==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 25-JUL-11 3T42 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.XU,A.E.COHEN,S.G.BOXER . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.1 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.9 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 2 3 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 0 1 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 1001 A M 0 0 104 0, 0.0 254,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 161.2 5.3 6.5 -19.8 2 1 A A - 0 0 79 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.336 360.0-142.7 -62.0 138.7 6.7 3.1 -18.9 3 2 A S S S+ 0 0 66 11,-0.1 12,-2.8 12,-0.1 13,-0.4 0.560 76.4 52.9 -83.7 -9.5 4.2 1.0 -16.9 4 3 A R E -A 14 0A 79 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.924 64.4-148.0-130.0 153.3 6.7 -0.7 -14.6 5 4 A I E -A 13 0A 41 8,-2.5 8,-3.0 -2,-0.3 2,-0.3 -0.955 27.9-113.2-120.2 138.3 9.5 0.5 -12.2 6 5 A L E -A 12 0A 113 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.540 29.1-155.2 -74.1 127.7 12.7 -1.5 -11.5 7 6 A L > - 0 0 6 4,-3.1 3,-1.9 -2,-0.3 198,-0.1 -0.535 32.8-101.5 -94.5 167.9 13.1 -2.9 -8.0 8 7 A N T 3 S+ 0 0 80 1,-0.3 171,-0.1 -2,-0.2 -2,-0.0 0.524 119.7 60.6 -71.2 -3.9 16.4 -3.7 -6.2 9 8 A N T 3 S- 0 0 60 2,-0.2 -1,-0.3 172,-0.0 3,-0.1 0.267 120.2-105.7-100.4 9.2 15.9 -7.4 -6.9 10 9 A G S < S+ 0 0 55 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.359 82.5 125.0 83.4 -5.2 15.8 -6.9 -10.7 11 10 A A - 0 0 18 144,-0.1 -4,-3.1 95,-0.1 2,-0.5 -0.482 58.8-125.7 -83.9 157.4 12.0 -7.4 -10.9 12 11 A K E -A 6 0A 135 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.909 17.9-156.0-109.7 130.4 9.7 -4.8 -12.5 13 12 A M E -A 5 0A 1 -8,-3.0 -8,-2.5 -2,-0.5 2,-0.1 -0.890 22.5-117.7-108.8 124.1 6.7 -3.5 -10.5 14 13 A P E -A 4 0A 8 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.367 17.4-142.8 -62.0 133.7 3.6 -2.1 -12.3 15 14 A I S S+ 0 0 12 -12,-2.8 245,-3.1 244,-0.1 2,-0.5 0.652 86.3 57.1 -75.2 -16.1 3.2 1.5 -11.3 16 15 A L B S+b 260 0B 4 -13,-0.4 26,-0.7 243,-0.2 25,-0.5 -0.974 70.8 168.2-118.5 116.8 -0.6 1.3 -11.2 17 16 A G E -c 42 0B 0 243,-2.8 2,-0.6 -2,-0.5 26,-0.2 -0.816 35.8-107.9-123.0 168.0 -2.1 -1.2 -8.9 18 17 A L E -c 43 0B 1 24,-2.5 26,-2.9 -2,-0.3 245,-0.2 -0.862 28.3-144.8 -97.6 121.3 -5.5 -2.1 -7.5 19 18 A G E -cd 44 263B 5 243,-2.0 245,-0.6 -2,-0.6 26,-0.1 -0.538 14.3-174.5 -78.4 151.3 -6.1 -1.4 -3.8 20 19 A T > + 0 0 0 24,-0.6 3,-1.6 -2,-0.2 2,-0.4 0.326 36.8 124.2-133.2 4.8 -8.3 -3.8 -1.8 21 20 A W T 3 S+ 0 0 63 1,-0.3 -2,-0.1 23,-0.1 28,-0.0 -0.587 88.6 11.7 -69.5 127.4 -8.8 -2.4 1.7 22 21 A K T 3 S+ 0 0 48 -2,-0.4 -1,-0.3 1,-0.3 243,-0.1 0.551 88.8 133.3 79.5 9.7 -12.6 -2.1 2.3 23 22 A S < - 0 0 3 -3,-1.6 -1,-0.3 241,-0.1 5,-0.2 -0.823 60.9-128.6 -85.5 104.6 -13.4 -4.2 -0.7 24 23 A P >> - 0 0 48 0, 0.0 3,-2.8 0, 0.0 4,-2.4 -0.243 9.2-119.7 -64.8 145.9 -15.9 -6.5 0.9 25 24 A P H 3> S+ 0 0 58 0, 0.0 4,-0.6 0, 0.0 26,-0.0 0.818 114.8 57.9 -47.7 -37.1 -15.4 -10.3 0.5 26 25 A G H 34 S+ 0 0 80 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.604 120.4 25.2 -71.9 -12.6 -18.8 -10.4 -1.2 27 26 A Q H <> S+ 0 0 111 -3,-2.8 4,-1.4 2,-0.1 -1,-0.2 0.547 101.0 80.3-124.4 -15.3 -17.7 -7.9 -3.9 28 27 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.747 83.0 64.1 -74.0 -27.2 -13.9 -8.1 -4.3 29 28 A T H X S+ 0 0 29 -4,-0.6 4,-2.2 -5,-0.2 -1,-0.2 0.951 107.5 42.4 -61.6 -47.6 -13.8 -11.2 -6.5 30 29 A E H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.888 112.1 56.1 -64.2 -36.7 -15.6 -9.4 -9.3 31 30 A A H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.929 110.7 42.8 -60.5 -46.6 -13.5 -6.3 -8.7 32 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.873 112.1 54.1 -70.8 -36.8 -10.3 -8.2 -9.1 33 32 A K H X S+ 0 0 31 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.949 113.0 43.2 -59.7 -49.1 -11.6 -10.1 -12.2 34 33 A V H X S+ 0 0 27 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.936 111.4 54.9 -61.4 -47.5 -12.5 -6.9 -13.9 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 4,-0.7 0.937 109.9 46.3 -50.9 -51.6 -9.3 -5.2 -12.9 36 35 