==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 24-MAR-11 3R8G . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YOSAATMADJA,R.M.TEAGUE,J.U.FLANAGAN,C.J.SQUIRE . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 0 1 2 1 1 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 2 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 . 2 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 6 A Q 0 0 101 0, 0.0 12,-2.5 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0-169.5 21.9 3.9 2.1 2 7 A C E -A 12 0A 70 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.838 360.0-132.9-128.5 160.8 21.6 5.1 5.7 3 8 A V E -A 11 0A 46 8,-2.7 8,-2.9 -2,-0.3 2,-0.5 -0.944 27.2-119.8-113.2 146.1 21.4 8.3 7.6 4 9 A K E -A 10 0A 128 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.729 29.6-141.9 -87.0 122.4 23.5 8.9 10.8 5 10 A L > - 0 0 4 4,-3.1 3,-2.0 -2,-0.5 189,-0.1 -0.374 27.5-102.5 -82.0 166.8 21.3 9.5 13.8 6 11 A N T 3 S+ 0 0 45 187,-0.4 162,-0.1 1,-0.3 -1,-0.1 0.522 120.9 55.8 -73.9 -1.4 22.2 12.0 16.5 7 12 A D T 3 S- 0 0 43 2,-0.2 -1,-0.3 160,-0.1 3,-0.1 0.272 121.2-102.3-105.6 6.6 23.3 9.1 18.8 8 13 A G S < S+ 0 0 35 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.281 85.0 119.6 92.3 -8.2 25.8 7.7 16.3 9 14 A H - 0 0 72 135,-0.1 -4,-3.1 -5,-0.1 2,-0.4 -0.416 60.2-123.3 -84.6 164.1 23.7 4.8 15.1 10 15 A F E -A 4 0A 121 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.900 17.9-162.2-115.6 141.7 22.7 4.5 11.5 11 16 A M E -A 3 0A 0 -8,-2.9 -8,-2.7 -2,-0.4 32,-0.1 -0.975 24.8-120.5-121.2 125.7 19.1 4.2 10.1 12 17 A P E -A 2 0A 18 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.410 20.8-135.5 -64.7 139.5 18.4 3.0 6.5 13 18 A V S S+ 0 0 25 -12,-2.5 237,-2.6 236,-0.1 2,-0.5 0.607 88.7 57.4 -77.7 -15.3 16.5 5.7 4.6 14 19 A L E S-b 250 0B 8 -13,-0.4 28,-0.6 235,-0.2 29,-0.6 -0.985 72.8-172.4-113.4 125.7 13.8 3.4 3.1 15 20 A G E -bc 251 43B 0 235,-2.9 237,-1.8 -2,-0.5 2,-0.5 -0.889 22.9-123.9-118.3 151.5 11.8 1.4 5.6 16 21 A F E -bc 252 44B 0 27,-3.0 29,-2.8 -2,-0.3 2,-0.5 -0.816 22.0-141.3 -93.3 125.7 9.2 -1.3 5.2 17 22 A G E -bc 253 45B 9 235,-2.1 237,-0.6 -2,-0.5 29,-0.1 -0.734 16.1-173.2 -88.4 134.8 5.8 -0.6 6.7 18 23 A T + 0 0 0 27,-1.6 -1,-0.1 -2,-0.5 2,-0.1 0.499 40.4 117.8-108.5 -5.9 4.3 -3.7 8.3 19 24 A Y + 0 0 47 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.379 29.5 163.2 -69.4 133.2 0.8 -2.6 9.4 20 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.1 -2,-0.0 -0.977 40.9-103.5-142.7 144.7 -2.2 -4.4 7.8 21 26 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 29,-0.0 -0.214 40.3 -96.8 -64.6 163.3 -5.8 -4.3 9.1 22 27 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.706 117.3 70.5 -55.0 -26.0 -7.3 -7.3 11.0 23 28 A E T 3 S+ 0 0 149 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.575 84.3 81.2 -72.1 -5.9 -9.0 -8.7 7.9 24 29 A V S < S- 0 0 37 -3,-2.4 5,-0.1 2,-0.0 -4,-0.1 -0.892 96.8-111.4 -99.0 123.2 -5.6 -9.6 6.6 25 30 A P > - 0 0 77 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.211 18.9-122.2 -58.7 140.4 -4.4 -12.9 8.2 26 31 A R T >> S+ 0 0 64 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.761 108.0 69.4 -47.0 -31.9 -1.6 -12.6 10.6 27 32 A S H 3> S+ 0 0 77 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.777 85.2 67.3 -64.8 -30.6 0.4 -15.0 8.5 28 33 A K H <> S+ 0 0 83 -3,-2.0 4,-3.1 1,-0.2 5,-0.3 0.884 90.9 61.9 -56.2 -38.9 0.7 -12.5 5.7 29 34 A A H <> S+ 0 0 2 -3,-1.0 4,-1.9 -4,-0.5 5,-0.2 0.877 105.6 48.3 -59.2 -35.3 3.1 -10.2 7.8 30 35 A L H X S+ 0 0 41 -4,-0.7 4,-2.0 -3,-0.4 -1,-0.2 0.956 113.8 45.6 -65.1 -48.7 5.6 -13.1 8.0 31 36 A E H X S+ 0 0 91 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.922 116.7 42.6 -62.5 -48.8 5.4 -13.7 4.3 32 37 A V H X S+ 0 0 1 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.830 109.9 56.0 -75.1 -26.9 5.7 -10.1 3.2 33 38 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.906 109.1 48.2 -70.1 -40.1 