==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-APR-07 2PDL . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.STEUBER,A.HEINE,G.KLEBE . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 3 2 0 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 1 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 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 A A 0 0 123 0, 0.0 13,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 106.3 14.7 11.6 39.5 2 2 A S + 0 0 72 11,-0.1 12,-3.0 12,-0.1 13,-0.4 0.717 360.0 42.5 -96.1 -17.0 13.1 8.3 38.4 3 3 A R E -A 13 0A 128 10,-0.3 2,-0.4 11,-0.1 -1,-0.1 -0.940 60.7-147.7-132.2 149.0 10.6 9.2 35.7 4 4 A I E -A 12 0A 36 8,-2.2 8,-2.9 -2,-0.3 2,-0.4 -0.913 26.7-114.8-117.6 139.0 10.4 11.5 32.7 5 5 A L E -A 11 0A 110 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.613 29.2-150.9 -76.5 121.4 7.3 13.3 31.4 6 6 A L > - 0 0 3 4,-3.5 3,-2.0 -2,-0.4 198,-0.1 -0.562 28.3-108.0 -87.7 161.6 6.1 12.1 28.0 7 7 A N T 3 S+ 0 0 66 196,-0.4 171,-0.1 1,-0.3 -1,-0.1 0.450 117.2 65.3 -71.7 -1.2 4.3 14.3 25.5 8 8 A N T 3 S- 0 0 62 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.346 121.2-105.7 -95.3 5.8 1.1 12.3 26.2 9 9 A G S < S+ 0 0 59 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.300 83.9 118.4 89.2 -9.5 1.1 13.5 29.8 10 10 A A - 0 0 33 144,-0.1 -4,-3.5 95,-0.1 2,-0.4 -0.495 61.1-123.9 -89.7 160.1 2.3 10.2 31.3 11 11 A K E -A 5 0A 116 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.896 20.2-159.4-104.9 134.9 5.6 9.6 33.3 12 12 A M E -A 4 0A 1 -8,-2.9 -8,-2.2 -2,-0.4 29,-0.1 -0.935 23.0-117.3-115.2 124.5 8.1 6.9 32.2 13 13 A P E -A 3 0A 13 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.377 18.2-141.2 -59.2 136.1 10.7 5.3 34.5 14 14 A I S S+ 0 0 18 -12,-3.0 245,-3.0 244,-0.1 2,-0.4 0.644 87.2 57.3 -79.9 -14.1 14.1 6.2 33.2 15 15 A L B +b 259 0B 3 -13,-0.4 25,-0.5 243,-0.2 26,-0.3 -0.990 67.3 164.6-112.3 123.1 15.5 2.7 34.0 16 16 A G - 0 0 0 243,-2.1 2,-0.5 -2,-0.4 26,-0.3 -0.879 37.6-109.7-128.3 165.4 13.7 -0.4 32.5 17 17 A L B -c 42 0B 2 24,-2.3 26,-3.0 -2,-0.3 245,-0.3 -0.867 29.1-142.1 -92.4 122.5 14.7 -4.1 32.1 18 18 A G B -j 262 0C 5 243,-1.8 245,-0.6 -2,-0.5 26,-0.1 -0.502 13.5-170.6 -78.6 159.9 15.4 -5.3 28.6 19 19 A T > + 0 0 0 24,-0.5 3,-1.4 -2,-0.2 2,-0.4 0.162 36.8 129.1-136.6 7.9 14.2 -8.8 27.5 20 20 A W T 3 S+ 0 0 69 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.683 88.8 5.3 -72.5 127.5 15.8 -9.5 24.1 21 21 A K T 3 S+ 0 0 52 -2,-0.4 -1,-0.3 1,-0.3 28,-0.0 0.395 90.5 143.6 74.9 5.4 17.6 -12.9 24.2 22 22 A S < - 0 0 4 -3,-1.4 -1,-0.3 1,-0.1 5,-0.1 -0.701 57.0-120.2 -70.8 115.4 16.2 -13.5 27.7 23 23 A P >> - 0 0 51 0, 0.0 3,-2.1 0, 0.0 4,-1.7 -0.247 10.7-124.0 -65.1 144.4 15.5 -17.2 27.5 24 24 A P H 3> S+ 0 0 66 0, 0.0 4,-0.6 