==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-AUG-12 4GO9 . COMPND 2 MOLECULE: SUCROSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR A.LIPSKI,S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 1109 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 724 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 55 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 4 7 3 2 1 0 2 4 2 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 7 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 PARALLEL BRIDGES PER LADDER . 10 4 0 6 1 3 0 2 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 . 6 2 0 2 0 0 2 0 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 3 A G 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.5 36.2 14.6 134.0 2 4 A A - 0 0 66 1,-0.1 5,-0.1 2,-0.0 474,-0.0 -0.751 360.0-117.6 -93.0 131.4 35.7 17.9 132.2 3 5 A P >> - 0 0 47 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.153 28.6-106.9 -59.7 157.4 35.7 18.0 128.4 4 6 A W G >4 S+ 0 0 53 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.788 115.2 62.8 -56.6 -31.5 38.4 20.0 126.5 5 7 A W G 34 S+ 0 0 27 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.675 89.5 66.0 -76.0 -16.7 35.9 22.8 125.6 6 8 A K G <4 S+ 0 0 45 -3,-1.4 351,-0.3 1,-0.2 -1,-0.2 0.790 113.0 33.1 -71.8 -26.4 35.1 23.8 129.2 7 9 A S S << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.281 99.1 111.3-111.3 8.1 38.7 25.1 129.6 8 10 A A - 0 0 3 -3,-0.3 2,-0.6 -4,-0.2 36,-0.1 -0.501 60.4-139.6 -83.4 150.3 39.1 26.2 126.0 9 11 A V - 0 0 0 34,-0.2 36,-1.8 -2,-0.2 37,-1.4 -0.957 24.1-156.9-108.7 116.0 39.4 29.8 124.9 10 12 A F E -ab 46 360A 1 349,-2.5 351,-2.5 -2,-0.6 2,-0.4 -0.601 8.1-157.7 -94.0 153.1 37.5 30.4 121.7 11 13 A Y E -ab 47 361A 0 35,-2.1 37,-1.9 349,-0.2 2,-0.7 -0.997 13.2-140.3-129.3 125.9 38.0 33.1 119.1 12 14 A Q E -ab 48 362A 2 349,-2.8 351,-1.8 -2,-0.4 2,-0.5 -0.786 16.1-164.9 -90.8 117.7 35.2 34.2 116.7 13 15 A V E -a 49 0A 0 35,-2.6 37,-1.7 -2,-0.7 3,-0.1 -0.886 12.1-161.5-101.0 126.7 36.3 34.8 113.2 14 16 A Y > - 0 0 2 -2,-0.5 3,-2.5 35,-0.2 4,-0.5 -0.843 13.2-162.4-101.5 90.2 33.9 36.7 110.8 15 17 A P G >> S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.740 81.8 64.2 -51.3 -33.4 35.7 35.6 107.6 16 18 A R G 34 S+ 0 0 27 1,-0.2 11,-2.7 44,-0.1 419,-0.2 0.804 117.9 26.0 -60.7 -29.8 34.0 38.4 105.5 17 19 A S G <4 S+ 0 0 0 -3,-2.5 402,-2.7 9,-0.2 -1,-0.2 0.221 106.0 80.0-120.9 13.4 35.8 41.0 107.5 18 20 A F T <4 S- 0 0 2 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.1 0.965 102.9 -17.2 -87.5 -66.9 39.0 39.2 108.8 19 21 A K < - 0 0 30 -4,-0.6 9,-2.2 9,-0.2 12,-0.4 -0.905 52.4-158.5-152.4 120.6 41.6 39.1 106.0 20 22 A D + 0 0 4 409,-2.2 7,-0.2 -2,-0.3 54,-0.0 -0.789 11.4 175.4 -98.4 136.4 41.3 39.6 102.2 21 23 A T S S+ 0 0 44 -2,-0.4 -1,-0.1 5,-0.4 6,-0.1 0.343 74.2 47.1-123.7 4.0 44.0 38.1 100.0 