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.931 110.1 54.4 -59.4 -44.9 -7.3 -8.1 -14.5 37 36 A D H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.4 45.4 -55.6 -43.0 -9.4 -7.9 -17.6 38 37 A V H 3<5S- 0 0 58 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.446 130.7 -85.3 -88.7 0.1 -8.8 -4.2 -18.2 39 38 A G T <<5S+ 0 0 23 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.2 0.346 75.1 141.1 123.3 -6.9 -5.1 -4.4 -17.5 40 39 A Y < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -23,-0.1 -0.470 11.4 165.6 -65.3 137.6 -4.2 -4.2 -13.9 41 40 A R + 0 0 59 -25,-0.5 33,-3.0 -2,-0.2 2,-0.5 0.568 57.3 74.0-121.9 -21.5 -1.4 -6.6 -13.0 42 41 A H E -ce 17 74B 0 -26,-0.7 -24,-2.5 31,-0.2 2,-0.4 -0.797 58.8-177.0 -99.0 124.4 -0.5 -5.2 -9.6 43 42 A I E -ce 18 75B 0 31,-2.0 33,-2.4 -2,-0.5 2,-0.6 -0.995 15.7-147.5-122.2 126.3 -2.9 -6.0 -6.7 44 43 A D E +ce 19 76B 4 -26,-2.9 -24,-0.6 -2,-0.4 2,-0.2 -0.861 30.4 164.9 -96.0 120.3 -2.3 -4.6 -3.2 45 44 A C - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.694 19.1-169.7-125.1 172.7 -3.5 -6.9 -0.5 46 45 A A > - 0 0 0 -2,-0.2 3,-1.2 31,-0.2 5,-0.5 -0.905 31.4-128.5-165.1 143.1 -3.2 -7.5 3.3 47 46 A H G > S+ 0 0 19 31,-1.1 3,-1.8 -2,-0.3 5,-0.2 0.890 111.0 59.0 -54.8 -40.4 -4.1 -10.1 5.8 48 47 A V G 3 S+ 0 0 25 30,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.755 91.0 69.5 -66.6 -19.5 -5.8 -7.5 7.9 49 48 A Y G < S- 0 0 38 -3,-1.2 -1,-0.3 1,-0.1 -27,-0.2 0.708 93.4-147.7 -71.3 -17.4 -8.2 -6.6 5.0 50 49 A Q S < S+ 0 0 101 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.765 74.2 90.2 58.3 33.2 -9.7 -10.0 5.6 51 50 A N > + 0 0 1 -5,-0.5 4,-2.1 -27,-0.1 5,-0.2 0.142 42.2 112.1-137.8 15.3 -10.6 -10.6 1.9 52 51 A E H > S+ 0 0 3 1,-0.2 4,-2.4 -6,-0.2 5,-0.1 0.844 76.1 58.7 -64.1 -31.4 -7.4 -12.3 0.6 53 52 A N H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.986 109.4 43.4 -53.2 -62.1 -9.4 -15.6 0.1 54 53 A E H > S+ 0 0 48 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.813 111.9 52.1 -63.4 -33.0 -11.8 -13.8 -2.3 55 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.923 109.4 52.5 -62.5 -42.0 -8.9 -11.9 -4.1 56 55 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.845 102.8 57.5 -63.2 -36.3 -7.3 -15.3 -4.5 57 56 A V H X S+ 0 0 57 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.920 108.2 47.5 -57.7 -46.3 -10.5 -16.7 -6.0 58 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.914 112.0 48.3 -65.2 -43.8 -10.4 -14.0 -8.7 59 58 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.931 111.8 50.1 -62.1 -45.8 -6.7 -14.6 -9.5 60 59 A Q H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 109.8 50.9 -60.7 -42.2 -7.2 -18.4 -9.7 61 60 A E H X S+ 0 0 66 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 111.5 46.5 -63.5 -41.5 -10.2 -17.9 -12.1 62 61 A K H <>S+ 0 0 12 -4,-2.1 5,-2.3 2,-0.2 6,-1.1 0.816 111.1 52.3 -73.2 -30.0 -8.2 -15.6 -14.4 63 62 A L H ><5S+ 0 0 56 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.941 112.3 45.9 -65.7 -45.9 -5.2 -18.0 -14.4 64 63 A R H 3<5S+ 0 0 183 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.843 108.5 55.4 -68.6 -32.2 -7.5 -20.9 -15.4 65 64 A E T 3<5S- 0 0 95 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.563 112.0-122.1 -72.9 -8.4 -9.2 -18.8 -18.1 66 65 A Q T < 5S+ 0 0 177 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.778 75.8 128.4 68.5 29.3 -5.8 -18.2 -19.6 67 66 A V S > - 0 0 118 -2,-0.3 3,-1.8 -3,-0.1 4,-0.6 -0.845 32.9-109.7-111.0 159.0 -0.1 -16.1 -16.3 70 69 A R G >4 S+ 0 0 36 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.852 114.4 60.9 -54.1 -40.1 1.4 -15.9 -12.8 71 70 A E G 34 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.714 100.7 55.4 -64.2 -21.7 4.6 -14.3 -13.9 72 71 A E G <4 S+ 0 0 70 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.626 94.2 83.9 -85.2 -17.1 2.7 -11.3 -15.3 73 72 A L << - 0 0 0 -3,-1.5 2,-0.5 -4,-0.6 -31,-0.2 -0.591 62.6-156.0 -88.1 150.2 1.0 -10.6 -12.0 74 73 A F E -e 42 0B 4 -33,-3.0 -31,-2.0 -2,-0.2 2,-0.5 -0.902 17.2-172.2-126.3 96.2 2.6 -8.5 -9.2 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.7 -33,-0.2 32,-1.5 -0.843 1.4-172.0-100.5 123.6 0.9 -9.5 -5.9 