0, 0.0 3,-0.1 0.864 111.0 56.2 -56.3 -32.9 11.8 -18.2 28.1 25 25 A G H 34 S+ 0 0 81 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.630 118.7 30.2 -74.2 -10.4 12.9 -20.5 31.0 26 26 A Q H <> S+ 0 0 91 -3,-2.1 4,-1.9 2,-0.1 -1,-0.2 0.487 98.5 78.2-120.4 -11.9 14.6 -17.7 32.9 27 27 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.777 86.2 61.3 -85.0 -19.7 12.8 -14.5 32.1 28 28 A T H X S+ 0 0 28 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.964 110.8 41.3 -64.7 -47.2 9.9 -15.0 34.4 29 29 A E H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.922 112.3 55.8 -62.6 -43.3 12.2 -15.1 37.4 30 30 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.938 110.1 44.7 -60.2 -42.3 14.3 -12.2 36.0 31 31 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.892 112.0 52.5 -71.0 -35.1 11.2 -10.0 35.7 32 32 A K H X S+ 0 0 60 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.936 112.3 45.3 -62.4 -43.9 10.0 -11.0 39.2 33 33 A V H X S+ 0 0 32 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.921 111.1 53.6 -64.6 -41.1 13.4 -10.1 40.7 34 34 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.3 4,-0.5 0.945 110.9 45.1 -60.3 -48.7 13.5 -6.9 38.8 35 35 A I H ><5S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.913 111.0 55.4 -59.2 -44.7 10.0 -5.9 40.2 36 36 A D H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.1 43.7 -60.6 -33.0 11.1 -7.0 43.7 37 37 A V T 3<5S- 0 0 56 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.417 131.3 -78.1-100.0 7.2 14.2 -4.7 43.6 38 38 A G T < 5S+ 0 0 23 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.179 78.0 136.6 132.4 -21.9 12.6 -1.6 42.1 39 39 A Y < + 0 0 0 -5,-2.4 -1,-0.4 -6,-0.2 -23,-0.1 -0.392 15.8 169.7 -69.1 144.1 12.1 -1.8 38.4 40 40 A R + 0 0 69 -25,-0.5 33,-2.8 1,-0.1 2,-0.4 0.253 59.2 69.3-128.8 3.9 8.8 -0.5 37.1 41 41 A H E - d 0 73B 0 -26,-0.3 -24,-2.3 31,-0.2 2,-0.4 -0.997 56.0-174.1-132.3 123.6 9.5 -0.5 33.4 42 42 A I E -cd 17 74B 0 31,-1.6 33,-2.3 -2,-0.4 2,-0.6 -0.978 15.5-146.1-119.9 129.6 9.9 -3.7 31.3 43 43 A D E + d 0 75B 5 -26,-3.0 -24,-0.5 -2,-0.4 2,-0.2 -0.930 31.9 167.8-100.1 119.3 10.9 -3.5 27.6 44 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.700 19.8-169.9-122.8 167.8 9.3 -6.2 25.5 45 45 A A > > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.888 30.6-132.5-163.3 143.6 8.6 -7.4 22.0 46 46 A H G > 5S+ 0 0 34 31,-0.9 3,-1.5 -2,-0.3 5,-0.2 0.846 108.8 60.0 -54.7 -41.0 6.6 -10.0 20.1 47 47 A V G 3 5S+ 0 0 17 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.676 90.2 69.3 -68.7 -15.6 9.7 -10.9 18.1 48 48 A Y G < 5S- 0 0 41 -3,-1.5 -1,-0.3 1,-0.1 -27,-0.2 0.670 95.3-141.2 -75.3 -16.0 11.6 -11.9 21.3 49 49 A Q T < 5S+ 0 0 141 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.714 78.3 90.1 67.6 25.7 9.3 -14.9 21.6 