==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-OCT-06 2INE . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.H.T.HARRISON,A.MILNE,J.M.BROWNLEE . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 63.4 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.1 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 1 2 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 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 2 A S 0 0 126 0, 0.0 12,-2.2 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 -42.2 14.5 42.4 83.4 2 3 A R E -A 12 0A 99 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.993 360.0-144.3-141.6 144.0 11.7 43.0 80.8 3 4 A L E -A 11 0A 36 8,-2.6 8,-3.0 -2,-0.3 2,-0.3 -0.941 23.2-120.0-108.5 140.9 11.4 44.8 77.5 4 5 A L E -A 10 0A 100 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.533 26.6-153.7 -78.4 126.1 8.2 46.6 76.3 5 6 A L > - 0 0 2 4,-2.8 3,-2.3 -2,-0.3 198,-0.1 -0.641 30.7-105.6 -92.7 162.5 6.9 45.3 73.0 6 7 A N T 3 S+ 0 0 74 1,-0.3 171,-0.1 196,-0.3 -2,-0.1 0.513 120.1 60.2 -69.9 -4.9 4.8 47.4 70.6 7 8 A N T 3 S- 0 0 67 2,-0.2 -1,-0.3 169,-0.0 3,-0.1 0.366 120.8-107.2 -95.2 2.0 1.7 45.5 71.6 8 9 A G S < S+ 0 0 49 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.261 79.1 126.8 93.3 -14.7 2.2 46.6 75.2 9 10 A A - 0 0 33 144,-0.1 -4,-2.8 95,-0.1 2,-0.6 -0.402 59.1-123.5 -77.0 157.2 3.3 43.3 76.6 10 11 A K E -A 4 0A 118 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.898 19.6-155.2-107.0 121.4 6.5 42.8 78.5 11 12 A M E -A 3 0A 2 -8,-3.0 -8,-2.6 -2,-0.6 2,-0.1 -0.841 21.8-120.0 -97.1 123.0 9.0 40.3 77.2 12 13 A P E -A 2 0A 10 0, 0.0 -10,-0.3 0, 0.0 26,-0.0 -0.398 16.8-138.1 -61.2 132.5 11.5 38.8 79.7 13 14 A I S S+ 0 0 14 -12,-2.2 245,-3.0 244,-0.1 2,-0.4 0.744 87.5 53.3 -70.5 -22.5 15.0 39.6 78.6 14 15 A L B +b 258 0B 9 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.944 68.8 169.2-112.8 129.0 16.3 36.1 79.4 15 16 A G - 0 0 0 243,-2.5 2,-0.6 -2,-0.4 26,-0.2 -0.920 34.3-111.9-131.1 166.8 14.7 33.0 77.9 16 17 A L E -c 41 0B 2 24,-2.6 26,-2.9 -2,-0.3 245,-0.2 -0.869 28.7-146.3 -98.1 120.6 15.4 29.2 77.6 17 18 A G E -cd 42 261B 5 243,-1.9 245,-0.7 -2,-0.6 26,-0.1 -0.546 11.6-169.9 -83.1 153.8 16.1 27.9 74.1 18 19 A T > + 0 0 0 24,-0.6 3,-1.5 -2,-0.2 2,-0.3 0.267 37.6 127.6-132.0 9.9 15.0 24.4 73.2 19 20 A W T 3 S+ 0 0 66 1,-0.3 -2,-0.1 23,-0.1 28,-0.1 -0.590 87.5 9.5 -71.8 128.9 16.6 23.5 69.8 20 21 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 1,-0.3 28,-0.0 0.559 90.0 138.4 77.7 8.1 18.4 20.2 70.1 21 22 A S < - 0 0 4 -3,-1.5 -1,-0.3 26,-0.1 5,-0.1 -0.820 57.0-125.3 -86.2 111.2 16.9 19.5 73.5 22 23 A P >> - 0 0 48 0, 0.0 4,-2.4 0, 0.0 3,-2.0 -0.274 11.9-122.3 -60.4 145.7 16.0 15.8 73.3 23 24 A P H 3> S+ 0 0 62 0, 0.0 4,-0.7 0, 0.0 26,-0.0 0.853 112.9 56.7 -57.3 -34.4 12.3 14.9 74.2 24 25 A G H 34 S+ 0 0 79 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.515 118.8 30.6 -75.9 -5.8 13.5 12.7 77.0 25 26 A Q H <> S+ 0 0 99 -3,-2.0 4,-2.0 2,-0.1 -1,-0.2 0.623 100.6 75.0-122.6 -22.9 15.4 15.6 78.6 26 27 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.800 88.5 59.6 -74.1 -26.1 13.5 18.8 77.8 27 28 A T H X S+ 0 0 27 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.946 111.2 43.1 -66.2 -41.1 10.6 18.3 80.3 28 29 A E H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 113.3 52.6 -68.8 -39.4 13.1 18.2 83.1 29 30 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 111.2 45.3 -63.0 -45.2 15.0 21.1 81.7 30 31 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.886 111.6 52.4 -68.6 -37.5 11.9 23.3 81.4 31 32 A K H X S+ 0 0 37 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.4 45.0 -65.0 -43.3 10.7 22.5 84.9 32 33 A V H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.903 110.5 55.0 -64.2 -43.3 14.1 23.3 86.4 33 34 A A H X>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.2 4,-1.4 0.943 109.9 46.5 -57.1 -41.7 14.2 26.5 84.3 34 35 A I H <5S+ 0 0 0 -4,-2.5 3,-0.2 3,-0.2 -2,-0.2 0.922 112.4 49.5 -70.2 -38.7 10.8 27.6 85.7 35 36 A D H <5S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 110.0 52.0 -61.1 -40.8 11.8 26.7 89.3 36 37 A V H <5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.759 130.1 -96.9 -72.5 -26.7 15.1 28.7 88.9 37 38 A G T <5S+ 0 0 21 -4,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.491 70.7 147.3 127.3 1.9 13.0 31.7 87.7 38 39 A Y < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 -23,-0.1 -0.536 15.8 175.7 -62.3 141.3 13.0 31.6 83.8 39 40 A R + 0 0 57 -25,-0.5 33,-2.5 -2,-0.2 2,-0.4 0.170 58.2 68.3-130.8 13.6 9.7 32.9 82.5 40 41 A H E - e 0 72B 1 31,-0.2 -24,-2.6 -26,-0.2 2,-0.4 -0.999 57.0-174.0-142.3 119.5 10.4 32.9 78.8 41 42 A I E -ce 16 73B 0 31,-1.8 33,-2.3 -2,-0.4 2,-0.6 -0.992 15.4-146.0-119.7 128.1 10.7 29.7 76.7 42 43 A D E +ce 17 74B 5 -26,-2.9 -24,-0.6 -2,-0.4 2,-0.2 -0.866 31.1 167.5 -91.9 124.4 11.7 29.7 73.0 43 44 A C - 0 0 0 31,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.687 18.3-173.0-126.5 173.6 10.1 26.9 71.0 44 45 A A > > - 0 0 0 -2,-0.2 3,-1.1 31,-0.2 5,-0.5 -0.908 32.1-129.3-166.7 145.1 9.4 25.7 67.5 45 46 A H G > 5S+ 0 0 36 31,-1.0 3,-1.8 -2,-0.3 5,-0.2 0.898 109.2 60.5 -58.3 -39.5 7.4 23.0 65.7 46 47 A V G 3 5S+ 0 0 25 1,-0.3 -1,-0.2 30,-0.2 74,-0.1 0.643 88.2 71.7 -70.3 -10.2 10.5 22.0 63.8 47 48 A Y G < 5S- 0 0 38 -3,-1.1 -1,-0.3 -28,-0.1 -27,-0.2 0.577 95.4-140.6 -79.7 -9.2 12.4 21.2 67.0 48 49 A Q T < 5S+ 0 0 145 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.761 79.1 87.4 57.5 29.8 10.1 18.1 67.4 49 50 A N >< + 0 0 0 -5,-0.5 4,-1.9 -4,-0.1 5,-0.2 0.249 40.4 111.2-140.5 16.2 9.8 18.5 71.2 50 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.8 1,-0.2 5,-0.1 0.850 77.5 59.0 -64.8 -33.2 6.9 20.9 71.8 51 52 A N H > S+ 0 0 73 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 109.7 43.0 -56.6 -48.3 4.8 18.1 73.4 52 53 A E H > S+ 0 0 51 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.799 112.3 52.0 -73.8 -32.5 7.4 17.5 76.0 53 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.4 0.937 108.8 53.6 -61.7 -47.5 8.0 21.2 76.6 54 55 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.789 101.1 58.1 -58.9 -32.2 4.2 21.5 77.1 55 56 A V H X S+ 0 0 55 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.906 108.0 47.6 -63.3 -40.5 4.2 18.7 79.7 56 57 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.917 111.6 49.0 -67.6 -44.5 6.6 20.8 81.8 57 58 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.923 111.4 50.1 -61.2 -42.8 4.6 24.0 81.4 58 59 A Q H X S+ 0 0 79 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.890 109.2 52.3 -62.4 -41.1 1.4 22.2 82.4 59 60 A E H X S+ 0 0 82 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.915 111.1 45.2 -61.2 -43.6 3.1 20.7 85.5 60 61 A K H <>S+ 0 0 8 -4,-2.0 5,-1.8 2,-0.2 6,-1.0 0.792 113.5 50.7 -73.6 -34.3 4.3 24.1 86.8 61 62 A L H ><5S+ 0 0 30 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.918 111.0 47.4 -64.6 -45.0 0.9 25.7 86.1 62 63 A R H 3<5S+ 0 0 213 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.840 109.1 56.3 -67.4 -28.8 -0.9 23.0 88.0 63 64 A E T 3<5S- 0 0 111 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.607 109.0-125.4 -75.9 -11.4 1.6 23.4 90.8 64 65 A Q T < 5S+ 0 0 166 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.632 73.8 127.9 73.5 13.3 0.8 27.1 91.1 65 66 A V S > - 0 0 116 -2,-0.3 3,-1.6 -3,-0.1 4,-0.6 -0.753 34.6-107.7-103.3 158.8 0.4 31.6 86.5 68 69 A R G >4 S+ 0 0 29 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.889 116.9 58.7 -56.4 -37.8 -0.1 31.7 82.7 69 70 A E G 34 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.662 100.0 58.6 -65.1 -24.5 0.2 35.5 82.5 70 71 A E G <4 S+ 0 0 64 -3,-1.6 -1,-0.3 2,-0.0 2,-0.3 0.634 94.5 81.0 -76.1 -22.9 3.6 35.3 84.0 71 72 A L << - 0 0 2 -3,-1.6 2,-0.5 -4,-0.6 -31,-0.2 -0.666 62.4-157.6 -87.9 147.5 5.0 33.1 81.3 72 73 A F E -e 40 0B 4 -33,-2.5 -31,-1.8 -2,-0.3 2,-0.5 -0.951 16.9-172.5-124.8 104.3 6.1 34.3 77.8 73 74 A I E -e 41 0B 0 -2,-0.5 32,-1.5 -33,-0.2 31,-1.4 -0.895 1.0-170.1-110.2 124.1 5.9 31.4 75.4 74 75 A V E +ef 42 105B 0 -33,-2.3 -31,-2.6 -2,-0.5 2,-0.3 -0.936 10.0 166.3-115.5 134.0 7.3 31.8 71.9 75 76 A S E - f 0 106B 0 30,-1.8 32,-2.2 -2,-0.4 2,-0.3 -0.843 21.3-133.5-134.7 179.9 7.0 29.5 68.9 76 77 A K E - f 0 107B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.993 14.8-119.1-140.7 143.9 7.6 29.8 65.2 77 78 A L E - f 0 108B 0 30,-3.3 32,-2.0 -2,-0.3 33,-0.4 -0.698 36.6-130.1 -83.0 119.7 5.9 28.9 61.8 78 79 A W > - 0 0 8 -2,-0.5 3,-1.7 31,-0.1 12,-0.1 -0.267 20.2-109.4 -72.8 157.7 8.0 26.5 59.8 79 80 A C G > S+ 0 0 0 1,-0.3 35,-2.4 2,-0.1 3,-0.8 0.680 113.5 62.9 -62.1 -24.4 8.8 27.1 56.1 80 81 A T G 3 S+ 0 0 2 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.477 100.5 56.0 -80.8 -0.1 6.5 24.4 54.8 81 82 A Y G < + 0 0 57 -3,-1.7 -1,-0.2 1,-0.1 9,-0.2 0.021 69.4 112.5-122.3 30.8 3.5 26.2 56.2 82 83 A H < + 0 0 3 -3,-0.8 60,-0.2 32,-0.3 -1,-0.1 0.734 47.1 98.6 -78.4 -27.8 3.8 29.6 54.6 83 84 A E S >> S- 0 0 43 -3,-0.2 3,-1.7 1,-0.1 4,-1.0 -0.342 85.4-111.2 -65.7 150.7 0.8 29.6 52.4 84 85 A K H >> S+ 0 0 99 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.855 112.6 50.0 -49.3 -48.5 -2.3 31.4 53.7 85 86 A G H 34 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.589 110.6 50.5 -75.1 -8.3 -4.5 28.4 54.3 86 87 A L H <> S+ 0 0 65 -3,-1.7 4,-1.9 2,-0.1 -1,-0.2 0.626 89.2 78.4-100.5 -20.1 -1.8 26.4 56.2 87 88 A V H S+ 0 0 39 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.858 107.6 49.7 -62.0 -42.1 -3.3 25.0 61.2 90 91 A A H X S+ 0 0 11 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 111.5 50.1 -62.7 -41.7 0.4 25.1 62.0 91 92 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 109.7 50.1 -63.8 -40.9 -0.3 27.5 64.9 92 93 A Q H X S+ 0 0 94 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.859 107.2 54.2 -69.8 -33.5 -3.1 25.3 66.3 93 94 A K H X S+ 0 0 107 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.943 110.5 46.7 -63.8 -46.8 -0.9 22.2 66.2 94 95 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.902 109.4 55.1 -62.0 -38.7 1.8 24.0 68.3 95 96 A L H X>S+ 0 0 12 -4,-2.4 5,-2.4 1,-0.2 4,-1.0 0.907 110.2 44.9 -63.3 -39.0 -0.9 25.2 70.7 96 97 A S H <5S+ 0 0 68 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.916 112.3 50.5 -73.9 -38.2 -2.1 21.6 71.4 97 98 A D H <5S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 117.4 40.3 -60.3 -46.9 1.4 20.2 71.8 98 99 A L H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.692 108.4-133.0 -73.8 -16.3 2.3 23.0 74.2 99 100 A K T <5 + 0 0 68 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.926 62.0 126.1 60.9 45.0 -1.2 22.6 75.7 100 101 A L < - 0 0 20 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.852 60.2-141.7-121.2 164.7 -1.9 26.3 75.7 101 102 A D S S+ 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.562 85.5 17.9-106.7 -7.1 -4.7 28.4 74.3 102 103 A Y - 0 0 40 -7,-0.1 2,-0.4 50,-0.0 -1,-0.2 -0.984 66.3-135.8-151.4 155.5 -2.6 31.3 73.1 103 104 A L B -k 152 0C 0 48,-1.9 50,-2.4 -2,-0.3 51,-0.3 -0.875 12.6-142.5-100.8 146.9 1.1 32.1 72.4 104 105 A D S S+ 0 0 17 -31,-1.4 50,-0.4 -2,-0.4 2,-0.3 0.861 89.0 8.7 -72.5 -33.9 2.7 35.3 73.6 105 106 A L E -f 74 0B 1 -32,-1.5 -30,-1.8 48,-0.2 2,-0.4 -0.987 62.2-168.6-150.5 133.1 4.7 35.6 70.4 106 107 A Y E -fg 75 155B 1 48,-1.8 50,-2.2 -2,-0.3 2,-0.3 -0.994 15.1-162.9-126.7 125.9 4.6 33.7 67.1 107 108 A L E -fg 76 156B 0 -32,-2.2 -30,-3.3 -2,-0.4 2,-0.7 -0.801 28.8-121.3-110.7 140.7 7.5 34.1 64.6 108 109 A I E -fg 77 157B 2 48,-1.7 50,-0.9 -2,-0.3 -30,-0.1 -0.813 34.4-148.5 -69.5 114.4 7.9 33.4 60.9 109 110 A H S S- 0 0 13 -32,-2.0 -1,-0.2 -2,-0.7 -31,-0.1 0.855 70.9 -0.5 -62.8 -45.6 10.9 31.1 61.4 110 111 A W - 0 0 18 -33,-0.4 -1,-0.2 2,-0.2 49,-0.1 -0.975 66.9-124.3-140.1 153.1 12.6 31.8 58.1 111 112 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 197,-0.1 0.737 86.6 93.7 -71.2 -13.8 11.6 34.1 55.2 112 113 A T - 0 0 0 195,-0.1 2,-0.4 194,-0.0 -2,-0.2 -0.566 64.7-151.8 -85.3 127.0 11.9 31.2 52.8 113 114 A G - 0 0 1 -2,-0.3 19,-2.1 19,-0.3 2,-0.3 -0.848 11.7-161.0 -97.4 135.2 8.8 29.1 52.0 114 115 A F B -L 131 0D 0 -35,-2.4 -32,-0.3 -2,-0.4 3,-0.1 -0.841 36.9 -78.1-105.8 161.8 9.2 25.5 51.0 115 116 A K - 0 0 91 15,-2.7 17,-0.1 -2,-0.3 15,-0.1 -0.252 58.1-107.5 -52.3 128.9 6.8 23.1 