.8 42.7 -63.8 -42.7 -2.1 20.3 6.6 75 136 A T H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.834 109.6 57.5 -71.2 -34.7 0.5 17.6 7.7 76 137 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 3,-0.3 0.935 105.0 54.1 -53.7 -45.2 3.0 20.4 8.9 77 138 A E H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 111.6 43.7 -58.9 -33.5 0.2 21.5 11.1 78 139 A K H < S+ 0 0 161 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.786 134.1 10.1 -80.0 -24.5 -0.1 17.9 12.6 79 140 A H H < S+ 0 0 51 -4,-1.7 79,-2.4 -3,-0.3 2,-0.6 0.603 95.9 94.8-138.0 -16.6 3.6 17.2 13.0 80 141 A F B < S-i 158 0C 0 -4,-2.9 79,-0.2 -5,-0.2 4,-0.1 -0.820 107.0 -35.7 -98.9 112.6 6.0 20.2 12.6 81 142 A M S > S- 0 0 1 77,-2.6 3,-2.5 -2,-0.6 -1,-0.2 0.743 77.3-171.6 55.7 31.9 7.1 22.1 15.7 82 143 A V T 3 S+ 0 0 88 1,-0.3 -1,-0.2 76,-0.2 3,-0.1 -0.322 70.8 24.9 -62.0 128.3 3.7 21.7 17.4 83 144 A G T 3 S+ 0 0 63 1,-0.5 -1,-0.3 22,-0.2 2,-0.2 0.164 109.5 91.9 104.6 -18.4 3.5 23.8 20.6 84 145 A H S < S- 0 0 9 -3,-2.5 -1,-0.5 -4,-0.1 2,-0.3 -0.630 89.2 -92.8-103.5 165.4 6.2 26.2 19.2 85 146 A R E -c 54 0B 106 -32,-1.2 -30,-2.6 -2,-0.2 2,-0.4 -0.646 47.6-175.0 -79.8 133.6 5.8 29.5 17.3 86 147 A V E -ce 55 107B 3 20,-1.4 22,-2.6 -2,-0.3 2,-0.5 -0.990 18.6-168.8-133.1 138.4 6.0 28.8 13.5 87 148 A H E -ce 56 108B 3 -32,-2.3 -30,-2.0 -2,-0.4 2,-0.4 -0.983 14.7-157.3-125.5 111.4 6.0 31.2 10.5 88 149 A Y E -ce 57 109B 0 20,-3.2 22,-2.7 -2,-0.5 2,-0.5 -0.775 1.7-160.3 -89.3 142.2 5.6 29.4 7.1 89 150 A Y E -ce 58 110B 0 -32,-2.8 -30,-1.9 -2,-0.4 2,-0.8 -0.942 4.6-164.9-120.6 112.2 6.9 31.3 4.1 90 151 A V E -ce 59 111B 0 20,-2.7 22,-3.3 -2,-0.5 2,-0.5 -0.854 2.7-161.4-101.3 111.6 5.3 30.1 0.9 91 152 A F E +ce 60 112B 4 -32,-2.7 -30,-3.2 -2,-0.8 2,-0.3 -0.793 28.8 148.7 -90.8 122.2 7.2 31.3 -2.2 92 153 A T E -ce 61 113B 0 20,-2.3 22,-1.8 -2,-0.5 -30,-0.2 -0.997 55.5-140.0-153.8 158.9 5.1 31.0 -5.3 93 154 A D S S+ 0 0 42 -32,-0.6 23,-0.1 -2,-0.3 -31,-0.1 0.436 102.7 54.3 -94.8 -3.7 4.3 32.4 -8.7 94 155 A Q > + 0 0 66 -33,-0.4 3,-1.5 1,-0.1 4,-0.3 -0.676 59.1 172.2-129.6 76.6 0.6 31.9 -8.1 95 156 A P G > S+ 0 0 49 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.845 80.3 57.8 -55.1 -33.1 -0.5 33.6 -4.8 96 157 A A G 3 S+ 0 0 107 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.709 98.8 60.0 -73.2 -18.9 -4.2 32.8 -5.6 97 158 A A G < S+ 0 0 41 -3,-1.5 -1,-0.3 2,-0.1 -3,-0.0 0.469 73.2 112.3 -88.9 1.5 -3.5 29.1 -5.8 98 159 A V S < S- 0 0 19 -3,-1.3 -31,-0.1 -4,-0.3 -32,-0.0 -0.614 