50 50 A N >< + 0 0 0 -5,-0.5 4,-2.0 2,-0.1 5,-0.2 0.219 41.7 109.8-137.1 14.9 9.1 -14.5 25.4 51 51 A E H > S+ 0 0 3 1,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.835 76.0 58.3 -68.2 -28.7 6.2 -12.2 26.1 52 52 A N H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 109.5 44.1 -65.0 -41.4 4.1 -15.0 27.6 53 53 A E H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.818 112.2 52.8 -69.9 -35.9 6.7 -15.7 30.3 54 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.940 108.6 51.7 -63.5 -44.7 7.2 -12.0 30.9 55 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.868 102.1 59.2 -61.1 -37.2 3.5 -11.7 31.4 56 56 A V H X S+ 0 0 51 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.945 107.9 46.7 -58.7 -40.6 3.5 -14.6 33.9 57 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.922 111.6 50.0 -63.9 -46.5 5.9 -12.6 36.1 58 58 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.942 112.6 47.3 -57.8 -46.6 3.9 -9.4 35.8 59 59 A Q H X S+ 0 0 83 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.918 109.3 53.0 -67.2 -39.8 0.7 -11.1 36.7 60 60 A E H X S+ 0 0 60 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.901 110.6 47.2 -60.3 -41.7 2.2 -12.9 39.7 61 61 A K H <>S+ 0 0 15 -4,-2.2 5,-2.3 2,-0.2 6,-1.1 0.868 112.7 49.4 -71.7 -32.6 3.5 -9.7 41.1 62 62 A L H ><5S+ 0 0 42 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.930 113.8 46.6 -61.2 -45.9 0.1 -8.0 40.6 63 63 A R H 3<5S+ 0 0 183 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 110.0 52.9 -65.9 -38.9 -1.6 -10.9 42.3 64 64 A E T 3<5S- 0 0 96 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.492 112.0-119.2 -74.6 -6.1 0.9 -10.9 45.2 65 65 A Q T < 5S+ 0 0 177 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.822 76.9 128.1 67.6 32.6 0.3 -7.2 45.8 66 66 A V S > - 0 0 125 -2,-0.3 3,-1.4 -3,-0.1 4,-0.7 -0.794 27.6-119.6-103.2 145.7 -0.1 -2.0 41.2 69 69 A R G >4 S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.866 112.7 59.0 -55.9 -38.0 -0.7 -1.9 37.5 70 70 A E G 34 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.785 101.9 54.6 -64.4 -23.6 -0.7 1.9 37.5 71 71 A E G <4 S+ 0 0 89 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.614 95.7 84.3 -86.1 -12.4 2.9 1.9 38.8 72 72 A L << - 0 0 2 -3,-1.1 2,-0.4 -4,-0.7 -31,-0.2 -0.622 60.3-159.3 -90.8 156.0 4.1 -0.4 36.0 73 73 A F E -d 41 0B 7 -33,-2.8 -31,-1.6 -2,-0.2 2,-0.5 -0.922 14.9-173.4-134.2 100.2 5.3 0.9 32.6 74 74 A I E -d 42 0B 0 -2,-0.4 31,-1.4 -33,-0.2 32,-1.4 -0.862 0.7-169.4-107.6 126.3 5.2 -1.9 30.1 75 75 A V E +de 43 106B 0 -33,-2.3 -31,-2.4 -2,-0.5 2,-0.3 -0.937 10.3 166.3-116.7 136.2 6.5 -1.4 26.6 76 76 A S E - e 0 107B 0 30,-1.8 32,-2.3 -2,-0.4 2,-0.4 -0.847 21.9-130.8-140.2-179.3 6.2 -3.6 23.5 77 77 A K E - e 0 108B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.6 -0.994 15.2-120.3-144.2 138.2 6.8 -3.3 19.8 78 78 A L E - e 0 109B 0 30,-2.9 32,-1.6 -2,-0.4 33,-0.4 -0.679 39.4-128.9 -75.7 112.9 5.0 -4.0 16.5 79 79 A W > - 0 0 13 -2,-0.6 3,-1.7 31,-0.1 36,-0.1 -0.198 20.6-106.8 -68.4 156.8 7.1 -6.4 14.5 80 80 A C G > S+ 0 0 0 1,-0.3 35,-2.5 2,-0.2 3,-0.9 0.719 113.4 61.7 -53.5 -29.7 8.1 -5.7 10.9 81 81 A T G 3 S+ 0 0 2 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.395 100.2 57.5 -85.4 5.2 5.7 -8.3 9.3 82 82 A Y G < + 0 0 52 -3,-1.7 -1,-0.2 1,-0.1 5,-0.2 0.043 65.1 113.4-122.3 23.5 2.7 -6.5 10.8 83 83 A H < + 0 0 1 -3,-0.9 60,-0.1 32,-0.3 -1,-0.1 0.747 48.0 104.0 -67.7 -23.8 3.1 -3.0 9.3 84 84 A E S >> S- 0 0 42 1,-0.1 3,-2.6 -3,-0.1 4,-0.9 -0.373 81.9-124.5 -60.7 136.5 -0.1 -3.3 7.1 85 85 A K H >> S+ 0 0 92 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.862 108.9 58.6 -51.6 -39.1 -2.9 -1.3 8.8 86 86 A G H 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.583 107.4 46.7 -64.3 -14.7 -5.1 -4.4 8.8 87 87 A L H <> S+ 0 0 67 -3,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.580 89.6 83.3-104.6 -12.3 -2.6 -6.4 10.9 88 88 A V H S+ 0 0 42 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.858 109.9 52.1 -62.7 -40.0 -4.3 -8.0 16.0 91 91 A A H X S+ 0 0 12 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.921 113.2 45.5 -59.4 -44.0 -0.5 -7.8 16.6 92 92 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.905 109.9 54.1 -63.9 -41.5 -1.2 -5.6 19.5 93 93 A Q H X S+ 0 0 98 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.839 107.2 51.5 -65.8 -37.5 -3.9 -7.8 20.8 94 94 A K H X S+ 0 0 98 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.942 110.1 48.7 -62.2 -47.3 -1.6 -10.9 20.8 95 95 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.950 111.7 49.2 -60.7 -45.2 1.0 -9.0 22.8 96 96 A L H X>S+ 0 0 11 -4,-2.6 5,-2.0 2,-0.2 4,-0.8 0.928 112.2 48.3 -59.2 -45.0 -1.6 -7.8 25.3 97 97 A S H ><5S+ 0 0 84 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.939 113.6 47.4 -65.8 -44.3 -2.9 -11.4 25.7 98 98 A D H 3<5S+ 0 0 19 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 115.1 43.5 -61.5 -43.8 0.6 -12.8 26.1 99 99 A L H 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.559 109.0-126.9 -77.9 -5.5 1.6 -10.1 28.7 100 100 A K T <<5 + 0 0 68 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.875 65.4 129.9 56.8 48.7 -1.7 -10.6 30.4 101 101 A L < - 0 0 19 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.812 57.9-148.6-118.9 156.4 -2.4 -6.8 30.2 102 102 A D S S+ 0 0 118 1,-0.3 2,-0.3 -2,-0.3 -6,-0.1 0.535 87.1 17.8-109.4 -4.3 -5.4 -4.9 29.1 103 103 A Y - 0 0 37 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.956 67.7-135.0-146.6 158.6 -3.3 -1.9 27.9 104 104 A L B -k 153 0D 0 48,-1.7 50,-2.5 -2,-0.3 51,-0.4 -0.872 12.1-143.8 -98.4 