49.2 116 117 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 -0.260 69.3 100.5 -63.8 141.3 4.1 22.0 51.7 117 118 A G S S- 0 0 43 -37,-0.2 -37,-0.1 -3,-0.1 -3,-0.0 -0.984 83.2 -69.6 169.1-168.4 4.4 18.4 52.8 118 119 A K S S+ 0 0 199 -2,-0.3 2,-0.5 3,-0.0 -1,-0.1 0.676 102.3 85.3 -89.6 -20.9 5.6 16.1 55.6 119 120 A E - 0 0 128 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 -0.736 68.7-149.9 -78.3 132.0 9.3 16.7 55.0 120 121 A F S S+ 0 0 45 -2,-0.5 -1,-0.1 1,-0.3 -41,-0.1 0.831 100.2 31.6 -66.6 -34.1 10.6 19.8 56.8 121 122 A F S S- 0 0 81 -3,-0.1 -1,-0.3 -42,-0.0 -3,-0.0 -0.698 89.5-156.8-124.0 83.2 13.1 20.2 54.0 122 123 A P - 0 0 6 0, 0.0 8,-2.0 0, 0.0 2,-0.3 -0.302 11.1-161.6 -65.4 131.6 11.4 18.8 50.9 123 124 A L B -M 129 0E 92 6,-0.2 6,-0.2 1,-0.1 -4,-0.0 -0.851 7.9-141.7-114.5 149.0 13.9 17.7 48.2 124 125 A D - 0 0 69 4,-1.8 3,-0.5 -2,-0.3 -1,-0.1 -0.030 45.8 -81.3 -87.2-162.0 13.5 17.1 44.4 125 126 A E S S+ 0 0 187 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.729 132.5 51.9 -79.2 -20.6 15.1 14.3 42.4 126 127 A S S S- 0 0 91 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.318 119.9-114.0 -93.6 0.6 18.4 16.3 42.1 127 128 A G S S+ 0 0 42 -3,-0.5 2,-0.2 1,-0.3 -2,-0.1 0.476 70.9 126.8 93.4 3.8 18.3 16.6 45.9 128 129 A N - 0 0 84 1,-0.1 -4,-1.8 -5,-0.0 -1,-0.3 -0.572 68.0 -85.2 -98.3 159.4 17.8 20.4 46.4 129 130 A V B -M 123 0E 16 172,-0.6 -6,-0.2 -6,-0.2 -1,-0.1 -0.406 38.2-135.2 -67.6 129.3 15.1 22.2 48.4 130 131 A V - 0 0 30 -8,-2.0 -15,-2.7 -2,-0.1 2,-0.1 -0.817 22.9-143.0 -89.1 116.8 11.8 22.8 46.6 131 132 A P B -L 114 0D 72 0, 0.0 -17,-0.3 0, 0.0 2,-0.3 -0.383 5.0-129.0 -77.8 151.7 10.5 26.3 47.1 132 133 A S - 0 0 9 -19,-2.1 -19,-0.3 -17,-0.1 -17,-0.1 -0.699 17.7-131.0 -83.4 153.6 6.9 27.5 47.5 133 134 A D S S+ 0 0 150 -2,-0.3 -1,-0.1 -19,-0.1 -19,-0.0 0.338 73.0 116.4 -87.8 6.6 5.9 30.4 45.3 134 135 A T - 0 0 17 1,-0.1 -21,-0.3 -20,-0.0 2,-0.3 -0.237 54.1-146.8 -66.3 159.3 4.5 32.2 48.3 135 136 A N > - 0 0 58 -53,-0.1 4,-1.7 -23,-0.1 5,-0.1 -0.803 24.4-103.3-126.2 174.8 5.9 35.5 49.4 136 137 A I H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.851 113.5 55.0 -68.7 -36.6 6.6 37.3 52.7 137 138 A L H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 109.2 46.4 -70.6 -39.4 3.7 39.8 52.5 138 139 A D H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.875 112.8 49.8 -68.0 -40.0 1.0 37.1 52.0 139 140 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.911 109.5 53.4 -63.4 -38.5 2.4 35.0 54.9 140 141 A W H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 105.1 52.9 -64.0 -41.6 2.4 38.2 57.0 141 142 A A H X S+ 0 0 19 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.885 109.1 50.3 -60.2 -36.2 -1.3 38.8 56.3 142 143 A A H X S+ 0 0 4 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.838 109.5 50.7 -69.7 -32.6 -2.0 35.2 57.4 143 144 A M H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 3,-0.5 0.843 104.0 60.4 -69.5 -36.4 -0.0 35.9 60.6 144 145 A E H >X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 3,-0.8 0.875 99.4 55.3 -61.6 -35.1 -2.1 39.0 61.2 145 146 A E H 3X S+ 0 0 84 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.785 96.3 64.2 -72.0 -22.3 -5.3 37.1 61.3 146 147 A L H 3<>S+ 0 0 3 -4,-0.7 5,-1.6 -3,-0.5 6,-1.2 0.814 104.3 48.1 -65.5 -31.0 -4.0 34.9 64.1 147 148 A V H X<5S+ 0 0 31 -4,-0.8 3,-1.5 -3,-0.8 -2,-0.2 0.946 109.4 52.2 -71.2 -46.7 -3.8 38.0 66.2 148 149 A D H 3<5S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.718 111.1 48.9 -60.0 -23.3 -7.4 38.9 65.2 149 150 A E T 3<5S- 0 0 89 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.480 112.4-115.5 -99.6 -1.4 -8.6 35.5 66.3 150 151 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.533 82.4 117.3 84.0 7.8 -6.9 35.4 69.7 151 152 A L S - 0 0 12 -2,-0.5 4,-2.3 -3,-0.1 3,-0.5 -0.406 33.8 -96.6 -78.7 171.1 17.3 41.0 56.6 162 163 A H H > S+ 0 0 36 152,-1.9 4,-2.6 1,-0.3 5,-0.1 0.811 123.4 52.5 -65.1 -29.7 16.6 44.7 56.7 163 164 A L H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.849 109.7 49.7 -74.2 -33.1 15.0 44.8 53.2 164 165 A Q H > S+ 0 0 14 