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.4 -2,-0.5 2,-0.3 -0.916 8.7 167.4-112.8 134.7 1.7 -7.6 -2.8 77 76 A S E - f 0 108B 0 30,-1.9 32,-2.3 -2,-0.4 2,-0.4 -0.835 20.6-132.9-134.4-175.8 0.7 -8.4 0.8 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.1 30,-0.2 2,-0.5 -0.998 15.0-120.8-145.4 138.6 1.6 -7.2 4.3 79 78 A L E - f 0 110B 0 30,-2.9 32,-2.0 -2,-0.4 33,-0.4 -0.679 39.0-129.3 -76.4 119.2 2.5 -8.6 7.6 80 79 A W > - 0 0 8 -2,-0.5 3,-2.0 31,-0.1 36,-0.1 -0.274 19.6-107.6 -74.7 159.4 0.0 -7.4 10.2 81 80 A C G > S+ 0 0 0 1,-0.3 35,-2.6 2,-0.1 3,-0.9 0.727 114.0 62.0 -59.5 -28.3 1.1 -5.8 13.5 82 81 A T G 3 S+ 0 0 2 1,-0.2 -1,-0.3 33,-0.2 37,-0.3 0.431 100.6 56.2 -80.4 3.0 0.1 -8.7 15.7 83 82 A Y G < + 0 0 56 -3,-2.0 -1,-0.2 1,-0.1 9,-0.1 -0.008 65.3 114.1-121.7 28.2 2.6 -11.0 13.9 84 83 A H < + 0 0 4 -3,-0.9 53,-0.2 32,-0.3 60,-0.1 0.716 45.3 108.2 -75.1 -20.4 5.9 -9.1 14.4 85 84 A E S >> S- 0 0 48 -3,-0.1 3,-2.4 1,-0.1 4,-1.2 -0.343 79.6-124.6 -56.4 136.2 7.5 -11.8 16.6 86 85 A K H 3> S+ 0 0 159 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.869 111.5 55.0 -53.6 -37.8 10.2 -13.6 14.7 87 86 A G H 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.567 109.5 46.4 -71.6 -9.5 8.4 -16.9 15.4 88 87 A L H <> S+ 0 0 66 -3,-2.4 4,-2.0 -5,-0.1 -1,-0.2 0.607 89.1 83.7-105.0 -17.1 5.1 -15.7 13.9 89 88 A V H X S+ 0 0 2 -4,-1.2 4,-2.4 -3,-0.5 5,-0.2 0.911 90.5 46.1 -59.8 -48.2 6.3 -14.1 10.7 90 89 A K H X S+ 0 0 81 -4,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.916 112.3 51.0 -65.9 -40.7 6.5 -17.2 8.4 91 90 A G H > S+ 0 0 43 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 110.0 50.3 -62.1 -40.4 3.1 -18.5 9.5 92 91 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.925 112.5 46.8 -63.4 -43.8 1.6 -15.1 8.8 93 92 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.935 112.4 49.9 -63.7 -45.2 3.1 -15.1 5.3 94 93 A Q H X S+ 0 0 95 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.849 107.2 54.0 -65.2 -33.5 2.0 -18.7 4.7 95 94 A K H X S+ 0 0 102 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.938 109.9 48.4 -63.8 -44.5 -1.6 -17.9 5.7 96 95 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.938 112.5 48.4 -58.4 -46.8 -1.6 -15.1 3.2 97 96 A L H X>S+ 0 0 13 -4,-2.6 5,-2.2 2,-0.2 4,-0.8 0.908 111.9 49.0 -60.0 -44.1 -0.2 -17.4 0.5 98 97 A S H ><5S+ 0 0 84 -4,-2.7 3,-0.6 3,-0.2 -2,-0.2 0.930 113.4 46.5 -62.6 -45.0 -2.7 -20.1 1.3 99 98 A D H 3<5S+ 0 0 22 -4,-2.8 -43,-0.2 1,-0.2 -2,-0.2 0.897 114.9 45.9 -64.3 -41.5 -5.6 -17.6 1.2 100 99 A L H 3<5S- 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.594 107.0-130.1 -76.0 -9.3 -4.4 -16.1 -2.0 101 100 A K T <<5 + 0 0 71 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.826 65.2 129.9 59.9 36.4 -3.8 -19.6 -3.4 102 101 A L < - 0 0 21 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.782 59.3-147.7-115.7 160.3 -0.3 -18.6 -4.4 103 102 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.515 84.1 15.4-106.6 -5.9 3.1 -20.1 -3.9 104 103 A Y - 0 0 45 -7,-0.1 2,-0.4 3,-0.0 -1,-0.2 -0.981 64.9-134.7-154.5 158.7 5.0 -16.8 -3.7 105 104 A L B -k 154 0C 0 48,-1.9 50,-2.6 -2,-0.3 51,-0.3 -0.886 12.4-143.5-105.9 146.3 4.4 -13.1 -3.3 106 105 A D S S+ 0 0 5 -31,-1.7 2,-0.3 -2,-0.4 -30,-0.2 0.842 89.7 8.1 -73.9 -29.0 6.1 -10.5 -5.5 107 106 A L E -f 76 0B 1 -32,-1.5 -30,-1.9 48,-0.2 2,-0.4 -0.978 62.5-168.3-154.8 133.8 6.4 -8.2 -2.5 108 107 A Y E -fg 77 157B 1 48,-1.7 50,-2.2 -2,-0.3 2,-0.3 -0.996 16.0-164.1-127.2 129.6 5.7 -8.5 1.2 109 108 A L E -fg 78 158B 0 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.7 -0.852 30.1-118.6-115.4 147.6 5.7 -5.5 3.4 110 109 A I E -fg 79 159B 2 48,-2.1 50,-1.2 -2,-0.3 -30,-0.1 -0.759 34.6-147.9 -74.9 117.6 5.8 -4.8 7.1 111 110 A H S S- 0 0 11 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.888 72.6 -1.9 -65.2 -43.3 2.4 -3.2 7.3 112 111 A W - 0 0 42 -33,-0.4 -1,-0.2 2,-0.2 49,-0.2 -0.967 69.3-121.3-141.1 153.0 3.3 -0.8 10.2 113 112 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 197,-0.1 0.592 88.8 92.4 -71.4 -7.9 6.6 -0.4 12.1 114 113 A T - 0 0 4 195,-0.1 2,-0.4 23,-0.0 -2,-0.2 -0.681 66.4-147.2 -92.2 133.8 4.6 -1.1 15.3 115 114 A G - 0 0 0 -2,-0.3 19,-1.9 19,-0.3 2,-0.3 -0.858 14.8-158.1 -94.9 138.9 4.1 -4.5 16.8 116 115 A F B -L 133 0D 4 -35,-2.6 -32,-0.3 -2,-0.4 18,-0.1 -0.838 37.9 -76.1-112.5 154.2 0.9 -5.2 18.6 117 116 A K - 0 0 100 15,-2.9 17,-0.2 -2,-0.3 15,-0.1 -0.188 56.4-112.4 -48.3 126.4 0.2 -7.9 21.3 118 117 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 -0.318 68.2 95.2 -63.6 143.9 -0.1 -11.3 19.6 119 118 A G S S- 0 0 41 -37,-0.3 -37,-0.1 1,-0.1 -3,-0.0 -0.886 86.6 -65.4 156.2-179.0 -3.6 -12.8 19.7 120 119 A K S S+ 0 0 208 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.844 104.1 84.7 -66.6 -34.8 -6.8 -13.2 17.7 121 120 A E - 0 0 136 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 -0.511 65.4-154.4 -74.3 131.2 -7.7 -9.5 17.8 122 121 A F S S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.3 -40,-0.1 0.783 91.6 31.4 -73.9 -27.7 -6.1 -7.4 15.1 123 122 A F S S- 0 0 85 -42,-0.1 -1,-0.3 -41,-0.0 2,-0.2 -0.603 77.0-170.0-133.0 71.5 -6.3 -4.2 17.2 124 123 A P - 0 0 8 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.455 11.4-173.9 -68.4 126.1 -6.0 -5.0 21.0 125 124 A L B -M 131 0E 94 6,-0.3 6,-0.2 -2,-0.2 2,-0.2 -0.875 19.4-124.7-119.2 153.7 -6.9 -2.0 23.1 126 125 A D > - 0 0 65 4,-2.5 3,-3.3 -2,-0.3 4,-0.3 -0.630 44.6 -86.7 -97.8 162.8 -6.6 -1.4 26.8 127 126 A E T 3 S+ 0 0 212 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.650 129.0 49.1 -45.8 -20.8 -9.5 -0.3 29.0 128 127 A S T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.031 121.1 -98.7-109.4 24.7 -8.6 3.3 28.1 129 128 A G S < S+ 0 0 35 -3,-3.3 2,-0.3 1,-0.2 -2,-0.1 0.498 78.1 127.3 83.6 5.6 -8.3 3.1 24.4 130 129 A N - 0 0 60 -4,-0.3 -4,-2.5 174,-0.1 -1,-0.2 -0.735 65.0-105.6 -91.5 143.2 -4.6 2.8 23.8 131 130 A V B -M 125 0E 9 172,-3.0 -6,-0.3 -2,-0.3 -1,-0.1 -0.378 27.8-123.6 -63.1 144.5 -3.2 -0.1 21.6 132 131 A V - 0 0 42 -8,-2.6 -15,-2.9 -15,-0.1 -1,-0.1 -0.848 34.8-152.1 -91.2 109.9 -1.5 -2.9 23.5 133 132 A P B -L 116 0D 68 0, 0.0 -17,-0.3 0, 0.0 2,-0.3 -0.193 5.1-127.4 -74.1 167.2 2.0 -3.2 22.0 134 133 A S - 0 0 12 -19,-1.9 -19,-0.3 -17,-0.2 -17,-0.1 -0.837 26.2-111.1-108.5 164.4 4.2 -6.2 21.7 135 134 A D S S+ 0 0 150 -2,-0.3 2,-0.1 -19,-0.1 -19,-0.0 0.197 77.3 121.4 -77.0 19.7 7.9 -6.3 22.8 136 135 A T - 0 0 16 4,-0.0 2,-0.3 3,-0.0 -21,-0.3 -0.370 47.4-149.8 -91.4 160.1 9.1 -6.5 19.2 137 136 A N > - 0 0 58 -53,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.901 25.7-112.1-129.9 160.3 11.5 -4.2 17.4 138 137 A I H > S+ 0 0 13 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.885 111.9 50.9 -54.6 -46.0 12.0 -3.1 13.8 139 138 A L H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 110.3 47.0 -68.1 -43.3 15.3 -4.8 13.2 140 139 A D H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 113.0 49.8 -63.5 -40.2 14.3 -8.3 14.5 141 140 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.925 110.0 51.5 -65.2 -41.3 11.1 -8.2 12.4 142 141 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 105.8 54.7 -58.8 -45.3 13.1 -7.2 9.4 143 142 A A H X S+ 0 0 31 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.896 108.4 49.1 -56.3 -39.7 15.5 -10.1 9.9 144 143 A A H X S+ 0 0 12 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.868 108.9 52.7 -67.4 -36.1 12.4 -12.4 9.9 145 144 A M H >X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 3,-0.7 0.912 104.7 56.2 -63.3 -42.2 11.2 -10.8 6.7 146 145 A E H >X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.3 3,-0.6 0.878 99.4 60.0 -59.5 -38.5 14.6 -11.5 5.1 147 146 A E H 3X S+ 0 0 96 -4,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.856 97.6 60.5 -57.5 -35.7 14.3 -15.2 5.9 148 147 A L H <<>S+ 0 0 1 -4,-1.0 5,-1.8 -3,-0.7 6,-1.1 0.861 106.1 45.5 -61.2 -37.4 11.1 -15.2 3.7 149 148 A V H X<5S+ 0 0 22 -4,-1.0 3,-1.6 -3,-0.6 -1,-0.2 0.910 111.2 52.3 -69.7 -45.1 13.1 -14.1 0.6 150 149 A D H 3<5S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.790 110.2 50.0 -65.0 -22.4 15.9 -16.6 1.4 151 150 A E T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.440 113.7-118.8 -92.9 -1.8 13.2 -19.3 1.6 152 151 A G T < 5S+ 0 0 52 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.534 81.6 118.4 77.3 8.7 11.6 -18.3 -1.8 153 152 A L S - 0 0 12 -2,-0.4 4,-2.3 153,-0.1 3,-0.4 -0.368 34.4 -96.3 -80.2 169.1 9.5 7.4 8.8 164 163 A H H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.843 124.6 52.8 -62.4 -30.3 12.9 8.2 7.6 165 164 A L H > S+ 0 0 62 151,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.883 109.2 49.1 -70.2 -34.6 14.6 7.3 10.8 166 165 A Q H > S+ 0 0 14 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.876 111.5 49.6 -71.3 -37.4 12.9 3.9 10.9 167 166 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.944 109.3 52.8 -59.7 -48.0 14.0 3.3 7.3 168 167 A E H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.859 101.5 60.6 -57.9 -38.1 17.5 4.4 8.4 169 168 A M H < S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.922 109.4 41.6 -55.8 -45.6 17.4 1.8 11.2 170 169 A I H >< S+ 0 0 0 -4,-1.4 3,-1.6 -3,-0.4 -2,-0.2 0.939 113.6 52.4 -67.7 -43.7 17.0 -1.0 8.7 171 170 A L H 3< S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.833 112.2 46.3 -63.6 -31.6 19.6 0.5 6.3 172 171 A N T 3< S+ 0 0 108 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.366 81.2 129.7 -92.8 6.0 22.1 0.7 9.1 173 172 A K X - 0 0 45 -3,-1.6 3,-1.8 -4,-0.2 2,-0.1 -0.419 63.8-121.6 -63.8 122.1 21.5 -2.8 10.4 174 173 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.465 99.7 18.0 -61.5 133.0 24.8 -4.7 10.8 175 174 A G T 3 S+ 0 0 63 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 0.669 84.9 177.3 77.9 17.6 24.6 -7.8 8.6 176 175 A L < - 0 0 47 -3,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.291 11.9-173.1 -50.7 131.7 21.7 -6.5 6.6 177 176 A K + 0 0 94 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.777 67.2 19.0-100.4 -37.3 20.8 -9.1 3.9 178 177 A Y - 0 0 71 -22,-0.0 -1,-0.3 0, 0.0 -32,-0.1 -0.996 69.6-136.5-135.4 131.6 18.2 -7.2 1.8 179 178 A K - 0 0 87 -2,-0.4 -22,-0.3 -3,-0.1 2,-0.1 -0.601 44.4 -92.5 -75.7 146.7 17.5 -3.5 1.6 180 179 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.422 33.1-158.0 -55.2 131.6 13.8 -2.6 1.6 181 180 A A S S+ 0 0 1 -24,-2.6 25,-2.4 1,-0.2 2,-0.3 0.772 71.8 17.5 -81.2 -30.1 12.6 -2.5 -2.1 182 181 A V E - i 0 206B 0 -25,-0.3 -23,-2.6 23,-0.2 2,-0.4 -0.981 53.0-157.4-147.0 142.8 9.6 -0.3 -1.3 183 182 A N E -hi 159 207B 0 23,-2.2 25,-1.7 -2,-0.3 2,-0.6 -0.988 20.3-155.8-119.2 117.6 8.1 2.0 1.3 184 183 A Q E +hi 160 208B 5 -25,-2.3 -23,-2.0 -2,-0.4 2,-0.3 -0.858 26.4 162.7 -96.6 118.5 4.4 2.3 1.0 185 184 A I E - i 0 209B 3 23,-2.7 25,-2.6 -2,-0.6 2,-0.2 -0.927 45.7 -90.0-136.7 158.0 3.1 5.5 2.5 186 185 A E E + i 0 210B 1 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.490 54.4 166.4 -66.3 134.1 0.0 7.7 2.4 187 186 A C + 0 0 2 23,-2.2 5,-0.2 -2,-0.2 27,-0.2 -0.908 9.7 119.1-159.8 129.0 0.4 10.3 -0.4 188 187 A H B > S-N 191 0F 3 3,-1.5 3,-1.7 -2,-0.3 25,-0.1 -0.922 75.2 -67.1-170.4 177.6 -1.9 12.7 -2.2 189 188 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 103,-0.0 0.739 131.1 49.2 -58.2 -22.9 -2.3 16.5 -2.8 190 189 A Y T 3 S+ 0 0 7 1,-0.3 106,-2.3 103,-0.2 104,-2.1 0.559 124.6 28.9 -89.9 -9.9 -3.1 17.1 0.9 191 190 A L B < S+N 188 0F 6 -3,-1.7 -3,-1.5 104,-0.2 -1,-0.3 -0.684 71.4 171.2-146.0 82.5 -0.1 15.1 2.1 192 191 A T - 0 0 1 -3,-0.3 5,-0.1 -5,-0.2 -2,-0.1 0.623 26.5-149.6 -82.9 -15.1 2.5 15.4 -0.6 193 192 A Q > + 0 0 20 1,-0.1 4,-2.7 3,-0.1 5,-0.3 0.777 32.2 162.0 59.6 34.9 5.4 13.8 1.4 194 193 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 71.4 43.8 -56.7 -45.9 8.1 15.7 -0.3 195 194 A K H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 116.2 44.0 -69.8 -43.5 10.8 15.0 2.3 196 195 A L H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.910 115.7 49.6 -67.5 -38.5 10.1 11.3 2.8 197 196 A I H X S+ 0 0 8 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.939 112.0 47.8 -64.2 -46.6 9.9 10.8 -1.0 198 197 A Q H X S+ 0 0 118 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.926 114.3 48.3 -59.1 -43.6 13.1 12.6 -1.5 199 198 A Y H X S+ 0 0 21 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.964 114.2 43.9 -60.0 -53.0 14.7 10.6 1.2 200 199 A C H ><>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.2 3,-0.8 0.928 114.1 48.9 -62.0 -45.1 13.5 7.2 -0.0 201 200 A Q H ><5S+ 0 0 79 