142.7 0.3 -1.2 27.1 105 105 A D S S+ 0 0 18 -31,-1.4 2,-0.3 -2,-0.4 -30,-0.2 0.828 89.0 10.1 -71.4 -28.1 1.9 2.0 28.5 106 106 A L E -e 75 0B 1 -32,-1.4 -30,-1.8 48,-0.2 2,-0.4 -0.972 62.1-169.2-154.1 132.0 3.9 2.4 25.2 107 107 A Y E -ef 76 156B 1 48,-1.5 50,-1.9 -2,-0.3 2,-0.3 -0.994 15.9-164.1-129.4 120.4 3.7 0.6 21.9 108 108 A L E -ef 77 157B 0 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.7 -0.833 30.4-121.3-104.4 145.3 6.5 1.2 19.4 109 109 A I E -ef 78 158B 0 48,-2.2 50,-1.0 -2,-0.3 -30,-0.1 -0.726 36.1-150.5 -71.7 114.1 6.9 0.6 15.6 110 110 A H + 0 0 10 -32,-1.6 -1,-0.2 -2,-0.7 -31,-0.1 0.857 69.3 4.4 -65.9 -40.0 9.9 -1.7 16.2 111 111 A W - 0 0 29 -33,-0.4 -1,-0.2 2,-0.1 49,-0.1 -0.973 65.6-127.3-143.6 145.2 11.7 -0.9 12.9 112 112 A P S S+ 0 0 0 0, 0.0 2,-0.6 0, 0.0 197,-0.1 0.683 88.0 91.6 -64.5 -18.6 10.9 1.6 10.1 113 113 A T - 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0 0 8 -2,-0.5 4,-2.5 153,-0.2 5,-0.3 -0.255 35.8 -84.8 -82.9-178.2 16.6 8.1 11.7 163 163 A H H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 128.0 47.8 -58.0 -51.6 16.3 11.9 11.5 164 164 A L H > S+ 0 0 77 151,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.818 113.6 50.3 -57.4 -33.3 14.5 12.0 8.1 165 165 A Q H > S+ 0 0 10 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.893 110.8 45.7 -79.8 -37.3 12.1 9.3 9.3 166 166 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 114.3 51.0 -63.5 -43.5 11.2 11.0 12.6 167 167 A E H X S+ 0 0 77 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.864 105.7 56.3 -61.6 -38.7 10.8 14.2 10.5 168 168 A M H < S+ 0 0 89 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.885 109.7 44.8 -59.2 -42.4 8.5 12.2 8.1 169 169 A I H >< S+ 0 0 0 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.960 111.3 52.6 -68.9 -45.5 6.2 11.2 11.0 170 170 A L H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.0 45.2 -62.0 -27.4 6.2 14.7 12.4 171 171 A N T 3< S+ 0 0 114 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.227 82.0 138.3 -98.9 13.6 5.2 16.1 9.0 172 172 A K X - 0 0 32 -3,-2.3 3,-2.2 1,-0.1 2,-0.2 -0.340 63.6-110.4 -58.4 129.3 2.5 13.5 8.4 173 173 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.435 103.7 9.7 -61.5 128.3 -0.6 15.0 6.9 174 174 A G T 3 S- 0 0 72 1,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 0.644 85.5-176.8 77.8 15.9 -3.3 14.9 9.5 175 175 A L < + 0 0 48 -3,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.192 9.0 178.2 -50.7 130.2 -0.9 13.8 12.3 176 176 A K + 0 0 125 1,-0.4 2,-0.4 0, 0.0 -1,-0.1 0.818 65.8 25.4-107.1 -45.6 -3.1 13.2 15.4 177 177 A Y S S- 0 0 75 -36,-0.1 -1,-0.4 -22,-0.0 -32,-0.1 -0.990 73.4-137.4-125.5 130.3 -0.5 12.0 17.9 178 178 A K - 0 0 115 -2,-0.4 -22,-0.3 -3,-0.1 2,-0.0 -0.437 39.9 -93.3 -69.1 146.8 3.2 12.8 17.9 