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.915 111.7 47.6 -68.8 -42.5 12.7 42.0 54.1 165 166 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.925 110.9 53.7 -59.2 -44.6 11.7 43.8 57.3 166 167 A E H X S+ 0 0 56 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.880 101.8 58.1 -56.1 -46.3 11.3 46.9 55.2 167 168 A M H < S+ 0 0 103 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.870 110.4 43.4 -50.7 -45.4 8.9 45.0 52.8 168 169 A I H >< S+ 0 0 0 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.2 0.949 111.9 52.1 -68.3 -47.7 6.6 44.3 55.8 169 170 A L H 3< S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.759 114.1 45.5 -61.3 -20.0 6.8 47.8 57.2 170 171 A N T 3< S+ 0 0 108 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.369 81.7 128.1-106.0 4.3 5.9 49.2 53.8 171 172 A K X - 0 0 32 -3,-1.8 3,-2.0 -4,-0.2 2,-0.1 -0.408 66.3-114.5 -65.3 125.8 3.0 46.8 53.1 172 173 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.413 102.6 16.3 -60.0 128.2 -0.2 48.6 52.1 173 174 A G T 3 S+ 0 0 76 1,-0.2 -2,-0.1 -2,-0.1 2,-0.0 0.589 83.8 176.4 80.7 11.5 -2.9 47.9 54.8 174 175 A L < + 0 0 49 -3,-2.0 -1,-0.2 1,-0.2 3,-0.1 -0.271 6.4 176.8 -48.3 118.6 -0.3 46.8 57.3 175 176 A K + 0 0 121 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.801 63.2 29.0 -98.7 -39.6 -2.3 46.2 60.5 176 177 A Y S S- 0 0 74 -22,-0.0 -1,-0.3 -169,-0.0 3,-0.1 -0.992 73.4-138.9-128.3 125.1 0.3 44.8 63.0 177 178 A K - 0 0 76 -2,-0.4 -22,-0.3 -3,-0.1 2,-0.1 -0.543 39.7 -92.0 -72.9 145.2 4.0 45.7 62.9 178 179 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.396 36.1-160.2 -51.4 127.3 6.5 42.8 63.6 179 180 A A + 0 0 2 -24,-2.7 25,-2.4 1,-0.2 2,-0.3 0.827 68.8 18.3 -82.9 -30.6 7.2 42.9 67.3 180 181 A V E - i 0 204B 0 -25,-0.3 -23,-2.8 23,-0.2 2,-0.5 -0.965 53.3-157.8-145.8 137.9 10.4 41.0 67.3 181 182 A N E -hi 157 205B 0 23,-2.3 25,-1.6 -2,-0.3 2,-0.6 -0.984 20.4-157.2-115.5 110.0 13.2 40.0 64.8 182 183 A Q E +hi 158 206B 7 -25,-2.2 -23,-2.2 -2,-0.5 2,-0.3 -0.860 25.8 161.3 -90.9 117.8 15.0 37.0 66.2 183 184 A I E - i 0 207B 4 23,-2.7 25,-2.6 -2,-0.6 2,-0.3 -0.930 45.3 -89.5-136.2 159.6 18.5 36.7 64.7 184 185 A E E + i 0 208B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.539 53.7 163.5 -68.9 133.0 21.8 35.1 65.4 185 186 A C + 0 0 4 23,-2.1 5,-0.2 -2,-0.3 27,-0.2 -0.917 9.6 122.1-161.3 126.6 24.1 37.2 67.5 186 187 A H B > S-N 189 0F 4 3,-1.3 3,-1.5 -2,-0.3 25,-0.1 -0.906 75.3 -69.3-165.0-179.2 27.2 36.8 69.6 187 188 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 24,-0.0 0.732 130.3 52.4 -64.1 -16.3 30.7 38.3 69.6 188 189 A Y T 3 S+ 0 0 4 1,-0.3 104,-2.4 103,-0.2 106,-1.8 0.657 122.5 29.4 -90.3 -7.6 31.7 36.6 66.3 189 190 A L B < S+N 186 0F 6 -3,-1.5 -3,-1.3 104,-0.2 -1,-0.3 -0.732 71.3 171.6-149.3 81.3 28.6 38.0 64.5 190 191 A T - 0 0 2 -3,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.659 23.7-153.1 -80.3 -24.1 27.7 41.3 66.2 191 192 A Q > + 0 0 24 1,-0.1 4,-2.8 3,-0.1 5,-0.3 0.777 29.8 162.3 63.4 39.5 25.0 42.4 63.8 192 193 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 70.9 44.4 -65.2 -36.8 25.5 46.1 64.5 193 194 A K H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 115.9 43.5 -73.7 -45.2 23.7 47.4 61.4 194 195 A L H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 116.0 50.4 -71.2 -34.8 20.7 45.1 61.5 195 196 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.919 111.3 46.7 -66.7 -43.2 20.3 45.7 65.2 196 197 A Q H X S+ 0 0 101 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.925 112.9 51.8 -69.2 -33.4 20.5 49.5 64.9 197 198 A Y H X S+ 0 0 29 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.947 112.2 43.8 -61.4 -51.7 18.0 49.3 62.0 198 199 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.7 0.908 112.5 51.2 -66.6 -41.6 15.4 47.2 64.0 199 200 A Q H ><5S+ 0 0 65 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.843 105.2 57.0 -66.5 -30.1 15.7 49.2 67.2 200 201 A S H 3<5S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 108.7 47.3 -71.6 -23.8 15.1 52.4 65.2 201 202 A K T <<5S- 0 0 87 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.301 