==== 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 2PDN . 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) . 13731.0 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 . 34 10.8 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 0 0 0 3 2 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 0 129 0, 0.0 13,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.1 7.3 38.5 -18.7 2 2 A S + 0 0 66 11,-0.1 12,-2.9 12,-0.1 13,-0.5 0.688 360.0 47.5 -99.9 -12.5 9.4 36.9 -16.0 3 3 A R E -A 13 0A 128 10,-0.3 2,-0.4 11,-0.1 -1,-0.0 -0.935 63.2-146.1-127.9 151.2 6.9 34.9 -14.0 4 4 A I E -A 12 0A 40 8,-2.9 8,-2.9 -2,-0.3 2,-0.4 -0.923 27.0-113.3-115.4 139.3 4.1 32.4 -14.9 5 5 A L E -A 11 0A 109 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.571 28.7-155.7 -74.1 122.4 0.9 32.0 -12.9 6 6 A L > - 0 0 6 4,-3.3 3,-1.6 -2,-0.4 198,-0.1 -0.498 32.0-104.7 -86.5 166.0 0.4 28.7 -11.1 7 7 A N T 3 S+ 0 0 81 1,-0.3 171,-0.1 196,-0.2 -1,-0.1 0.409 118.1 63.6 -70.7 2.6 -3.0 27.2 -10.1 8 8 A N T 3 S- 0 0 57 2,-0.2 -1,-0.3 169,-0.1 3,-0.1 0.308 120.0-107.0-105.8 5.4 -2.4 28.2 -6.4 9 9 A G S < S+ 0 0 57 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.451 82.5 122.5 81.4 0.9 -2.4 31.8 -7.4 10 10 A A - 0 0 16 144,-0.1 -4,-3.3 95,-0.1 2,-0.5 -0.595 59.7-125.0 -91.3 159.4 1.3 32.2 -7.0 11 11 A K E -A 5 0A 102 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.911 18.5-157.4-109.0 128.5 3.8 33.3 -9.7 12 12 A M E -A 4 0A 1 -8,-2.9 -8,-2.9 -2,-0.5 2,-0.1 -0.898 23.0-117.0-107.0 126.1 6.8 31.3 -10.6 13 13 A P E -A 3 0A 13 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.426 17.1-142.4 -62.0 134.1 9.9 32.7 -12.2 14 14 A I S S+ 0 0 21 -12,-2.9 245,-3.2 1,-0.1 2,-0.5 0.686 86.4 55.7 -76.7 -15.3 10.3 31.2 -15.7 15 15 A L B +b 259 0B 4 -13,-0.5 25,-0.6 243,-0.2 26,-0.5 -0.929 69.2 160.6-119.0 118.0 14.1 31.2 -15.3 16 16 A G E -c 41 0B 0 243,-2.7 2,-0.5 -2,-0.5 26,-0.3 -0.812 38.8-100.1-127.3 177.4 15.8 29.4 -12.4 17 17 A L E -c 42 0B 1 24,-2.3 26,-2.8 -2,-0.3 245,-0.2 -0.864 28.5-142.8-101.5 121.1 19.1 27.9 -11.3 18 18 A G B -j 262 0C 6 243,-2.0 245,-0.7 -2,-0.5 26,-0.1 -0.461 15.6-176.8 -73.3 148.0 19.7 24.2 -11.5 19 19 A T > + 0 0 0 24,-0.5 3,-1.8 -2,-0.2 2,-0.3 0.341 34.7 127.4-131.2 7.6 21.8 22.6 -8.7 20 20 A W T 3 S+ 0 0 64 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.547 88.4 6.3 -68.3 128.5 22.1 18.9 -9.6 21 21 A K T 3 S+ 0 0 54 -2,-0.3 -1,-0.3 1,-0.3 28,-0.0 0.479 89.4 139.0 77.7 5.2 25.8 18.0 -9.5 22 22 A S < - 0 0 3 -3,-1.8 -1,-0.3 241,-0.1 5,-0.1 -0.739 56.5-125.6 -77.1 113.0 26.9 21.4 -8.1 23 23 A P >> - 0 0 48 0, 0.0 4,-2.6 0, 0.0 3,-2.0 -0.206 8.0-124.6 -60.0 148.2 29.5 20.4 -5.5 24 24 A P H 3> S+ 0 0 62 0, 0.0 4,-0.5 0, 0.0 26,-0.0 0.834 113.8 66.2 -57.3 -29.3 29.0 21.7 -2.0 25 25 A G H 34 S+ 0 0 68 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.662 120.5 15.9 -63.5 -14.6 32.5 23.1 -2.5 26 26 A Q H <> S+ 0 0 96 -3,-2.0 4,-1.9 2,-0.1 -1,-0.2 0.499 102.1 83.3-135.5 -16.2 31.0 25.5 -5.1 27 27 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.822 86.3 61.0 -73.3 -26.1 27.2 25.7 -5.0 28 28 A T H X S+ 0 0 24 -4,-0.5 4,-2.2 -5,-0.2 -1,-0.2 0.959 109.3 42.4 -64.3 -47.9 27.1 28.3 -2.2 29 29 A E H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.875 