179 179 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.384 31.1-157.8 -61.0 144.7 5.5 9.9 18.7 180 180 A A S S+ 0 0 2 -24,-2.2 25,-2.3 1,-0.3 2,-0.3 0.784 70.9 21.1 -90.9 -32.2 6.3 9.8 22.4 181 181 A V E - h 0 205B 0 23,-0.2 -23,-2.9 -25,-0.2 2,-0.5 -0.983 51.1-160.1-142.8 140.7 9.5 7.9 22.2 182 182 A N E -gh 158 206B 0 23,-2.2 25,-1.7 -2,-0.3 2,-0.7 -0.992 20.9-157.5-120.5 114.0 12.2 7.1 19.7 183 183 A Q E +gh 159 207B 6 -25,-2.2 -23,-1.9 -2,-0.5 2,-0.3 -0.843 26.1 158.7 -99.2 112.6 14.0 4.0 21.0 184 184 A I E - h 0 208B 4 23,-2.4 25,-2.2 -2,-0.7 2,-0.1 -0.915 47.5 -89.2-134.1 156.5 17.5 3.7 19.4 185 185 A E E + h 0 209B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.451 54.2 164.7 -67.3 138.0 20.9 2.1 20.1 186 186 A C + 0 0 2 23,-2.2 5,-0.2 -2,-0.1 27,-0.1 -0.884 8.7 123.9-162.6 129.9 23.1 4.4 22.2 187 187 A H B > S-N 190 0G 3 3,-1.4 3,-2.4 -2,-0.3 25,-0.1 -0.910 73.8 -70.6-171.2 171.4 26.3 4.0 24.3 188 188 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 60,-0.0 0.765 132.2 49.7 -55.9 -25.4 29.8 5.5 24.4 189 189 A Y T 3 S+ 0 0 9 1,-0.2 106,-2.2 103,-0.2 104,-2.0 0.561 123.8 31.1 -82.6 -7.5 30.8 3.9 21.1 190 190 A L B < S+N 187 0G 2 -3,-2.4 -3,-1.4 104,-0.2 -1,-0.2 -0.656 71.2 167.3-146.4 84.1 27.5 5.2 19.4 191 191 A T - 0 0 0 -3,-0.3 5,-0.1 -5,-0.2 -2,-0.1 0.683 24.3-155.2 -87.6 -17.6 26.6 8.5 21.1 192 192 A Q > + 0 0 10 1,-0.1 4,-2.6 122,-0.1 5,-0.3 0.775 25.8 165.2 55.7 35.7 24.0 9.8 18.7 193 193 A E H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 72.2 44.9 -52.0 -46.0 24.4 13.5 19.5 194 194 A K H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 115.7 43.3 -68.7 -42.8 22.5 14.7 16.4 195 195 A L H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.952 116.5 48.5 -69.8 -43.7 19.5 12.3 16.5 196 196 A I H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.939 112.0 47.8 -60.3 -46.1 19.1 12.7 20.2 197 197 A Q H X S+ 0 0 109 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.914 112.9 50.6 -63.0 -37.7 19.3 16.5 20.1 198 198 A Y H X S+ 0 0 21 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.931 112.5 44.9 -64.8 -45.6 16.8 16.5 17.2 199 199 A C H ><>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 3,-1.1 0.937 112.9 49.4 -65.0 -45.3 14.3 14.2 19.0 200 200 A Q H ><5S+ 0 0 70 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.922 105.0 59.4 -61.3 -37.4 14.5 16.1 22.3 201 201 A S H 3<5S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.735 107.3 48.0 -64.3 -19.5 14.0 19.4 20.5 202 202 A K T <<5S- 0 0 99 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.389 122.3-105.4-100.0 1.7 10.7 18.0 19.3 203 203 A G T < 5S+ 0 0 40 -3,-2.2 2,-0.5 -4,-0.3 -196,-0.4 0.663 76.4 137.6 82.8 12.3 9.6 16.8 22.7 204 204 A I < - 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