73.9-120.7 -75.4 123.2 -2.2 28.8 -2.2 99 160 A P - 0 0 33 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.305 18.8-112.9 -64.8 155.0 -4.9 26.7 -0.3 100 161 A R - 0 0 244 2,-0.0 2,-0.4 -2,-0.0 -30,-0.0 -0.750 44.5-178.4 -90.9 103.9 -6.6 28.2 2.7 101 162 A V - 0 0 29 -2,-1.0 2,-0.4 -28,-0.0 -31,-0.0 -0.893 26.3-124.9-110.0 137.3 -5.2 25.9 5.5 102 163 A T - 0 0 131 -2,-0.4 2,-0.3 1,-0.0 -25,-0.1 -0.681 30.6-151.6 -84.5 134.9 -6.4 26.4 9.1 103 164 A L - 0 0 51 -2,-0.4 3,-0.1 4,-0.1 4,-0.1 -0.755 12.1-112.4-110.6 148.4 -3.5 26.9 11.4 104 165 A G > - 0 0 32 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 -0.144 54.4 -73.9 -60.0 158.3 -2.9 26.2 15.1 105 166 A T T 3 S+ 0 0 148 1,-0.2 -22,-0.2 -20,-0.0 -1,-0.2 -0.312 118.9 24.7 -57.1 144.2 -2.5 29.0 17.5 106 167 A G T 3 S+ 0 0 44 1,-0.3 -20,-1.4 -3,-0.1 2,-0.4 0.620 100.1 108.3 79.4 11.0 0.8 30.8 17.4 107 168 A R E < +e 86 0B 25 -3,-1.3 2,-0.3 -22,-0.2 -1,-0.3 -0.942 43.4 179.9-125.4 140.9 1.4 29.9 13.8 108 169 A Q E -e 87 0B 93 -22,-2.6 -20,-3.2 -2,-0.4 2,-0.4 -0.957 15.5-146.7-138.0 163.1 1.3 32.1 10.8 109 170 A L E -e 88 0B 55 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.991 6.2-167.7-133.6 136.1 1.8 32.0 7.0 110 171 A S E -e 89 0B 17 -22,-2.7 -20,-2.7 -2,-0.4 2,-0.5 -0.942 14.1-145.9-118.0 137.9 3.1 34.6 4.5 111 172 A V E -e 90 0B 62 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.889 15.9-168.5-100.1 124.2 2.7 34.2 0.8 112 173 A L E -e 91 0B 22 -22,-3.3 -20,-2.3 -2,-0.5 2,-0.3 -0.964 13.0-142.4-116.7 119.0 5.8 35.7 -1.1 113 174 A E E +e 92 0B 142 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.607 27.6 168.4 -83.9 136.8 5.4 36.1 -4.8 114 175 A V - 0 0 29 -22,-1.8 2,-0.2 -2,-0.3 -2,-0.0 -0.928 39.6 -87.6-136.8 163.7 8.4 35.4 -7.0 115 176 A R - 0 0 161 -2,-0.3 2,-0.3 -53,-0.0 -22,-0.1 -0.491 37.2-131.1 -69.3 141.7 9.1 34.9 -10.7 116 177 A A - 0 0 31 -2,-0.2 2,-0.3 -23,-0.1 -24,-0.0 -0.740 17.7-147.9 -82.6 140.7 8.7 31.3 -12.2 117 178 A Y - 0 0 40 -2,-0.3 6,-0.2 2,-0.1 -55,-0.0 -0.884 14.5-129.2-105.6 145.7 11.7 30.1 -14.3 118 179 A K S S+ 0 0 141 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.933 89.3 68.3 -57.7 -49.7 11.1 27.7 -17.3 119 180 A R S >> S- 0 0 94 1,-0.1 4,-2.2 172,-0.0 3,-0.7 -0.613 73.8-144.4 -82.1 121.5 13.6 25.0 -16.4 120 181 A W H 3> S+ 0 0 55 -2,-0.4 4,-2.4 170,-0.4 -1,-0.1 0.777 103.2 62.3 -47.7 -32.6 12.9 23.0 -13.3 121 182 A Q H 3> S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 119,-0.3 0.901 106.7 43.9 -58.8 -45.9 16.7 23.0 -12.7 