112.0 57.0 -61.3 -41.4 29.1 30.8 -4.4 30 30 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 109.4 43.5 -53.3 -49.6 26.9 29.7 -7.4 31 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.921 112.3 53.0 -67.9 -42.5 23.7 30.6 -5.6 32 32 A K H X S+ 0 0 44 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.916 112.7 44.2 -60.3 -43.8 25.1 33.9 -4.2 33 33 A V H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.915 111.4 54.6 -65.4 -42.7 26.1 35.0 -7.7 34 34 A A H X>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.3 4,-0.6 0.943 109.6 45.8 -56.2 -49.1 22.8 33.9 -9.1 35 35 A I H ><5S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.869 109.7 56.1 -62.9 -39.9 20.8 36.0 -6.7 36 36 A D H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.5 43.9 -61.5 -39.8 23.1 39.0 -7.3 37 37 A V H 3<5S- 0 0 60 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.458 131.8 -83.7 -94.3 7.6 22.5 38.9 -11.1 38 38 A G T <<5S+ 0 0 22 -3,-0.7 -3,-0.2 -4,-0.6 2,-0.2 0.433 75.0 141.5 124.3 -6.2 18.7 38.4 -10.8 39 39 A Y < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.1 -0.463 13.2 169.1 -66.8 138.5 17.8 34.8 -10.3 40 40 A R + 0 0 67 -25,-0.6 33,-3.3 -2,-0.2 2,-0.5 0.451 58.2 71.3-121.0 -4.7 14.9 34.3 -7.9 41 41 A H E -cd 16 73B 1 -26,-0.5 -24,-2.3 31,-0.2 2,-0.4 -0.974 57.0-174.7-121.1 123.0 14.1 30.7 -8.5 42 42 A I E -cd 17 74B 0 31,-1.3 33,-2.6 -2,-0.5 2,-0.6 -0.982 15.1-147.5-121.0 125.3 16.4 27.9 -7.3 43 43 A D E + d 0 75B 4 -26,-2.8 -24,-0.5 -2,-0.4 2,-0.2 -0.904 31.0 167.3 -96.7 116.9 15.7 24.2 -8.2 44 44 A C - 0 0 0 31,-2.0 2,-0.3 -2,-0.6 3,-0.1 -0.735 19.7-168.8-123.2 170.4 16.9 21.9 -5.4 45 45 A A > - 0 0 0 -2,-0.2 3,-1.5 31,-0.2 5,-0.5 -0.923 30.2-132.4-162.4 141.0 16.6 18.3 -4.3 46 46 A H G > S+ 0 0 19 31,-0.9 3,-1.7 -2,-0.3 5,-0.2 0.881 110.4 59.9 -58.1 -35.7 17.4 16.3 -1.2 47 47 A V G 3 S+ 0 0 25 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.684 90.9 68.2 -69.1 -15.6 19.1 13.7 -3.4 48 48 A Y G < S- 0 0 37 -3,-1.5 -1,-0.3 1,-0.1 -27,-0.2 0.575 93.9-146.4 -79.6 -7.7 21.5 16.3 -4.7 49 49 A Q S < S+ 0 0 111 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.662 75.6 89.9 46.5 37.3 23.1 16.4 -1.2 50 50 A N > + 0 0 0 -5,-0.5 4,-2.0 -27,-0.1 3,-0.3 0.136 43.0 113.1-132.7 10.4 23.9 20.1 -1.3 51 51 A E H > S+ 0 0 4 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.884 76.5 56.4 -61.4 -36.2 20.7 21.6 0.1 52 52 A N H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.941 108.5 46.8 -59.2 -43.5 22.6 22.8 3.2 53 53 A E H > S+ 0 0 60 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.782 111.7 51.2 -70.8 -31.2 25.1 24.8 1.0 54 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.927 109.6 50.3 -65.9 -42.8 22.2 26.2 -1.0 55 55 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.868 104.7 58.8 -62.9 -34.8 20.6 27.3 2.3 56 56 A V H X S+ 0 0 55 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.932 108.1 45.8 -57.7 -47.5 23.8 28.9 3.4 57 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.917 112.8 48.3 -64.6 -45.4 23.8 31.1 0.3 58 58 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.964 111.0 51.0 -60.3 -47.2 20.1 32.1 0.6 59 59 A Q H X S+ 0 0 80 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.899 109.8 52.0 -56.1 -43.6 20.5 32.9 4.3 60 60 A E