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.855 108.0 55.2 -67.5 -31.6 14.3 7.8 -3.7 202 201 A S H 3<5S+ 0 0 72 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.741 108.4 50.3 -69.2 -23.2 17.8 9.0 -2.7 203 202 A K T <<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.262 121.3-106.2 -97.7 7.7 18.3 5.7 -0.9 204 203 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.775 75.3 138.5 73.5 25.5 17.1 3.6 -3.9 205 204 A I < - 0 0 2 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.909 50.4-132.4-106.5 125.9 13.8 2.7 -2.3 206 205 A V E -i 182 0B 18 -25,-2.4 -23,-2.2 -2,-0.5 2,-0.5 -0.560 19.7-140.9 -75.9 136.6 10.6 2.8 -4.5 207 206 A V E -i 183 0B 0 50,-0.4 52,-2.6 -2,-0.3 2,-0.5 -0.865 10.3-162.1-103.6 129.0 7.7 4.7 -3.0 208 207 A T E -ij 184 259B 0 -25,-1.7 -23,-2.7 -2,-0.5 2,-0.6 -0.959 14.8-141.7-105.0 128.5 4.1 3.5 -3.3 209 208 A A E -ij 185 260B 0 50,-3.4 52,-1.5 -2,-0.5 -23,-0.2 -0.804 19.3-166.9 -89.4 116.6 1.4 6.1 -2.7 210 209 A Y E +i 186 0B 16 -25,-2.6 -23,-2.2 -2,-0.6 4,-0.1 -0.628 66.5 23.8 -99.4 166.4 -1.6 4.8 -0.8 211 210 A S > + 0 0 18 50,-0.3 3,-1.8 -2,-0.2 -1,-0.2 0.891 69.3 165.1 45.2 50.2 -5.0 6.5 -0.4 212 211 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 74.2 49.4 -69.8 -18.4 -4.3 8.6 -3.5 213 212 A L T 3 S- 0 0 22 -25,-0.1 16,-0.7 15,-0.0 15,-0.2 0.316 125.5-101.3 -96.4 3.9 -8.0 9.5 -3.7 214 213 A G < - 0 0 5 -3,-1.8 4,-0.2 1,-0.2 14,-0.1 0.586 47.4 -98.2 86.3 10.5 -8.0 10.5 0.0 215 214 A S > + 0 0 9 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 0.891 51.0 179.6 46.3 57.1 -9.7 7.3 1.3 216 215 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.750 77.5 56.9 -61.9 -21.2 -13.2 8.8 1.4 217 216 A D T 3 S+ 0 0 68 3,-0.0 -2,-0.1 2,-0.0 4,-0.0 0.391 74.6 132.0 -89.2 2.9 -14.5 5.5 2.7 218 217 A R X - 0 0 17 -3,-2.1 3,-1.5 -4,-0.2 81,-0.0 -0.271 62.5-128.0 -60.5 141.1 -12.2 5.3 5.7 219 218 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.625 102.7 51.8 -72.7 -12.8 -14.2 4.3 8.8 220 219 A W T 3 S+ 0 0 73 78,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.152 78.2 136.7-106.8 17.2 -12.9 7.2 11.0 221 220 A A < - 0 0 37 -3,-1.5 77,-0.0 -5,-0.1 -6,-0.0 -0.360 43.3-147.1 -64.0 141.6 -13.8 10.0 8.5 222 221 A K > - 0 0 109 1,-0.1 3,-2.0 4,-0.1 -2,-0.1 -0.882 19.9-123.0-107.1 146.5 -15.4 13.1 10.0 223 222 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.729 111.8 54.4 -60.6 -23.7 -17.9 15.1 7.8 224 223 A E T 3 S+ 0 0 141 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.448 83.2 115.1 -90.3 -2.3 -15.8 18.2 8.2 225 224 A D S < S- 0 0 46 -3,-2.0 2,-0.2 1,-0.1 -4,-0.0 -0.364 79.7 -97.2 -65.6 146.5 -12.6 16.6 6.9 226 225 A P - 0 0 38 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.457 37.0-147.5 -64.7 134.4 -11.2 17.8 3.6 227 226 A S - 0 0 51 1,-0.2 3,-0.4 -2,-0.2 4,-0.3 -0.921 11.5-166.7-112.3 114.6 -12.4 15.7 0.6 228 227 A L S > S+ 0 0 3 -2,-0.6 3,-1.9 1,-0.2 6,-0.2 0.940 87.6 52.7 -63.4 -51.5 -10.0 15.3 -2.3 229 228 A L T 3 S+ 0 0 46 -16,-0.7 -1,-0.2 1,-0.3 16,-0.2 0.731 114.8 44.7 -61.0 -19.4 -12.3 13.8 -4.9 230 229 A E T 3 S+ 0 0 122 -3,-0.4 -1,-0.3 15,-0.1 -2,-0.2 0.355 79.4 127.3-106.8 2.5 -14.7 16.7 -4.2 231 230 A D X> - 0 0 8 -3,-1.9 4,-2.1 -4,-0.3 3,-0.9 -0.471 52.3-149.8 -65.0 118.6 -12.1 19.5 -4.3 232 231 A P H 3> S+ 0 0 98 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.817 95.1 58.0 -61.4 -30.6 -13.3 22.1 -6.8 233 232 A R H 3> S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.797 109.9 43.1 -71.0 -28.7 -9.8 23.1 -7.6 234 233 A I H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.820 108.6 57.5 -85.6 -32.2 -8.9 19.5 -8.7 235 234 A K H X S+ 0 0 94 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.871 105.2 53.7 -61.7 -35.8 -12.2 19.1 -10.6 236 235 A A H X S+ 0 0 62 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.895 107.6 48.6 -66.3 -42.6 -11.1 22.2 -12.6 237 236 A I H X S+ 0 0 14 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.935 113.1 48.9 -62.0 -45.8 -7.8 20.6 -13.5 238 237 A A H ><>S+ 0 0 2 -4,-2.6 5,-2.4 1,-0.2 3,-1.3 0.939 109.0 51.0 -56.5 -51.2 -9.7 17.4 -14.5 239 238 A A H ><5S+ 0 0 67 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.864 103.7 60.3 -58.3 -36.7 -12.2 19.2 -16.7 240 239 A K H 3<5S+ 0 0 122 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.804 113.6 36.7 -58.4 -30.9 -9.3 21.0 -18.4 241 240 A H T <<5S- 0 0 47 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.314 111.1-117.1-103.6 5.8 -8.1 17.5 -19.5 242 241 A N T < 5S+ 0 0 150 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.915 79.8 117.7 51.3 44.9 -11.5 16.0 -20.1 243 242 A K < - 0 0 34 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.832 68.3-100.0-129.8 167.7 -10.7 13.5 -17.3 244 243 A T > - 0 0 47 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.499 31.2-112.4 -85.5 162.3 -12.1 12.8 -14.0 245 244 A T H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 119.7 54.0 -57.7 -41.8 -10.8 14.0 -10.6 246 245 A A H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 106.1 52.3 -60.0 -43.9 -9.8 10.4 -9.8 247 246 A Q H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 110.7 47.6 -60.7 -41.0 -7.9 10.1 -13.0 248 247 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 111.0 51.4 -61.9 -46.4 -6.0 13.3 -12.1 249 248 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.767 113.4 44.9 -63.8 -27.1 -5.3 12.1 -8.6 250 249 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.873 113.1 49.1 -82.3 -41.3 -3.9 8.8 -10.0 251 250 A R H X S+ 0 0 12 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.842 99.5 70.7 -64.5 -32.7 -1.8 10.4 -12.7 252 251 A F H < S+ 0 0 2 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.943 102.4 38.6 -53.3 -59.4 -0.3 12.9 -10.2 253 252 A P H >4>S+ 0 0 4 0, 0.0 5,-2.0 0, 0.0 3,-1.6 0.854 109.8 63.0 -63.6 -32.2 1.8 10.4 -8.3 254 253 A M H ><5S+ 0 0 2 -4,-1.1 3,-1.6 1,-0.3 -2,-0.2 0.907 101.1 51.8 -57.5 -40.5 2.8 8.6 -11.5 255 254 A Q T 3<5S+ 0 0 40 -4,-2.0 -1,-0.3 -3,-0.5 -3,-0.1 0.512 103.3 59.0 -77.6 -3.0 4.5 11.7 -12.7 256 255 A R T < 5S- 0 0 32 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.181 122.1-106.8-101.6 11.3 6.4 11.9 -9.4 257 256 A N T < 5S+ 0 0 113 -3,-1.6 -50,-0.4 1,-0.2 2,-0.3 0.844 77.8 135.2 65.1 34.0 7.9 8.4 -10.2 258 257 A L < - 0 0 1 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.745 58.4-121.9-105.5 158.1 5.7 6.8 -7.6 259 258 A V E - j 0 208B 0 -52,-2.6 -50,-3.4 -2,-0.3 2,-0.4 -0.755 32.6-159.3 -88.4 147.2 3.7 3.6 -7.7 260 259 A V E -bj 16 209B 0 -245,-3.1 -243,-2.8 -2,-0.3 -50,-0.2 -0.987 15.9-167.5-137.3 142.8 0.0 4.3 -6.9 261 260 A I - 0 0 8 -52,-1.5 -50,-0.3 -2,-0.4 -243,-0.1 -0.493 10.4-175.3-132.3 62.9 -2.7 1.9 -5.8 262 261 A P - 0 0 1 0, 0.0 -243,-2.0 0, 0.0 2,-0.4 -0.361 19.2-136.8 -59.6 141.7 -6.2 3.4 -6.0 263 262 A K B +d 19 0B 48 -245,-0.2 2,-0.3 -242,-0.0 -243,-0.1 -0.826 33.6 149.8-102.7 134.1 -9.0 1.2 -4.6 264 263 A S - 0 0 8 -245,-0.6 -241,-0.1 -2,-0.4 -242,-0.0 -0.958 29.3-172.6-151.9 146.0 -12.4 0.5 -6.2 265 264 A V + 0 0 23 -2,-0.3 3,-0.1 -243,-0.1 -1,-0.1 0.346 67.0 101.0-105.1 0.2 -14.9 -2.3 -6.1 266 265 A T >> - 0 0 56 1,-0.2 4,-2.7 -235,-0.0 3,-0.5 -0.760 68.0-147.3 -90.7 112.3 -17.0 -0.6 -8.8 267 266 A P H 3> S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.863 96.7 50.8 -50.2 -43.4 -16.4 -2.1 -12.2 268 267 A E H 3> S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.915 114.8 44.2 -60.9 -41.7 -16.9 1.1 -14.1 269 268 A R H <> S+ 0 0 138 -3,-0.5 4,-3.3 2,-0.2 -1,-0.2 0.869 108.1 57.2 -70.2 -37.8 -14.5 3.0 -11.8 270 269 A I H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.950 112.7 42.3 -57.8 -46.9 -11.9 0.2 -11.9 271 270 A A H >X S+ 0 0 24 -4,-2.2 3,-0.8 -5,-0.2 4,-0.6 0.933 115.4 49.0 -63.8 -48.1 -11.9 0.5 -15.7 272 271 A E H >< S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.905 105.6 58.2 -57.8 -45.5 -11.9 4.4 -15.6 273 272 A N H 3< S+ 0 0 5 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.703 102.2 54.8 -60.9 -22.3 -9.1 4.5 -13.0 274 273 A F H << S+ 0 0 45 -3,-0.8 2,-2.1 -4,-0.7 3,-0.3 0.669 84.6 87.0 -85.5 -16.0 -6.7 2.6 -15.3 275 274 A K << + 0 0 127 -3,-1.5 -1,-0.2 -4,-0.6 3,-0.1 -0.434 55.1 105.8 -86.7 64.9 -7.2 5.0 -18.2 276 275 A V + 0 0 0 -2,-2.1 3,-0.3 1,-0.1 -1,-0.2 0.171 53.8 80.1-128.0 14.1 -4.4 7.3 -17.1 277 276 A F S S+ 0 0 72 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.250 82.6 67.2-102.0 