8.4 -9.2 5.7 34 39 A K H X S+ 0 0 65 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.939 111.4 49.7 -59.2 -46.8 10.5 -11.9 4.3 35 40 A L H X S+ 0 0 20 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.889 109.3 53.6 -60.7 -38.1 9.8 -10.7 0.7 36 41 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-1.2 0.942 109.7 45.6 -60.6 -44.4 10.8 -7.1 1.8 37 42 A I H ><5S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.931 112.6 52.6 -67.9 -39.8 14.1 -8.2 3.2 38 43 A E H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 107.1 52.5 -57.8 -41.9 14.6 -10.3 -0.0 39 44 A A H 3<5S- 0 0 18 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.727 131.3 -92.8 -67.6 -23.8 13.9 -7.2 -2.1 40 45 A G T <<5S+ 0 0 38 -4,-1.2 -3,-0.2 -3,-0.6 2,-0.2 0.367 75.0 143.7 124.6 0.1 16.5 -5.2 -0.2 41 46 A F < + 0 0 3 -5,-2.6 -1,-0.3 -6,-0.2 -26,-0.1 -0.525 15.4 171.0 -66.4 143.6 14.6 -3.5 2.6 42 47 A R + 0 0 83 -28,-0.6 33,-3.2 -2,-0.2 2,-0.4 0.393 59.9 71.2-130.4 -8.6 16.7 -3.3 5.8 43 48 A H E -cd 15 75B 1 -29,-0.6 -27,-3.0 31,-0.2 2,-0.4 -0.969 62.7-173.1-111.6 130.6 14.6 -1.0 8.0 44 49 A I E -cd 16 76B 0 31,-2.7 33,-2.4 -2,-0.4 2,-0.6 -0.995 9.1-153.7-131.2 120.8 11.3 -2.7 9.2 45 50 A D E +cd 17 77B 5 -29,-2.8 -27,-1.6 -2,-0.4 2,-0.2 -0.874 29.1 145.3-103.0 122.1 8.7 -0.6 11.0 46 51 A S - 0 0 0 31,-2.0 2,-0.3 -2,-0.6 3,-0.1 -0.620 21.9-164.8-135.4-165.7 6.4 -2.3 13.5 47 52 A A > > - 0 0 0 31,-0.2 3,-0.8 -2,-0.2 5,-0.5 -0.930 38.9-105.5-175.1 158.2 4.6 -1.5 16.9 48 53 A H G > 5S+ 0 0 80 31,-1.5 3,-1.5 -2,-0.3 5,-0.2 0.920 118.2 60.8 -62.1 -38.5 2.8 -3.2 19.7 49 54 A L G 3 5S+ 0 0 78 30,-0.3 -1,-0.2 1,-0.3 31,-0.0 0.792 91.8 66.6 -55.0 -31.0 -0.4 -1.8 18.3 50 55 A Y G < 5S- 0 0 31 -3,-0.8 -30,-0.3 1,-0.1 -1,-0.3 0.619 90.4-141.9 -76.2 -15.1 -0.0 -3.7 15.0 51 56 A N T < 5S+ 0 0 120 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.876 77.0 94.8 59.7 40.9 -0.4 -7.2 16.5 52 57 A N >< + 0 0 1 -5,-0.5 4,-2.9 2,-0.1 5,-0.3 0.235 37.5 109.5-140.9 7.7 2.3 -8.6 14.2 53 58 A E H > S+ 0 0 8 -6,-0.2 4,-2.6 1,-0.2 5,-0.3 0.874 79.1 56.1 -64.0 -32.7 5.5 -8.4 16.1 54 59 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 114.4 38.5 -57.9 -48.0 5.6 -12.2 16.5 55 60 A Q H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.872 116.7 50.3 -69.4 -42.8 5.4 -12.7 12.7 56 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.922 112.8 46.5 -66.1 -42.3 7.7 -9.7 11.9 57 62 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.917 111.5 51.9 -65.0 -39.8 10.3 -10.9 14.3 58 63 A L H X S+ 0 0 72 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.900 108.0 52.3 -62.1 -41.0 10.0 -14.5 13.0 59 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 111.5 46.3 -58.0 -44.7 10.6 -13.1 9.4 60 65 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.960 115.5 46.2 -65.4 -46.6 13.7 -11.2 10.6 61 66 A R H X S+ 0 0 83 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.859 109.6 54.7 -65.2 -36.0 15.0 -14.4 12.4 62 67 A S H X S+ 0 0 38 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.905 108.9 47.1 -61.0 -46.0 14.1 -16.5 9.4 63 68 A K H <>S+ 0 0 9 -4,-2.3 6,-1.8 2,-0.2 5,-0.9 0.738 112.7 49.8 -72.6 -21.1 16.3 -14.3 7.1 64 69 A I H ><5S+ 0 0 53 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.929 109.7 52.2 -75.1 -43.9 19.1 -14.4 9.6 65 70 A A H 3<5S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.1 0.775 107.5 50.3 -65.0 -30.7 18.9 -18.2 9.9 66 71 A D T 3<5S- 0 0 89 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 0.375 116.8-111.6 -94.2 8.6 19.1 -18.8 6.1 67 72 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.441 83.5 120.6 85.3 1.2 22.2 -16.5 5.9 68 73 A S S > - 0 0 124 -2,-0.3 3,-2.2 1,-0.1 4,-0.6 -0.817 35.8-108.3-104.3 159.6 22.9 -10.7 9.9 71 76 A R G >4 S+ 0 0 33 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.871 120.1 58.2 -55.5 -38.2 21.1 -9.0 12.8 72 77 A E G 34 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.671 