122.0-105.4 -97.1 5.5 11.8 51.0 63.9 202 203 A G T < 5S+ 0 0 45 -3,-1.1 2,-0.5 1,-0.3 -196,-0.3 0.733 73.9 140.9 79.7 19.2 10.7 49.9 67.4 203 204 A I < - 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.2 -0.876 49.1-131.9 -94.5 124.3 11.3 46.2 66.7 204 205 A V E -i 180 0B 21 -25,-2.4 -23,-2.3 -2,-0.5 2,-0.5 -0.536 18.7-140.5 -75.1 133.1 12.8 44.2 69.6 205 206 A V E -i 181 0B 0 50,-0.4 52,-2.5 -25,-0.2 2,-0.5 -0.887 11.0-162.3 -98.7 129.0 15.8 42.0 68.7 206 207 A T E -ij 182 257B 0 -25,-1.6 -23,-2.7 -2,-0.5 2,-0.6 -0.971 13.8-141.8-108.0 125.0 16.3 38.6 70.2 207 208 A A E -ij 183 258B 0 50,-3.5 52,-1.5 -2,-0.5 -23,-0.2 -0.841 18.7-168.8 -88.7 115.6 19.8 37.1 70.0 208 209 A Y E +i 184 0B 22 -25,-2.6 -23,-2.1 -2,-0.6 4,-0.1 -0.615 67.3 25.9-100.1 164.9 19.9 33.3 69.3 209 210 A S S > S+ 0 0 14 50,-0.3 3,-1.8 -2,-0.2 -1,-0.2 0.880 70.4 166.8 48.1 52.8 23.0 31.1 69.5 210 211 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.684 74.8 45.3 -69.9 -21.0 24.5 33.5 72.1 211 212 A L T 3 S- 0 0 26 -25,-0.1 16,-0.5 -24,-0.0 15,-0.3 0.226 125.8 -99.7-100.4 5.9 27.2 30.9 73.1 212 213 A G < - 0 0 4 -3,-1.8 4,-0.1 1,-0.2 -3,-0.1 0.575 52.2 -93.5 86.0 8.2 27.9 30.1 69.5 213 214 A S > - 0 0 9 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 0.920 50.0-176.2 51.3 62.5 25.8 26.9 69.4 214 215 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.731 80.4 55.1 -65.8 -17.3 28.6 24.4 70.3 215 216 A D T 3 S+ 0 0 65 3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 0.301 73.6 134.6 -97.2 10.0 26.2 21.5 69.9 216 217 A R X - 0 0 18 -3,-2.1 3,-1.6 -4,-0.1 81,-0.0 -0.321 62.8-125.9 -55.4 136.5 25.1 22.4 66.4 217 218 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.563 105.9 54.7 -69.5 -10.4 25.1 19.2 64.3 218 219 A W T 3 S+ 0 0 124 78,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.175 78.0 138.2-106.3 15.3 27.3 20.6 61.6 219 220 A A < - 0 0 48 -3,-1.6 -6,-0.0 -6,-0.1 77,-0.0 -0.302 35.3-161.0 -60.1 136.9 30.1 21.6 63.9 220 221 A K > - 0 0 126 4,-0.1 3,-1.1 1,-0.0 -2,-0.1 -0.870 26.5-120.4-110.1 159.7 33.7 20.9 62.8 221 222 A P T 3 S+ 0 0 131 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.686 111.4 56.1 -73.2 -16.4 36.8 20.8 65.1 222 223 A E T 3 S+ 0 0 147 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.266 85.1 108.7 -95.0 8.5 38.6 23.6 63.3 223 224 A D S < S- 0 0 49 -3,-1.1 -4,-0.0 1,-0.1 2,-0.0 -0.622 80.1 -98.9 -82.5 145.5 35.6 26.0 63.9 224 225 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.320 30.7-146.2 -61.9 144.4 36.1 28.8 66.4 225 226 A S - 0 0 49 1,-0.1 3,-0.5 3,-0.0 4,-0.2 -0.968 11.4-167.0-116.2 118.4 34.7 28.4 69.9 226 227 A L S > S+ 0 0 4 -2,-0.5 3,-1.4 -15,-0.3 6,-0.2 0.908 91.9 56.0 -62.3 -44.8 33.3 31.4 71.8 227 228 A L T 3 S+ 0 0 51 -16,-0.5 -1,-0.2 1,-0.3 16,-0.2 0.710 113.2 41.0 -64.6 -18.8 33.3 29.5 75.1 228 229 A E T 3 S+ 0 0 125 -3,-0.5 -1,-0.3 15,-0.1 -2,-0.2 0.279 79.3 127.3-111.6 3.4 37.0 28.7 74.7 229 230 A D <> - 0 0 7 -3,-1.4 4,-2.8 -4,-0.2 3,-0.4 -0.538 52.2-150.4 -64.1 116.6 38.1 32.1 73.4 230 231 A P H > S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.842 95.9 56.8 -65.6 -24.5 41.0 33.2 75.8 231 232 A R H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.872 111.3 42.7 -72.6 -32.9 40.1 36.8 75.3 232 233 A I H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.910 109.9 56.4 -82.2 -33.3 36.6 36.2 76.5 233 234 A K H X S+ 0 0 98 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.853 105.3 54.4 -59.2 -38.7 37.8 33.9 79.3 234 235 A A H X S+ 0 0 59 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.901 106.6 48.4 -63.6 -45.0 39.9 36.9 80.5 235 236 A I H X S+ 0 0 13 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.929 113.9 49.1 -62.1 -39.2 36.9 39.3 80.6 236 237 A A H >X>S+ 0 0 3 -4,-2.3 5,-2.3 1,-0.2 3,-0.9 0.928 108.3 51.8 -65.5 -46.6 35.0 36.6 82.6 237 238 A A H ><5S+ 0 0 72 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.888 105.4 57.3 -59.2 -36.2 37.9 36.0 85.0 238 239 A K H 3<5S+ 0 0 124 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.793 112.8 39.9 -62.2 -34.5 38.0 39.7 85.7 239 240 A H H <<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.418 109.6-118.8 -95.2 -0.1 34.4 39.7 86.8 240 241 A N T <<5S+ 0 0 154 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.865 77.5 119.7 60.1 34.4 34.5 36.3 88.7 241 242 A K < - 0 0 37 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.729 68.6-102.0-118.2 169.2 31.9 35.0 86.2 242 243 A T > - 0 0 49 -2,-0.2 4,-1.8 28,-0.1 5,-0.1 -0.481 32.9-112.2 -84.6 163.0 31.9 32.1 83.7 243 244 A T H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.836 120.0 55.2 -62.9 -33.5 32.4 32.7 80.0 244 245 A A H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.941 106.0 50.6 -64.6 -43.7 28.8 31.6 79.4 245 246 A Q H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 111.2 48.7 -63.5 -36.9 27.6 34.3 81.9 246 247 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.944 110.8 50.2 -65.3 -43.8 29.7 36.9 80.1 247 248 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.735 113.7 45.9 -68.3 -24.5 28.3 35.9 76.7 248 249 A I H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.849 112.3 49.6 -85.9 -35.9 24.7 36.0 78.1 249 250 A R H X S+ 0 0 38 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.847 99.5 70.4 -69.2 -32.1 25.2 39.4 79.8 250 251 A F H < S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.931 101.1 40.1 -54.2 -55.9 26.7 40.9 76.5 251 252 A P H >4>S+ 0 0 5 0, 0.0 5,-2.1 0, 0.0 3,-1.2 0.856 110.0 62.8 -65.2 -28.6 23.4 41.0 74.4 252 253 A M H ><5S+ 0 0 14 -4,-0.9 3,-1.5 1,-0.3 -2,-0.2 0.886 100.2 51.1 -62.1 -39.6 21.5 42.1 77.5 253 254 A Q T 3<5S+ 0 0 52 -4,-1.8 -1,-0.3 -3,-0.5 -3,-0.1 0.473 104.8 57.6 -79.9 -1.5 23.5 45.3 77.8 254 255 A R T < 5S- 0 0 27 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.207 123.4-107.1-102.5 11.0 22.8 46.0 74.1 255 256 A N T < 5S+ 0 0 101 -3,-1.5 -50,-0.4 1,-0.3 2,-0.3 0.864 75.5 139.2 62.6 36.8 19.0 45.9 74.9 256 257 A L < - 0 0 0 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.855 56.1-123.7-104.7 146.7 18.6 42.4 73.3 257 258 A V E - j 0 206B 0 -52,-2.5 -50,-3.5 -2,-0.3 2,-0.4 -0.672 32.3-155.5 -82.1 139.5 16.6 39.5 74.5 258 259 A V E -bj 14 207B 0 -245,-3.0 -243,-2.5 -2,-0.3 -50,-0.2 -0.988 16.3-170.3-129.0 137.6 18.8 36.5 74.8 259 260 A I - 0 0 9 -52,-1.5 -50,-0.3 -2,-0.4 -243,-0.1 -0.520 8.1-175.8-130.1 68.7 17.8 32.8 74.7 260 261 A P - 0 0 1 0, 0.0 -243,-1.9 0, 0.0 2,-0.4 -0.344 21.5-134.1 -62.4 139.0 20.7 30.4 75.7 261 262 A K B +d 17 0B 54 -245,-0.2 2,-0.3 -243,-0.0 -243,-0.1 -0.798 34.8 154.3 -95.3 134.9 19.8 26.7 75.4 262 263 A S - 0 0 8 -245,-0.7 -241,-0.1 -2,-0.4 0, 0.0 -0.932 30.7-177.3-155.0 143.5 20.6 24.1 78.1 263 264 A V + 0 0 22 -2,-0.3 -234,-0.1 -234,-0.0 -1,-0.0 0.175 67.4 97.4-111.6 11.8 19.2 20.7 79.2 264 265 A T >> - 0 0 40 1,-0.1 4,-2.8 -235,-0.0 3,-0.5 -0.884 68.6-146.2-109.2 117.2 21.7 20.6 82.1 265 266 A P H 3> S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.849 97.1 48.9 -57.0 -37.0 20.3 21.8 85.5 266 267 A E H 3> S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.855 114.8 45.8 -73.8 -28.4 23.5 23.3 86.8 267 268 A R H <> S+ 0 0 153 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.884 109.6 54.4 -78.1 -37.5 24.1 25.2 83.5 268 269 A I H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.923 113.6 43.4 -57.4 -44.4 20.4 26.3 83.5 269 270 A A H >X S+ 0 0 37 -4,-2.1 4,-0.8 -5,-0.2 3,-0.8 0.914 113.2 51.2 -67.3 -43.3 21.0 27.7 87.0 270 271 A E H >< S+ 0 0 55 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.908 106.2 55.0 -61.0 -42.3 24.4 29.2 86.0 271 272 A N H 3< S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.660 102.6 58.1 -68.6 -17.6 22.9 31.0 83.0 272 273 A F H << S+ 0 0 61 -3,-0.8 2,-2.2 -4,-0.6 3,-0.4 0.760 85.1 80.9 -81.3 -25.2 20.3 32.6 85.2 273 274 A K << + 0 0 102 -3,-1.0 -1,-0.2 -4,-0.8 -3,-0.0 -0.363 61.8 102.9 -85.2 62.9 22.9 34.3 87.5 274 275 A V + 0 0 0 -2,-2.2 3,-0.3 -3,-0.1 -1,-0.2 0.300 56.8 75.2-126.2 6.9 23.5 37.2 85.1 275 276 A F S S+ 0 0 90 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.459 82.6 68.2-101.1 -5.2 21.6 40.1 86.6 276 277 A D S S+ 0 0 112 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.165 