10.4 -1.7 6.5 -19.7 278 277 A D S S+ 0 0 109 -3,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.213 99.5 42.7-117.5 11.5 -3.3 8.7 -22.4 279 278 A F - 0 0 25 -3,-0.3 2,-0.4 2,-0.0 -38,-0.0 -0.968 64.2-141.2-147.4 166.7 -2.8 12.1 -20.9 280 279 A E - 0 0 135 -2,-0.3 2,-0.4 -3,-0.0 -3,-0.0 -0.996 16.6-129.4-131.4 136.1 -0.2 14.2 -19.1 281 280 A L - 0 0 1 -2,-0.4 -2,-0.0 -30,-0.1 -44,-0.0 -0.689 36.0-122.3 -77.3 135.0 -0.5 16.7 -16.3 282 281 A S > - 0 0 45 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.172 23.8-102.3 -70.5 165.6 1.3 20.0 -17.2 283 282 A S H > S+ 0 0 100 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.961 126.5 50.8 -44.7 -56.9 4.1 21.6 -15.1 284 283 A Q H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.925 108.8 50.4 -54.5 -45.5 1.5 24.0 -13.8 285 284 A D H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.934 111.7 47.8 -57.0 -48.0 -0.9 21.2 -12.8 286 285 A M H X S+ 0 0 24 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 114.8 45.9 -61.6 -45.3 1.9 19.4 -11.0 287 286 A T H X S+ 0 0 81 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.903 113.2 49.8 -62.4 -45.0 2.9 22.5 -9.2 288 287 A T H < S+ 0 0 30 -4,-2.9 4,-0.4 -5,-0.3 -2,-0.2 0.934 111.9 47.6 -63.1 -46.7 -0.6 23.4 -8.4 289 288 A L H >< S+ 0 0 0 -4,-3.1 3,-1.3 1,-0.2 -2,-0.2 0.912 111.0 51.1 -62.8 -42.0 -1.4 20.0 -7.0 290 289 A L H >< S+ 0 0 41 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.840 102.2 62.1 -62.1 -31.6 1.8 20.0 -4.9 291 290 A S T 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.566 87.3 73.1 -74.3 -8.5 0.8 23.4 -3.4 292 291 A Y T < + 0 0 30 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.480 69.9 130.8 -83.7 -0.7 -2.3 21.9 -1.9 293 292 A N < + 0 0 47 -3,-1.5 -103,-0.2 1,-0.1 -102,-0.2 -0.203 21.5 161.4 -54.2 136.5 -0.2 20.1 0.7 294 293 A R - 0 0 127 -104,-2.1 -103,-0.2 2,-0.1 -1,-0.1 0.210 56.9-113.0-139.6 14.5 -1.4 20.6 4.3 295 294 A N + 0 0 124 -105,-0.3 2,-0.7 1,-0.2 -104,-0.2 0.876 62.5 160.0 52.8 40.1 0.4 17.7 6.0 296 295 A W - 0 0 46 -106,-2.3 2,-0.5 2,-0.0 -1,-0.2 -0.861 27.4-155.0-101.6 112.5 -3.0 16.2 6.5 297 296 A R - 0 0 64 -2,-0.7 3,-0.2 1,-0.1 -106,-0.0 -0.775 18.2-177.2 -91.6 122.5 -3.1 12.4 7.2 298 297 A V S S+ 0 0 2 -2,-0.5 2,-0.7 1,-0.2 -78,-0.2 0.676 80.9 57.0 -81.6 -23.5 -6.2 10.4 6.5 299 298 A C S S+ 0 0 14 2,-0.0 2,-0.3 -88,-0.0 -1,-0.2 -0.793 77.9 100.0-120.0 90.2 -4.5 7.3 7.9 300 299 A A - 0 0 30 -2,-0.7 2,-0.4 -3,-0.2 3,-0.1 -0.929 51.2-143.8-167.1 143.2 -3.4 7.7 11.5 301 300 A L > - 0 0 50 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.963 13.5-149.4-125.0 128.3 -4.9 6.7 14.8 302 301 A L G > S+ 0 0 150 -2,-0.4 3,-1.5 1,-0.3 4,-0.2 0.847 98.9 66.7 -54.5 -35.2 -4.9 8.5 18.1 303 302 A S G 3 S+ 0 0 27 1,-0.3 -172,-3.0 2,-0.1 -1,-0.3 0.577 102.4 46.1 -66.4 -12.6 -4.9 5.0 19.8 304 303 A C G X S+ 0 0 15 -3,-1.7 3,-1.8 -174,-0.2 -1,-0.3 0.421 80.1 99.2-107.6 -0.3 -1.4 4.3 18.5 305 304 A T T < S+ 0 0 41 -3,-1.5 -2,-0.1 -4,-0.3 -1,-0.1 0.570 81.9 53.0 -72.5 -7.8 0.3 7.6 19.4 306 305 A S T 3 S+ 0 0 97 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.462 79.1 116.0-100.0 -3.7 1.9 6.2 22.5 307 306 A H S X S- 0 0 10 -3,-1.8 3,-2.1 1,-0.1 -3,-0.0 -0.419 73.4-127.3 -66.0 138.5 3.4 3.1 20.8 308 307 A K T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.1 -194,-0.0 0.814 110.4 42.6 -58.6 -29.7 7.2 3.3 21.0 309 308 A D T 3 S+ 0 0 27 -194,-0.1 -1,-0.3 -197,-0.0 -2,-0.1 0.126 75.9 145.8-104.4 18.7 7.5 2.9 17.3 310 309 A Y X - 0 0 31 -3,-2.1 3,-0.6 1,-0.1 -5,-0.1 -0.400 40.6-150.2 -53.8 127.8 4.6 5.2 16.3 311 310 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.667 76.5 65.9 -84.0 -14.8 5.9 6.6 13.0 312 311 A F T 3 S+ 0 0 33 1,-0.2 -2,-0.1 -149,-0.1 -7,-0.0 0.197 72.4 83.9-105.9 16.0 4.3 10.1 12.9 313 312 A H S < S+ 0 0 128 -3,-0.6 -1,-0.2 3,-0.0 2,-0.0 0.859 82.1 78.6 -71.0 -40.4 6.0 11.9 15.7 314 313 A E S S- 0 0 87 -3,-0.4 -150,-0.0 1,-0.1 0, 0.0 -0.342 92.4-121.2 -65.7 149.5 8.9 12.6 13.4 315 314 A E 0 0 137 1,-0.2 -1,-0.1 -2,-0.0 -120,-0.1 0.909 360.0 360.0 -55.4 -44.1 8.6 15.4 10.8 316 315 A F 0 0 46 -121,-0.1 -151,-0.5 -120,-0.1 -1,-0.2 -0.968 360.0 360.0-154.3 360.0 9.2 12.8 8.1