99.1 60.3 -67.2 -13.5 23.3 -6.0 12.6 73 78 A D G <4 S+ 0 0 75 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.584 95.3 76.8 -86.5 -15.7 22.2 -5.5 9.0 74 79 A I << - 0 0 3 -3,-1.5 2,-0.6 -4,-0.6 -31,-0.2 -0.800 63.3-158.9-102.7 139.3 18.5 -5.1 10.1 75 80 A F E -d 43 0B 8 -33,-3.2 -31,-2.7 -2,-0.4 2,-0.4 -0.955 18.8-173.6-115.3 106.0 17.0 -1.9 11.6 76 81 A Y E -d 44 0B 0 -2,-0.6 32,-1.8 -33,-0.2 31,-1.6 -0.894 3.6-166.0-106.9 135.0 13.9 -2.9 13.5 77 82 A T E +de 45 108B 0 -33,-2.4 -31,-2.0 -2,-0.4 2,-0.3 -0.918 9.9 173.4-119.2 138.2 11.5 -0.4 15.1 78 83 A S E - e 0 109B 0 30,-2.1 32,-1.6 -2,-0.4 2,-0.4 -0.812 18.8-138.9-129.7 176.2 8.7 -0.9 17.6 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.5 -0.997 14.2-119.5-145.1 144.6 6.6 1.7 19.4 80 85 A L E - e 0 111B 0 30,-3.0 32,-2.1 -2,-0.4 33,-0.4 -0.684 36.4-129.4 -86.5 118.8 5.2 2.2 22.9 81 86 A W > - 0 0 49 -2,-0.5 3,-2.1 31,-0.1 36,-0.1 -0.363 21.3-109.5 -76.6 161.0 1.5 2.3 22.8 82 87 A S G > S+ 0 0 1 1,-0.3 35,-2.4 2,-0.2 3,-0.6 0.554 113.3 65.7 -78.1 -9.3 -0.3 5.2 24.5 83 88 A T G 3 S+ 0 0 35 1,-0.2 -1,-0.3 33,-0.2 3,-0.2 0.486 100.3 55.9 -80.1 -6.4 -1.8 3.1 27.3 84 89 A F G < + 0 0 57 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.049 68.6 111.7-117.2 26.8 1.8 2.5 28.5 85 90 A H < + 0 0 2 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.751 45.1 103.0 -70.2 -26.5 3.0 6.1 28.9 86 91 A R S >> S- 0 0 95 -3,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.440 84.4-122.1 -62.6 134.5 3.2 6.0 32.7 87 92 A P H >> S+ 0 0 48 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.826 108.1 58.4 -55.0 -34.2 7.0 5.6 33.3 88 93 A E H 34 S+ 0 0 127 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.658 106.3 50.9 -70.0 -16.1 6.8 2.3 35.3 89 94 A L H <> S+ 0 0 51 -3,-2.4 4,-1.8 -5,-0.1 -1,-0.3 0.527 90.7 79.6 -92.4 -12.1 5.1 0.7 32.3 90 95 A V H S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.894 109.5 51.6 -62.0 -35.2 7.8 -3.8 30.6 93 98 A A H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 112.8 45.5 -65.3 -41.5 6.0 -2.8 27.3 94 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.928 111.6 51.4 -70.2 -42.2 9.4 -2.8 25.5 95 100 A E H X S+ 0 0 76 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.908 109.7 52.2 -61.2 -37.0 10.4 -6.1 27.1 96 101 A N H X S+ 0 0 92 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.909 107.8 48.8 -62.1 -45.3 7.1 -7.5 26.0 97 102 A S H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 111.4 51.5 -59.2 -40.1 7.5 -6.4 22.3 98 103 A L H X>S+ 0 0 11 -4,-2.5 5,-1.6 1,-0.2 4,-1.2 0.897 109.5 50.2 -65.5 -40.1 11.1 -8.0 22.4 99 104 A K H <5S+ 0 0 57 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.919 109.9 49.6 -66.3 -42.0 9.6 -11.3 23.7 100 105 A K H <5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.924 118.5 38.8 -55.7 -48.6 6.9 -11.3 21.0 101 106 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.620 103.1-133.7 -77.5 -11.8 9.6 -10.7 18.3 102 107 A Q T <5 + 0 0 130 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.878 59.8 136.4 50.9 47.0 12.1 -13.0 20.1 103 108 A L < - 0 0 15 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.812 59.4-136.9-117.1 150.3 14.8 -10.3 19.6 104 109 A D S S- 0 0 147 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.725 85.0 -1.7 -76.8 -24.2 17.4 -9.1 22.1 105 110 A Y - 0 0 39 -7,-0.1 2,-0.3 38,-0.0 -1,-0.2 -0.977 63.6-125.7-158.0 155.7 17.0 -5.5 21.2 106 111 A V E - f 0 143B 0 36,-2.3 38,-2.2 -2,-0.3 39,-0.3 -0.850 18.2-138.2 -96.9 147.7 15.1 -3.1 18.9 107 112 A D E S+ 0 0 18 -31,-1.6 38,-1.4 -2,-0.3 2,-0.3 0.832 90.9 16.1 -68.3 -30.1 17.2 -0.7 16.8 108 113 A L E -ef 77 145B 1 -32,-1.8 -30,-2.1 36,-0.2 2,-0.4 -0.997 60.4-170.8-148.2 132.1 14.6 2.0 17.6 109 114 A Y E -ef 78 146B 1 36,-1.6 38,-2.2 -2,-0.3 2,-0.4 -0.999 17.2-169.7-124.4 130.9 11.8 2.4 20.1 110 115 A L E -ef 79 147B 0 -32,-1.6 -30,-3.0 -2,-0.4 2,-0.7 -0.888 33.9-116.9-117.4 147.5 9.3 5.3 