H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.904 110.0 45.7 -57.9 -54.5 23.5 35.1 3.5 61 61 A K H <>S+ 0 0 13 -4,-2.3 5,-2.5 2,-0.2 6,-1.1 0.812 110.6 53.6 -71.8 -24.5 21.8 37.2 0.9 62 62 A L H ><5S+ 0 0 58 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.896 111.6 47.4 -64.3 -42.6 18.7 37.6 3.0 63 63 A R H 3<5S+ 0 0 180 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.810 108.3 53.3 -70.9 -34.4 21.1 38.9 5.7 64 64 A E T 3<5S- 0 0 95 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.439 113.3-120.4 -74.2 -6.9 22.9 41.2 3.3 65 65 A Q T < 5S+ 0 0 181 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.768 76.1 128.3 66.8 31.5 19.5 42.7 2.4 66 66 A V S > - 0 0 103 -2,-0.3 3,-1.4 -3,-0.1 4,-0.7 -0.846 30.2-115.2-105.2 153.3 13.5 39.1 0.7 69 69 A R G >4 S+ 0 0 28 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.867 113.6 60.4 -48.8 -44.1 12.2 35.6 1.2 70 70 A E G 34 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.707 101.2 54.5 -60.5 -26.4 8.9 36.6 -0.5 71 71 A E G <4 S+ 0 0 88 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.648 95.2 84.9 -83.6 -18.5 10.8 37.4 -3.7 72 72 A L << - 0 0 3 -3,-1.4 2,-0.4 -4,-0.7 -31,-0.2 -0.528 61.2-157.2 -86.1 149.8 12.4 34.0 -3.9 73 73 A F E -d 41 0B 8 -33,-3.3 -31,-1.3 -2,-0.2 2,-0.5 -0.867 16.8-171.6-129.9 93.3 10.9 30.8 -5.4 74 74 A I E -d 42 0B 0 -2,-0.4 31,-1.8 -33,-0.2 32,-1.5 -0.824 0.4-168.2-100.4 125.0 12.6 27.8 -3.9 75 75 A V E +de 43 106B 0 -33,-2.6 -31,-2.0 -2,-0.5 2,-0.3 -0.888 10.8 166.7-109.2 133.7 11.8 24.3 -5.3 76 76 A S E - e 0 107B 0 30,-1.9 32,-2.5 -2,-0.4 2,-0.4 -0.886 20.7-133.9-138.1 179.2 12.7 21.0 -3.8 77 77 A K E - e 0 108B 0 -2,-0.3 -31,-0.9 30,-0.2 2,-0.5 -0.989 15.8-120.6-140.1 137.5 11.7 17.4 -4.4 78 78 A L E - e 0 109B 0 30,-3.0 32,-1.9 -2,-0.4 33,-0.4 -0.671 38.9-128.9 -72.0 116.6 10.7 14.3 -2.5 79 79 A W > - 0 0 9 -2,-0.5 3,-1.9 31,-0.1 36,-0.1 -0.279 19.7-109.2 -74.2 156.7 13.2 11.5 -3.1 80 80 A C G > S+ 0 0 0 1,-0.3 35,-2.9 2,-0.2 3,-0.8 0.690 112.8 62.6 -58.4 -24.9 12.1 8.0 -4.2 81 81 A T G 3 S+ 0 0 1 1,-0.2 37,-0.3 33,-0.2 -1,-0.3 0.414 100.5 55.7 -87.6 5.6 13.0 6.3 -0.9 82 82 A Y G < + 0 0 52 -3,-1.9 -1,-0.2 35,-0.1 5,-0.2 -0.008 66.4 113.7-120.0 23.2 10.5 8.5 1.0 83 83 A H < + 0 0 3 -3,-0.8 53,-0.2 32,-0.3 60,-0.1 0.711 46.1 105.9 -76.0 -14.7 7.3 7.7 -0.9 84 84 A E S >> S- 0 0 49 1,-0.1 3,-2.5 -3,-0.1 4,-0.9 -0.420 80.6-124.1 -62.0 139.0 5.6 6.0 2.1 85 85 A K H >> S+ 0 0 101 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.848 110.0 56.0 -56.7 -36.9 3.0 8.3 3.6 86 86 A G H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.487 109.3 47.9 -71.5 -4.6 4.6 8.1 7.0 87 87 A L H <> S+ 0 0 68 -3,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.574 88.5 81.5-109.9 -15.7 7.9 9.3 5.6 88 88 A V H S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.2 50.1 -61.0 -42.9 10.0 14.0 7.6 91 91 A A H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.906 113.0 47.1 -62.6 -40.0 11.6 14.2 4.2 92 92 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.929 112.0 49.3 -68.6 -46.9 10.1 17.6 3.6 93 93 A Q H X S+ 0 0 92 -4,-3.3 4,-2.6 -5,-0.2 -1,-0.2 0.847 107.6 55.0 -62.3 -31.9 11.2 18.9 7.0 94 94 A K H X S+ 0 0 102 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.925 110.3 46.2 -66.9 -41.2 14.7 17.7 6.5 95 95 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.938 112.8 49.7 -64.3 -43.2 14.9 19.7 3.2 96 96 A L H X>S+ 0 0 8 -4,-2.7 5,-2.3 2,-0.2 4,-0.5 0.933 112.6 48.1 -60.6 -42.8 13.4 22.7 5.0 97 97 A S H ><5S+ 0 0 83 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.938 113.1 47.0 -66.2 -44.9 15.9 22.4 7.8 98 98 A D H 3<5S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -43,-0.2 0.895 115.3 45.0 -61.2 -42.7 18.9 22.0 5.4 99 99 A L H 3<5S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.503 108.3-129.6 -81.3 -0.6 17.7 25.0 3.3 100 100 A K T <<5 + 0 0 75 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.826 63.8 130.2 50.5 44.2 17.1 26.9 6.6 101 101 A L < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.774 59.6-146.6-118.5 164.7 13.6 27.8 5.4 102 102 A D S S+ 0 0 126 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.562 85.4 15.7-109.4 -7.1 10.1 27.6 6.9 103 103 A Y - 0 0 42 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.973 64.2-136.8-153.2 156.0 8.3 26.9 3.7 104 104 A L B -k 153 0D 0 48,-1.6 50,-2.5 -2,-0.3 51,-0.3 -0.880 13.6-142.7-106.1 147.1 9.0 25.8 0.1 105 105 A D S S+ 0 0 7 -31,-1.8 2,-0.3 -2,-0.4 -30,-0.2 0.818 89.2 9.3 -75.0 -30.0 7.3 27.6 -2.8 106 106 A L E -e 75 0B 0 -32,-1.5 -30,-1.9 48,-0.2 2,-0.4 -0.971 63.0-167.5-152.8 132.5 7.0 24.3 -4.7 107 107 A Y E -ef 76 156B 1 48,-1.7 50,-2.1 -2,-0.3 2,-0.4 -0.993 15.7-162.3-128.3 126.6 7.6 20.6 -3.7 108 108 A L E -ef 77 157B 0 -32,-2.5 -30,-3.0 -2,-0.4 2,-0.7 -0.857 29.1-121.9-112.3 142.4 7.7 17.9 -6.3 109 109 A I E -ef 78 158B 1 48,-2.1 50,-1.1 -2,-0.4 -30,-0.1 -0.734 35.5-149.0 -68.9 112.8 7.4 14.2 -6.3 110 110 A H S S+ 0 0 10 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.889 70.6 0.5 -65.4 -40.6 10.9 13.7 -7.9 111 111 A W - 0 0 43 -33,-0.4 -1,-0.2 2,-0.2 49,-0.2 -0.974 69.1-122.3-141.6 148.4 10.1 10.5 -9.8 112 112 A P S S+ 0 0 2 0, 0.0 2,-0.4 0, 0.0 197,-0.1 0.684 88.0 92.6 -66.5 -17.8 6.8 8.5 -10.0 113 113 A T - 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0 0 15 -2,-0.4 4,-2.3 153,-0.1 3,-0.4 -0.367 33.7 -97.5 -80.3 170.2 3.9 10.5 -18.1 163 163 A H H > S+ 0 0 34 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.840 125.2 52.2 -63.5 -31.3 0.5 11.8 -19.2 164 164 A L H > S+ 0 0 61 151,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.855 109.1 49.2 -69.7 -35.3 -1.2 8.7 -17.8 165 165 A Q H > S+ 0 0 14 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.857 112.0 48.9 -69.5 -37.9 0.4 9.1 -14.4 166 166 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 108.8 55.4 -63.7 -40.8 -0.6 12.8 -14.3 167 167 A E H X S+ 0 0 82 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.891 100.4 57.7 -59.9 -44.7 -4.1 11.6 -15.3 168 168 A M H < S+ 0 0 96 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.933 109.4 45.7 -51.7 -49.7 -4.3 9.2 -12.3 169 169 A I H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.949 111.4 50.7 -62.5 -48.1 -3.8 12.1 -10.0 170 170 A L H 3< S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.895 114.3 43.7 -57.2 -40.0 -6.2 14.4 -11.7 171 171 A N T 3< S+ 0 0 108 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.446 84.7 137.2 -87.6 2.4 -9.0 11.8 -11.6 172 172 A K X - 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