97.6 45.4-105.8 13.6 24.0 40.9 89.5 277 278 A F - 0 0 27 -3,-0.3 2,-0.4 2,-0.0 -38,-0.0 -0.947 64.6-142.1-148.0 166.2 27.0 42.3 87.5 278 279 A E - 0 0 144 -2,-0.3 2,-0.4 -39,-0.0 -3,-0.0 -0.999 13.5-133.3-133.0 135.5 27.7 44.7 84.7 279 280 A L - 0 0 3 -2,-0.4 -2,-0.0 -30,-0.1 2,-0.0 -0.731 35.5-120.0 -77.4 133.8 30.2 44.6 81.9 280 281 A S > - 0 0 47 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.272 24.8-106.0 -65.1 164.6 32.0 48.0 81.6 281 282 A S H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 125.0 55.9 -65.5 -26.5 31.8 50.0 78.4 282 283 A Q H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 106.9 47.7 -68.4 -42.5 35.4 48.9 77.7 283 284 A D H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.918 113.6 49.4 -60.2 -48.0 34.4 45.2 78.0 284 285 A M H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 111.7 46.1 -56.4 -53.5 31.5 45.9 75.7 285 286 A T H X S+ 0 0 95 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.867 113.1 51.8 -60.8 -37.4 33.5 47.7 73.0 286 287 A T H >< S+ 0 0 44 -4,-2.2 3,-0.5 2,-0.2 4,-0.5 0.950 109.3 48.5 -63.6 -47.4 36.2 44.9 73.3 287 288 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.904 109.3 54.2 -63.0 -34.4 33.6 42.2 72.8 288 289 A L H >< S+ 0 0 37 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.813 99.2 62.7 -67.6 -28.9 32.2 44.1 69.8 289 290 A S T << S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.627 87.0 74.0 -74.1 -8.4 35.7 44.2 68.2 290 291 A Y T < + 0 0 25 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.479 66.2 135.4 -84.1 1.2 35.7 40.4 68.0 291 292 A N < + 0 0 49 -3,-1.2 -103,-0.2 1,-0.2 -102,-0.2 -0.219 20.4 164.4 -56.5 134.4 33.2 40.4 65.1 292 293 A R - 0 0 125 -104,-2.4 -103,-0.2 2,-0.1 -1,-0.2 0.256 53.3-118.1-124.1 -6.2 34.2 38.0 62.3 293 294 A N + 0 0 120 -105,-0.9 2,-0.6 1,-0.2 -104,-0.2 0.885 59.0 161.4 55.6 43.2 30.9 37.9 60.5 294 295 A W - 0 0 47 -106,-1.8 2,-0.5 2,-0.0 -1,-0.2 -0.849 24.2-156.9 -97.5 121.2 30.8 34.1 61.3 295 296 A R - 0 0 75 -2,-0.6 3,-0.2 1,-0.2 -110,-0.0 -0.826 21.8-172.6-103.0 129.7 27.4 32.4 61.1 296 297 A V S S+ 0 0 4 -2,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.857 90.0 42.5 -67.8 -47.7 26.4 29.2 62.8 297 298 A C + 0 0 14 1,-0.1 -1,-0.2 2,-0.1 -113,-0.1 -0.828 60.4 147.7-113.3 93.0 23.0 29.2 60.9 298 299 A A - 0 0 20 -2,-0.7 12,-0.2 -3,-0.2 -1,-0.1 0.361 52.4-132.2-109.1 3.1 23.4 30.1 57.3 299 300 A L > - 0 0 20 1,-0.1 3,-1.9 2,-0.1 11,-0.1 0.912 33.6-178.2 45.4 58.9 20.6 27.9 55.9 300 301 A L G > + 0 0 134 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.661 68.4 64.1 -73.7 -17.2 23.0 26.7 53.2 301 302 A S G 3 S+ 0 0 66 1,-0.2 -172,-0.6 2,-0.1 -1,-0.3 0.637 104.6 49.2 -73.8 -12.2 20.6 24.4 51.4 302 303 A C G X + 0 0 4 -3,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.133 66.9 121.0-116.5 22.8 18.5 27.4 50.4 303 304 A T T < S+ 0 0 64 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.711 80.5 47.3 -68.8 -14.3 21.2 29.8 49.1 304 305 A S T 3 S+ 0 0 117 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.373 83.6 121.4 -97.6 -7.4 19.4 29.9 45.7 305 306 A H S X S- 0 0 18 -3,-2.3 3,-2.2 1,-0.1 -3,-0.1 -0.438 73.1-123.4 -61.9 140.6 15.9 30.5 47.2 306 307 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.756 111.9 41.7 -56.3 -23.8 14.3 33.7 45.9 307 308 A D T 3 S+ 0 0 27 -194,-0.1 -1,-0.3 -5,-0.1 -195,-0.1 0.086 74.7 148.5-112.9 20.0 14.0 34.9 49.6 308 309 A Y < - 0 0 22 -3,-2.2 3,-0.5 -6,-0.1 4,-0.2 -0.362 36.0-154.0 -55.5 127.0 17.4 33.8 51.0 309 310 A P S S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.745 75.0 65.8 -83.5 -19.1 18.1 36.4 53.6 310 311 A F S S+ 0 0 37 1,-0.2 -2,-0.1 -12,-0.2 -7,-0.0 0.166 76.2 78.6-104.4 17.2 21.9 36.4 53.8 311 312 A H S S+ 0 0 125 -3,-0.5 -1,-0.2 3,-0.0 2,-0.0 0.798 81.9 80.1 -82.9 -37.1 23.1 37.7 50.4 312 313 A E S S- 0 0 95 -3,-0.5 -150,-0.0 -4,-0.2 0, 0.0 -0.344 93.6-116.4 -66.0 154.1 22.3 41.3 51.5 313 314 A E 0 0 148 1,-0.1 -1,-0.1 -2,-0.0 -120,-0.1 0.921 360.0 360.0 -59.5 -44.6 24.8 43.1 53.7 314 315 A F 0 0 52 -121,-0.1 -152,-1.9 -120,-0.1 -1,-0.1 0.326 360.0 360.0-155.7 360.0 22.3 43.3 56.5