19.7 111 116 A I E -ef 80 148B 0 36,-1.8 38,-1.2 -2,-0.4 -30,-0.1 -0.761 36.2-146.3 -71.4 116.8 6.7 6.9 21.8 112 117 A H - 0 0 15 -32,-2.1 -1,-0.2 -2,-0.7 -31,-0.1 0.850 67.8 -9.4 -64.9 -32.9 3.9 6.0 19.3 113 118 A S - 0 0 5 -33,-0.4 -1,-0.2 -3,-0.1 37,-0.2 -0.990 54.9-126.3-162.4 151.0 1.8 9.1 20.0 114 119 A P S S+ 0 0 1 0, 0.0 2,-1.3 0, 0.0 13,-0.1 0.457 84.0 101.2 -75.9 -0.7 1.7 12.1 22.5 115 120 A M - 0 0 17 183,-0.1 -33,-0.1 9,-0.1 9,-0.1 -0.649 66.8-150.6 -95.1 91.5 -2.0 11.2 23.2 116 121 A S - 0 0 2 -2,-1.3 7,-1.6 7,-0.2 2,-0.3 -0.214 11.9-163.2 -67.2 144.6 -2.0 9.4 26.6 117 122 A L B -J 122 0C 46 -35,-2.4 -32,-0.3 5,-0.3 5,-0.3 -0.919 36.2 -78.1-128.7 149.8 -4.7 6.8 27.2 118 123 A K 0 0 43 3,-2.8 5,-0.1 -2,-0.3 -1,-0.0 -0.209 360.0 360.0 -49.2 127.1 -6.0 5.1 30.4 119 124 A P 0 0 97 0, 0.0 -35,-0.1 0, 0.0 -1,-0.1 -0.340 360.0 360.0 -61.9 360.0 -3.5 2.3 31.4 120 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 121 138 A I 0 0 110 0, 0.0 -3,-2.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 115.6 -10.7 7.3 28.3 122 139 A F B -J 117 0C 92 -5,-0.3 2,-0.3 -4,-0.0 -5,-0.3 -0.372 360.0-151.6 -79.3 165.3 -7.8 9.8 28.1 123 140 A D - 0 0 24 -7,-1.6 2,-0.5 -5,-0.1 -7,-0.2 -0.893 11.5-133.7-131.5 159.6 -4.9 9.9 30.7 124 141 A I + 0 0 155 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.1 -0.977 36.9 162.7-115.1 114.4 -2.8 12.9 31.8 125 142 A V - 0 0 24 -2,-0.5 2,-1.0 -39,-0.0 -9,-0.1 -0.988 44.5-119.3-130.0 139.6 0.9 11.9 31.9 126 143 A D >> - 0 0 99 -2,-0.4 3,-1.7 1,-0.2 4,-1.3 -0.695 24.5-158.4 -72.7 104.7 4.0 14.0 32.0 127 144 A L H 3> S+ 0 0 27 -2,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.639 87.5 69.4 -66.2 -15.6 5.7 12.8 28.8 128 145 A C H 3> S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.864 100.3 47.7 -64.1 -33.7 9.0 14.0 30.1 129 146 A T H <> S+ 0 0 38 -3,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.893 109.6 52.4 -73.5 -35.4 8.8 11.2 32.6 130 147 A T H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.922 109.7 51.1 -56.5 -41.7 7.9 8.8 29.8 131 148 A W H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.903 104.8 53.9 -66.1 -42.4 11.0 10.0 28.1 132 149 A E H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.904 108.7 51.2 -57.4 -39.2 13.2 9.5 31.1 133 150 A A H X S+ 0 0 11 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.860 108.5 51.2 -66.0 -37.8 11.9 5.9 31.1 134 151 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 3,-0.4 0.920 106.9 54.0 -61.3 -42.7 12.8 5.6 27.4 135 152 A E H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.926 104.5 54.1 -61.5 -42.2 16.3 6.9 28.2 136 153 A K H X S+ 0 0 138 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.859 105.4 54.7 -58.4 -32.1 16.7 4.1 30.8 137 154 A C H X>S+ 0 0 0 -4,-1.3 5,-1.8 -3,-0.4 6,-1.1 0.894 108.6 47.5 -72.1 -36.7 15.8 1.5 28.0 138 155 A K H ><5S+ 0 0 33 -4,-1.8 3,-0.8 4,-0.2 -1,-0.2 0.903 111.0 52.0 -66.5 -41.5 18.5 2.8 25.8 139 156 A D H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.847 109.0 50.7 -63.3 -31.2 21.0 2.7 28.8 140 157 A A H 3<5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.606 115.6-114.9 -80.5 -7.6 20.0 -0.9 29.4 141 158 A G T <<5S+ 0 0 33 -3,-0.8 -3,-0.2 -4,-0.6 3,-0.1 0.558 84.6 119.2 84.6 9.6 20.6 -2.0 25.8 142 159 A L S - 0 0 18 -2,-0.4 4,-2.8 -3,-0.1 5,-0.2 -0.398 36.2 -89.7 -85.9-177.8 4.3 18.5 16.9 153 170 A R H > S+ 0 0 133 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 127.0 48.0 -58.6 -47.4 6.9 21.2 17.2 154 171 A R H > S+ 0 0 52 150,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.932 113.2 47.3 -65.6 -37.6 5.8 22.2 20.7 155 172 A Q H > S+ 0 0 19 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.892 111.7 50.5 -69.7 -39.1 5.6 18.7 22.0 156 173 A L H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.930 108.3 53.4 -62.3 -42.3 9.1 17.9 20.6 157 174 A E H 3X S+ 0 0 60 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.840 98.6 64.7 -63.0 -31.5 10.4 21.1 22.3 158 175 A M H 3< S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.2 38.3 -57.0 -45.7 9.1 19.9 25.6 159 176 A I H X< S+ 0 0 2 -4,-1.1 3,-1.5 -3,-0.6 -1,-0.2 0.897 114.6 53.3 -65.3 -49.9 11.4 17.0 25.5 160 177 A L H 3< S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.819 112.8 45.9 -59.1 -30.8 14.3 18.9 24.0 161 178 A N T 3< S+ 0 0 125 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.369 82.4 129.2 -92.4 0.8 14.0 21.5 26.8 162 179 A K X - 0 0 18 -3,-1.5 3,-1.7 -4,-0.1 -3,-0.1 -0.361 68.2-108.0 -61.9 123.7 13.7 19.0 29.7 163 180 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.295 102.6 9.4 -48.9 127.8 16.1 19.6 32.6 164 181 A G T 3 S+ 0 0 74 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.739 84.1 179.9 73.2 24.8 18.8 17.0 32.6 165 182 A L < - 0 0 46 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.318 10.4-174.2 -50.9 130.1 17.9 15.5 29.2 166 183 A K + 0 0 123 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.839 66.1 21.3 -97.9 -44.3 20.3 12.6 28.5 167 184 A Y - 0 0 58 -160,-0.0 -1,-0.3 0, 0.0 -32,-0.1 -0.995 69.8-138.6-129.6 124.5 19.4 11.6 24.9 168 185 A K - 0 0 78 -2,-0.4 -22,-0.3 -3,-0.1 2,-0.1 -0.447 41.9 -93.5 -60.8 151.3 17.5 13.7 22.3 169 186 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.512 30.5-145.7 -58.5 138.9 14.9 11.8 20.2 170 187 A V S S+ 0 0 2 -24,-2.3 25,-2.6 1,-0.1 2,-0.3 0.692 74.0 1.4 -79.4 -19.6 16.7 10.6 17.1 171 188 A C E - h 0 195B 0 23,-0.3 -23,-2.1 -25,-0.2 2,-0.4 -0.968 53.7-139.1-157.2 165.2 13.6 11.0 15.0 172 189 A N E -gh 148 196B 0 23,-2.2 25,-1.9 -2,-0.3 2,-0.6 -0.947 23.4-153.3-133.6 111.2 10.0 12.1 14.9 173 190 A Q E +gh 149 197B 5 -25,-2.2 -23,-2.4 -2,-0.4 2,-0.3 -0.817 31.2 157.8 -91.6 120.6 7.9 9.7 12.8 174 191 A V E - h 0 198B 0 23,-2.6 25,-2.4 -2,-0.6 2,-0.3 -0.899 50.7 -80.5-140.6 166.6 4.9 11.6 11.4 175 192 A E E + h 0 199B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.540 61.1 160.6 -69.9 129.3 2.3 11.6 8.6 176 193 A C + 0 0 0 23,-2.3 5,-0.2 -2,-0.3 27,-0.1 -0.889 6.8 123.5-162.7 124.3 4.0 13.1 5.6 177 194 A H B > S-K 180 0D 0 3,-1.1 3,-2.0 -2,-0.3 24,-0.1 -0.894 74.7 -72.1-167.5 173.7 3.4 13.0 1.8 178 195 A P T 3 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 106,-0.1 0.778 130.0 53.0 -62.5 -17.8 2.8 15.6 -0.9 179 196 A Y T 3 S+ 0 0 7 1,-0.3 107,-2.6 104,-0.2 105,-1.6 0.593 127.8 19.9 -86.8 -7.1 -0.6 16.6 0.4 180 197 A F B < S+K 177 0D 14 -3,-2.0 -3,-1.1 105,-0.2 -1,-0.3 -0.589 75.3 168.3-158.0 75.3 0.7 17.2 4.0 181 198 A N - 0 0 2 -3,-0.4 5,-0.1 -5,-0.2 -2,-0.1 0.586 32.9-142.2 -88.7 -5.8 4.5 17.7 3.5 182 199 A R > + 0 0 33 1,-0.1 4,-3.2 3,-0.1 5,-0.2 0.780 36.8 163.2 59.9 32.3 5.3 19.1 7.0 183 200 A S H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.850 70.6 44.5 -55.6 -49.1 7.8 21.6 5.6 184 201 A K H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 116.5 46.2 -65.3 -41.3 8.0 23.8 8.7 185 202 A L H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.880 110.9 53.6 -62.7 -42.1 8.3 20.8 11.1 186 203 A L H X S+ 0 0 6 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.947 109.1 49.5 -61.1 -45.4 10.9 19.2 8.8 187 204 A D H X S+ 0 0 100 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.6 49.7 -57.5 -43.8 13.0 22.4 9.0 188 205 A F H X S+ 0 0 9 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.948 111.2 48.5 -61.0 -46.3 12.7 22.4 12.7 189 206 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.5 0.929 110.7 51.8 -58.5 -46.9 13.8 18.8 13.0 190 207 A K H ><5S+ 0 0 110 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.910 104.0 57.4 -57.6 -40.5 16.7 19.5 10.6 191 208 A S H 3<5S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 114.0 39.9 -63.0 -16.1 17.8 22.4 12.9 192 209 A K T <<5S- 0 0 84 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.257 112.8-113.8-114.0 7.1 18.0 19.9 15.7 193 210 A D T < 5S+ 0 0 92 -3,-1.7 2,-0.5 -4,-0.3 -187,-0.4 0.881 70.8 141.1 53.0 40.6 