122 183 A D H <> S+ 0 0 24 -3,-0.7 4,-3.1 2,-0.2 -2,-0.2 0.879 110.0 53.7 -68.6 -44.7 16.6 26.8 -12.4 123 184 A V H < S+ 0 0 29 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.960 115.2 42.7 -48.5 -52.5 13.4 26.8 -10.2 124 185 A S H >< S+ 0 0 23 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.931 117.5 45.3 -61.7 -48.9 15.3 24.4 -7.8 125 186 A M H >< S+ 0 0 10 -4,-2.6 3,-2.0 1,-0.2 4,-0.4 0.932 104.0 61.0 -62.6 -51.2 18.7 26.3 -8.0 126 187 A R T 3X S+ 0 0 37 -4,-3.1 4,-2.4 1,-0.3 -1,-0.2 0.485 80.9 85.0 -62.1 -8.6 17.2 29.8 -7.5 127 188 A R H <> S+ 0 0 27 -3,-0.9 4,-3.5 -4,-0.5 -1,-0.3 0.898 87.0 56.8 -49.1 -40.0 15.8 28.9 -4.0 128 189 A M H <> S+ 0 0 2 -3,-2.0 4,-2.3 -4,-0.3 -2,-0.2 0.955 109.8 41.9 -67.6 -48.0 19.3 29.7 -2.7 129 190 A E H 4 S+ 0 0 73 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.914 115.7 49.8 -60.7 -47.7 19.2 33.3 -4.1 130 191 A M H < S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 113.4 46.5 -64.8 -41.5 15.5 33.8 -3.0 131 192 A I H < 0 0 3 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.934 360.0 360.0 -59.4 -46.1 16.2 32.5 0.5 132 193 A S < 0 0 21 -4,-2.3 3,-0.3 -5,-0.2 84,-0.1 -0.178 360.0 360.0 -68.6 360.0 19.4 34.6 1.1 133 ! 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 0.0 134 196 A C > 0 0 62 0, 0.0 4,-1.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 39.5 14.2 38.2 1.9 135 197 A E H > + 0 0 80 -3,-0.3 4,-0.9 1,-0.2 81,-0.1 0.897 360.0 34.9 -77.5 -50.7 17.3 39.0 4.0 136 198 A R H > S+ 0 0 198 2,-0.1 4,-1.1 1,-0.1 -1,-0.2 0.766 111.6 65.6 -75.6 -25.7 16.2 41.5 6.7 137 199 A R H >> S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 3,-0.8 0.958 101.2 43.9 -63.9 -54.8 12.8 39.9 7.0 138 200 A F H 3X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.3 3,-0.3 0.913 109.5 59.3 -60.5 -41.3 13.8 36.5 8.4 139 201 A L H 3< S+ 0 0 103 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.818 111.6 39.4 -53.6 -34.9 16.3 38.2 10.8 140 202 A S H << S+ 0 0 95 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.758 122.3 39.9 -91.4 -20.1 13.5 40.2 12.4 141 203 A E H < S+ 0 0 67 -4,-1.6 2,-0.3 -3,-0.3 -2,-0.2 0.739 112.6 25.9-105.8 -26.2 10.8 37.4 12.4 142 204 A V < - 0 0 7 -4,-2.6 -87,-0.2 -5,-0.2 70,-0.1 -0.927 49.1-146.3-140.4 162.5 12.3 34.0 13.4 143 205 A D S S+ 0 0 80 -89,-2.7 69,-1.3 -2,-0.3 2,-0.3 0.764 88.7 24.9 -95.7 -35.5 15.2 32.4 15.2 144 206 A Y E -dF 55 211B 48 -90,-1.6 -88,-3.0 67,-0.2 2,-0.4 -0.958 66.5-148.6-128.0 153.9 15.7 29.4 13.0 145 207 A L E -dF 56 210B 