19.6 17.0 13.9 194 211 A I < - 0 0 5 -5,-2.7 2,-0.3 -8,-0.1 -23,-0.3 -0.943 50.1-129.8-109.7 130.1 16.3 15.0 14.4 195 212 A V E -h 171 0B 12 -25,-2.6 -23,-2.2 -2,-0.5 2,-0.5 -0.610 10.2-140.8 -80.7 134.7 15.3 12.8 11.4 196 213 A L E -h 172 0B 2 51,-0.4 53,-2.3 -2,-0.3 2,-0.5 -0.868 15.8-162.1 -89.8 127.5 11.7 13.1 10.2 197 214 A V E -hi 173 249B 1 -25,-1.9 -23,-2.6 -2,-0.5 2,-0.5 -0.963 11.9-141.8-109.8 126.5 10.4 9.7 9.2 198 215 A A E -hi 174 250B 0 51,-2.8 53,-2.4 -2,-0.5 3,-0.3 -0.768 17.7-175.3 -93.0 129.4 7.3 9.8 6.9 199 216 A Y E S+h 175 0B 39 -25,-2.4 -23,-2.3 -2,-0.5 4,-0.1 -0.754 73.4 30.9-110.4 166.3 4.4 7.4 7.2 200 217 A S S > S+ 0 0 24 -2,-0.3 3,-1.7 -25,-0.2 -1,-0.2 0.827 73.8 150.2 51.8 35.5 1.4 7.3 4.8 201 218 A A T 3 S+ 0 0 1 50,-0.4 -1,-0.1 -3,-0.3 42,-0.1 0.660 70.2 50.5 -68.4 -18.6 4.0 8.5 2.3 202 219 A L T 3 S- 0 0 36 -25,-0.1 17,-0.4 49,-0.0 -1,-0.3 0.258 136.0 -86.1-102.1 9.6 1.9 6.7 -0.4 203 220 A G S < S- 0 0 2 -3,-1.7 15,-0.2 -27,-0.1 3,-0.2 0.538 71.2 -87.5 103.4 9.4 -1.3 8.3 0.8 204 221 A S - 0 0 22 1,-0.2 14,-0.1 2,-0.1 -29,-0.0 0.174 43.4 -80.8 77.6 165.5 -2.2 5.8 3.6 205 222 A Q - 0 0 78 2,-0.0 -1,-0.2 1,-0.0 6,-0.0 0.487 56.7-129.8 -81.0 1.0 -4.2 2.5 3.5 206 223 A R - 0 0 63 1,-0.2 2,-0.1 -3,-0.2 -2,-0.1 0.870 33.8-168.9 53.0 43.2 -7.4 4.7 3.6 207 224 A D >> - 0 0 26 1,-0.2 4,-2.7 2,-0.1 3,-1.6 -0.407 24.9-133.2 -69.3 131.8 -8.8 2.6 6.5 208 225 A K T 34 S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.678 100.1 70.7 -61.1 -21.2 -12.5 3.4 7.1 209 226 A R T 34 S+ 0 0 113 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.822 124.1 2.0 -64.4 -30.2 -11.9 3.6 10.8 210 227 A W T <4 S+ 0 0 56 -3,-1.6 80,-2.6 1,-0.1 2,-0.4 0.577 114.3 76.8-135.1 -11.5 -9.9 6.9 10.4 211 228 A V < - 0 0 7 -4,-2.7 -1,-0.1 78,-0.2 78,-0.1 -0.897 69.6-128.5-117.6 128.3 -9.8 8.1 6.8 212 229 A D > - 0 0 74 -2,-0.4 3,-2.3 76,-0.4 -4,-0.0 -0.612 14.4-144.7 -70.2 123.0 -12.6 9.8 4.8 213 230 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.733 98.8 65.2 -68.2 -15.2 -13.1 7.8 1.5 214 231 A N T 3 S+ 0 0 140 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.589 77.7 109.1 -73.4 -15.7 -13.9 11.2 -0.1 215 232 A S S < S- 0 0 15 -3,-2.3 -4,-0.0 1,-0.1 2,-0.0 -0.266 86.7 -87.7 -62.7 150.7 -10.3 12.4 0.6 216 233 A P - 0 0 43 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.372 37.4-121.6 -60.9 144.6 -8.1 12.7 -2.6 217 234 A V > - 0 0 50 1,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.762 20.3-151.9 -90.7 113.2 -6.3 9.6 -3.5 218 235 A L G > S+ 0 0 2 -2,-0.8 3,-2.0 1,-0.3 6,-0.2 0.858 90.1 56.3 -57.2 -44.3 -2.7 10.6 -3.5 219 236 A L G 3 S+ 0 0 57 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.523 104.4 55.1 -71.5 0.4 -1.4 8.1 -6.1 220 237 A E G < S+ 0 0 141 -3,-2.1 -1,-0.3 15,-0.1 -2,-0.2 0.298 75.7 133.9-109.6 7.8 -4.0 9.4 -8.6 221 238 A D <> - 0 0 6 -3,-2.0 4,-2.6 -4,-0.3 5,-0.2 -0.342 58.5-136.0 -60.0 129.9 -2.7 12.9 -8.3 222 239 A P H > S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.824 103.0 50.4 -59.7 -33.1 -2.2 14.4 -11.9 223 240 A V H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 112.3 46.0 -71.8 -46.4 1.2 16.0 -11.0 224 241 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 113.2 50.7 -61.8 -35.9 2.5 12.7 -9.6 225 242 A C H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.902 110.2 49.4 -67.5 -36.3 1.2 10.9 -12.6 226 243 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.868 111.7 48.5 -69.7 -42.2 2.8 13.4 -15.0 227 244 A L H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.883 109.5 52.7 -64.5 -37.7 6.1 13.0 -13.2 228 245 A A H X>S+ 0 0 7 -4,-2.3 5,-2.4 2,-0.2 4,-0.7 0.872 111.5 47.0 -64.9 -36.6 5.9 9.2 -13.3 229 246 A K H <5S+ 0 0 66 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.920 111.5 50.9 -69.3 -43.2 5.3 9.4 -17.1 230 247 A K H <5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 121.0 33.4 -58.2 -44.8 8.2 11.8 -17.5 231 248 A H H <5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.477 105.2-125.0 -88.7 -4.5 10.6 9.5 -15.6 232 249 A K T <5S+ 0 0 182 -4,-0.7 -3,-0.2 -3,-0.5 2,-0.1 0.935 78.5 108.1 49.4 49.6 8.9 6.2 -16.8 233 250 A R S - 0 0 34 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.951 29.0-109.3-134.9 159.8 5.2 5.1 -11.1 235 252 A P H > S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.866 119.8 55.3 -58.7 -39.1 3.4 7.7 -8.9 236 253 A A H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 107.2 49.4 -58.8 -45.4 4.4 5.7 -5.8 237 254 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 110.1 51.1 -62.2 -37.1 8.1 5.9 -6.8 238 255 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.912 109.9 50.1 -61.2 -46.7 7.8 9.6 -7.3 239 256 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.864 113.8 44.4 -65.0 -35.0 6.2 10.0 -3.9 240 257 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.899 112.5 51.0 -70.9 -43.7 9.0 8.0 -2.2 241 258 A R H X S+ 0 0 40 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.891 102.4 60.9 -65.3 -38.5 11.8 9.7 -4.1 242 259 A Y H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.917 106.0 48.5 -48.5 -46.9 10.4 13.1 -3.2 243 260 A Q H ><>S+ 0 0 0 -4,-1.0 5,-2.2 1,-0.2 3,-0.7 0.942 108.6 51.8 -62.8 -46.4 10.9 12.3 0.5 244 261 A L H ><5S+ 0 0 27 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.922 108.4 51.2 -60.4 -37.1 14.5 11.0 0.1 245 262 A Q H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.7 56.3 -74.1 -19.3 15.5 14.2 -1.7 246 263 A R T <<5S- 0 0 20 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.363 121.4-107.8 -81.7 -6.5 14.0 16.3 1.2 247 264 A G T < 5S+ 0 0 52 -3,-1.5 -51,-0.4 -4,-0.3 2,-0.4 0.660 77.0 138.2 82.2 18.8 16.3 14.5 3.6 248 265 A V < - 0 0 2 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.746 54.7-130.7 -95.5 136.8 13.2 12.6 5.0 249 266 A V E - i 0 197B 2 -53,-2.3 -51,-2.8 -2,-0.4 2,-0.4 -0.783 33.0-149.0 -83.6 137.0 13.5 8.8 5.8 250 267 A V E -bi 14 198B 0 -237,-2.6 -235,-2.9 -2,-0.4 2,-0.3 -0.903 14.6-156.2-124.8 134.7 10.5 7.2 4.2 251 268 A L E -b 15 0B 9 -53,-2.4 -50,-0.4 -2,-0.4 2,-0.3 -0.695 9.0-170.5 -92.5 154.4 8.4 4.1 5.0 252 269 A A E -b 16 0B 2 -237,-1.8 -235,-2.1 -2,-0.3 2,-0.5 -0.922 7.3-156.5-146.6 119.6 6.4 2.2 2.4 253 270 A K E +b 17 0B 74 -2,-0.3 2,-0.3 -237,-0.2 -235,-0.1 -0.821 24.1 155.6 -90.4 132.0 3.9 -0.5 3.2 254 271 A S - 0 0 9 -237,-0.6 -218,-0.1 -2,-0.5 -2,-0.1 -0.919 26.9-175.8-150.0 136.0 3.1 -3.1 0.6 255 272 A Y + 0 0 41 -2,-0.3 2,-0.5 5,-0.0 -222,-0.0 0.146 65.8 96.4-104.0 19.3 1.7 -6.6 1.1 256 273 A N S > S- 0 0 53 1,-0.1 4,-2.8 -224,-0.0 5,-0.2 -0.934 71.8-140.9-117.2 124.0 2.0 -7.3 -2.7 257 274 A E H > S+ 0 0 94 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.854 100.0 48.1 -54.1 -44.5 5.1 -9.0 -4.0 258 275 A Q H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 114.2 45.0 -64.9 -42.3 5.4 -6.9 -7.2 259 276 A R H > S+ 0 0 137 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.887 107.8 57.8 -75.5 -32.1 5.0 -3.6 -5.4 260 277 A I H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.968 112.5 41.6 -56.3 -46.9 7.4 -4.6 -2.6 261 278 A R H < S+ 0 0 108 -4,-1.9 3,-0.4 -5,-0.2 4,-0.2 0.869 112.9 53.9 -70.3 -31.5 10.1 -5.1 -5.3 262 279 A Q H >< S+ 0 0 47 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.904 98.6 65.6 -67.7 -37.9 9.1 -2.0 -7.2 263 280 A N H >< S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.822 90.8 60.3 -63.4 -28.8 9.5 0.2 -4.1 264 281 A V G >< S+ 0 0 30 -4,-0.8 3,-1.4 -3,-0.4 -1,-0.3 0.635 84.1 82.5 -74.2 -7.0 13.3 -0.3 -3.8 265 282 A Q G X + 0 0 60 -3,-2.1 3,-2.4 1,-0.3 4,-0.3 0.553 62.5 94.9 -67.4 -8.6 13.7 1.2 -7.2 266 283 A V G X S+ 0 0 0 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.800 79.4 55.9 -55.6 -24.6 13.5 4.5 -5.4 267 284 A F G < S+ 0 0 97 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.523 93.4 73.2 -84.9 -1.7 17.3 4.5 -5.4 268 285 A E G < S+ 0 0 118 -3,-2.4 2,-0.3 -4,-0.0 -1,-0.2 0.489 100.3 21.9 -95.4 -4.6 17.5 4.1 -9.2 269 286 A F < - 0 0 26 -3,-0.6 2,-0.3 -4,-0.3 -38,-0.0 -0.918 64.3-139.1-149.9 175.8 16.5 7.6 -10.4 270 287 A Q - 0 0 138 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.964 12.1-126.5-145.5 154.4 16.3 11.2 -9.2 271 288 A L - 0 0 5 -2,-0.3 2,-0.1 -30,-0.1 -44,-0.0 -0.753 25.1-127.3 -96.5 144.9 14.1 14.2 -9.5 272 289 A T > - 0 0 63 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.358 32.0-100.2 -85.1 172.5 15.2 17.6 -10.7 273 290 A A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.894 125.5 52.0 -59.9 -39.9 14.6 20.9 -8.8 274 291 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 108.6 50.2 -64.0 -40.8 11.6 21.7 -11.1 275 292 A D H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 110.9 49.2 -59.8 -47.7 10.1 18.3 -10.3 276 293 A M H X S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.900 109.5 51.2 -63.7 -33.4 10.6 18.9 -6.6 277 294 A K H X S+ 0 0 166 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.906 108.3 53.1 -67.4 -42.3 8.9 22.3 -6.8 278 295 A A H < S+ 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.4 43.9 -59.5 -41.0 5.9 20.8 -8.7 279 296 A I H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 4,-0.3 0.931 109.8 56.2 -71.9 -41.3 5.5 18.2 -5.8 280 297 A D H >< S+ 0 0 69 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.807 98.3 64.3 -54.2 -28.7 6.0 20.9 -3.2 281 298 A G T 3< S+ 0 0 63 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.557 87.8 69.9 -73.5 -10.7 3.1 22.7 -4.8 282 299 A L T < + 0 0 11 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.563 66.7 126.5 -81.2 -11.3 0.7 19.9 -3.9 283 300 A D < + 0 0 73 -3,-1.1 -104,-0.2 -4,-0.3 -103,-0.2 -0.216 21.7 158.1 -58.2 129.6 0.8 20.7 -0.2 284 301 A R - 0 0 118 -105,-1.6 -104,-0.2 2,-0.1 -1,-0.1 0.150 59.9-104.5-145.9 23.3 -2.8 21.2 1.2 285 302 A N + 0 0 122 1,-0.2 2,-0.9 -106,-0.0 -105,-0.2 0.862 66.7 157.3 60.1 33.5 -2.7 20.6 4.9 286 303 A L - 0 0 37 -107,-2.6 2,-0.7 -71,-0.0 -1,-0.2 -0.737 24.0-177.9-102.2 101.6 -4.3 17.2 4.4 287 304 A H - 0 0 37 -2,-0.9 -107,-0.0 1,-0.2 15,-0.0 -0.794 16.0-155.6 -88.8 121.5 -3.9 14.6 7.1 288 305 A Y S S+ 0 0 3 -2,-0.7 2,-0.9 -88,-0.1 -76,-0.4 0.881 82.3 76.7 -63.6 -39.6 -5.6 11.4 6.0 289 306 A F + 0 0 48 -78,-0.1 2,-0.3 -3,-0.1 -78,-0.2 -0.649 60.4 148.3 -73.6 108.8 -5.9 10.3 9.7 290 307 A N + 0 0 96 -80,-2.6 2,-0.4 -2,-0.9 -1,-0.1 -0.716 15.5 142.1-149.3 82.9 -8.9 12.5 10.7 291 308 A S >> - 0 0 21 -2,-0.3 4,-2.6 1,-0.1 3,-1.8 -0.964 59.5-124.0-136.8 142.1 -11.1 11.0 13.3 292 309 A D H 3> S+ 0 0 145 -2,-0.4 4,-1.4 1,-0.3 5,-0.1 0.834 108.8 69.6 -46.0 -35.8 -13.1 12.0 16.3 293 310 A S H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 -83,-0.0 0.732 115.0 22.3 -67.9 -15.5 -11.1 9.4 18.2 294 311 A F H X4 S+ 0 0 52 -3,-1.8 3,-2.1 2,-0.1 -1,-0.2 0.734 115.4 64.3-105.5 -42.9 -7.9 11.5 18.0 295 312 A A H 3< S+ 0 0 44 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.659 99.0 53.1 -70.9 -16.2 -9.2 15.0 17.3 296 313 A S T 3< S+ 0 0 76 -4,-1.4 -1,-0.3 -5,-0.2 -3,-0.1 0.442 82.7 112.8 -94.3 -1.9 -10.9 15.4 20.7 297 314 A H S X S- 0 0 8 -3,-2.1 3,-1.9 1,-0.1 -3,-0.0 -0.513 73.0-129.7 -77.1 139.8 -7.8 14.4 22.7 298 315 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -183,-0.1 0.754 109.6 41.0 -60.0 -25.9 -6.3 17.3 24.8 299 316 A N T 3 S+ 0 0 68 -183,-0.1 -2,-0.1 -5,-0.1 -4,-0.1 0.049 77.1 149.8-109.6 20.9 -2.8 16.6 23.3 300 317 A Y X - 0 0 24 -3,-1.9 3,-1.3 1,-0.2 4,-0.2 -0.319 44.3-141.3 -46.8 127.7 -4.0 15.9 19.7 301 318 A P G > S+ 0 0 6 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.732 93.4 61.3 -76.9 -18.8 -0.9 17.1 17.7 302 319 A Y G 3 S+ 0 0 38 1,-0.2 -2,-0.1 -150,-0.1 -15,-0.0 0.410 70.1 95.7 -89.7 6.6 -2.8 18.7 14.9 303 320 A S G < 0 0 96 -3,-1.3 -1,-0.2 1,-0.2 -3,-0.1 0.653 360.0 360.0 -66.1 -19.4 -4.5 21.3 17.3 304 321 A D < 0 0 155 -3,-0.9 -150,-0.3 -4,-0.2 -1,-0.2 -0.574 360.0 360.0 95.6 360.0 -1.5 23.0 15.8