0 65,-2.8 65,-2.4 -2,-0.3 2,-0.4 -0.977 6.0-168.3-122.6 141.2 14.9 28.7 9.4 146 208 A V E -dF 57 209B 0 -90,-2.1 -88,-2.8 -2,-0.4 2,-0.6 -0.989 9.5-163.5-125.8 123.9 14.1 25.2 8.0 147 209 A C E +dF 58 208B 4 61,-3.0 61,-2.1 -2,-0.4 2,-0.3 -0.957 19.6 163.2-123.6 115.8 14.1 25.0 4.1 148 210 A V E -dF 59 207B 2 -90,-2.2 -88,-0.5 -2,-0.6 59,-0.2 -0.850 39.9 -98.3-132.1 160.1 12.3 22.1 2.6 149 211 A D - 0 0 44 57,-1.7 3,-0.1 -2,-0.3 -88,-0.1 -0.466 25.9-140.3 -67.8 154.4 10.9 20.7 -0.7 150 212 A V S S+ 0 0 3 -90,-0.4 2,-2.4 1,-0.2 -78,-0.1 0.748 86.9 81.2 -91.4 -24.2 7.1 21.0 -1.2 151 213 A D S S+ 0 0 13 -80,-0.0 131,-1.9 -79,-0.0 2,-0.3 -0.284 85.8 85.1 -85.3 56.7 6.4 17.5 -2.8 152 214 A M E -J 281 0D 4 -2,-2.4 2,-0.3 129,-0.3 129,-0.2 -0.890 60.4-149.8-150.1 164.0 6.4 16.0 0.7 153 215 A E E -J 280 0D 50 127,-2.0 127,-2.7 -2,-0.3 2,-0.4 -0.990 21.7-121.4-144.7 146.4 4.2 15.3 3.6 154 216 A F E +J 279 0D 3 -2,-0.3 125,-0.3 -83,-0.3 124,-0.1 -0.687 30.5 169.1 -82.0 133.5 4.9 15.0 7.3 155 217 A R + 0 0 88 123,-3.0 2,-0.3 -2,-0.4 124,-0.2 0.508 64.5 13.2-117.3 -19.2 3.9 11.6 8.8 156 218 A D S S- 0 0 48 122,-1.8 -1,-0.2 120,-0.1 -77,-0.1 -0.889 102.0 -41.7-151.5 179.1 5.5 11.8 12.2 157 219 A H + 0 0 51 -2,-0.3 2,-0.4 -3,-0.1 -77,-0.2 -0.226 42.8 171.7 -53.2 126.7 7.1 14.2 14.7 158 220 A V B +i 80 0C 0 -79,-2.4 -77,-2.6 -82,-0.1 -76,-0.2 -0.949 31.7 140.3-132.4 105.2 9.6 16.8 13.3 159 221 A G > - 0 0 1 -2,-0.4 3,-1.9 -79,-0.2 4,-0.2 -0.441 62.8 -48.8-136.0-159.9 10.3 19.1 16.2 160 222 A V G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -80,-0.0 0.648 106.7 85.7 -66.1 -11.4 13.0 21.1 18.1 161 223 A E G 3 S+ 0 0 3 1,-0.3 -1,-0.3 -122,-0.0 -127,-0.0 0.733 88.7 56.6 -54.7 -19.7 15.5 18.2 18.2 162 224 A I G < S+ 0 0 0 -3,-1.9 -1,-0.3 93,-0.0 -2,-0.2 0.696 81.7 107.9 -84.5 -21.5 16.5 19.5 14.7 163 225 A L < + 0 0 3 -3,-1.5 3,-0.1 -4,-0.2 -17,-0.0 -0.374 36.1 121.0 -70.4 138.3 17.3 23.0 15.8 164 226 A T S S- 0 0 15 -2,-0.1 3,-0.2 91,-0.1 91,-0.1 -0.909 77.0 -80.4 178.5 160.6 21.0 24.0 15.9 165 227 A P S S+ 0 0 65 0, 0.0 46,-2.0 0, 0.0 2,-0.3 0.887 113.9 3.9 -50.4 -41.7 23.2 26.7 14.2 166 228 A L E S+G 210 0B 6 44,-0.3 88,-1.8 48,-0.1 89,-1.3 -0.947 71.5 174.8-151.8 118.1 23.5 24.6 10.9 167 229 A F E -Gh 209 255B 0 42,-3.2 42,-1.8 -2,-0.3 2,-0.3 -0.975 9.3-174.6-128.5 149.9 22.0 21.3 9.9 168 230 A G E - h 0 256B 0 87,-1.0 89,-2.9 -2,-0.4 2,-0.4 -0.833 22.7-127.1-122.0 174.2 21.9 19.0 6.9 169 231 A T E - 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