22 24 A N S S- 0 0 108 4,-0.3 408,-0.1 0, 0.0 5,-0.0 0.223 103.1-112.6-132.5 14.2 42.8 38.9 96.4 23 25 A G S S+ 0 0 23 1,-0.1 410,-0.5 409,-0.1 407,-0.1 0.574 80.6 121.2 71.5 13.2 41.8 42.5 96.6 24 26 A D S S- 0 0 70 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.513 83.6-115.3 -84.1 -4.1 38.1 42.1 96.1 25 27 A G S S+ 0 0 0 1,-0.2 410,-2.3 409,-0.1 2,-0.4 0.437 84.0 104.9 88.4 0.3 37.6 43.8 99.5 26 28 A I S S- 0 0 22 408,-0.2 -5,-0.4 409,-0.1 -4,-0.3 -0.941 72.7-117.1-117.7 134.3 36.1 40.6 101.1 27 29 A G - 0 0 0 -11,-2.7 -7,-0.3 -2,-0.4 2,-0.2 -0.240 38.4-177.1 -64.3 158.4 37.9 38.4 103.6 28 30 A D > - 0 0 7 -9,-2.2 4,-1.7 1,-0.1 -9,-0.2 -0.833 40.9 -88.7-148.9-179.6 38.5 34.8 102.5 29 31 A F H > S+ 0 0 2 45,-3.2 4,-2.9 -2,-0.2 5,-0.2 0.907 121.6 53.7 -66.3 -45.7 39.9 31.4 103.6 30 32 A K H > S+ 0 0 119 44,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.860 107.5 54.6 -56.2 -36.8 43.5 32.1 102.5 31 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.916 110.1 43.9 -63.7 -46.1 43.3 35.2 104.6 32 34 A L H >< S+ 0 0 2 -4,-1.7 3,-1.1 -13,-0.2 -2,-0.2 0.920 112.1 53.3 -63.8 -44.9 42.3 33.3 107.7 33 35 A T H >< S+ 0 0 25 -4,-2.9 3,-1.2 1,-0.3 4,-0.3 0.862 104.6 55.4 -61.4 -37.5 44.9 30.6 107.1 34 36 A E H 3< S+ 0 0 115 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.732 109.2 49.6 -64.1 -22.3 47.7 33.2 106.8 35 37 A K T S+ 0 0 0 -3,-1.2 4,-3.1 1,-0.2 5,-0.2 0.881 81.2 56.3 -64.1 -38.0 46.6 31.2 112.2 37 39 A D H > S+ 0 0 101 -4,-0.3 4,-2.8 -3,-0.3 -1,-0.2 0.888 106.3 51.4 -59.7 -40.2 50.1 32.0 113.6 38 40 A Y H > S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.941 113.5 43.3 -60.4 -48.9 48.8 35.3 114.9 39 41 A L H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-1.0 0.869 113.8 51.5 -67.1 -37.2 45.8 33.6 116.6 40 42 A K H ><5S+ 0 0 94 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.948 108.3 51.4 -63.0 -48.6 48.0 30.8 117.9 41 43 A G H 3<5S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.764 104.1 58.6 -58.9 -27.9 50.4 33.3 119.4 42 44 A L H 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.787 122.4-108.7 -71.1 -28.0 47.5 35.0 121.1 43 45 A G T <<5 + 0 0 20 -3,-1.1 2,-0.3 -4,-1.0 -34,-0.2 0.530 59.2 163.6 110.1 13.2 46.8 31.7 122.8 44 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.2 -34,-0.1 -0.461 19.4-176.5 -69.9 127.4 43.6 30.7 121.0 45 47 A D + 0 0 44 -36,-1.8 48,-1.8 1,-0.3 2,-0.3 0.804 67.7 12.8 -88.8 -35.6 42.6 27.0 121.3 46 48 A A E -ac 10 93A 0 -37,-1.4 -35,-2.1 46,-0.2 2,-0.5 -0.991 61.8-144.2-149.1 150.2 39.6 27.0 119.0 47 49 A I E -ac 11 94A 0 46,-2.7 48,-4.1 -2,-0.3 2,-0.6 -0.962 1.4-158.4-122.6 128.4 37.9 29.1 116.3 48 50 A W E -ac 12 95A 3 -37,-1.9 -35,-2.6 -2,-0.5 2,-0.4 -0.928 18.1-163.1 -96.8 121.0 34.3 29.6 115.5 49 51 A I E -a 13 0A 0 46,-2.6 48,-0.5 -2,-0.6 -35,-0.2 -0.880 18.6-121.6-102.6 138.1 33.8 30.8 112.0 50 52 A N - 0 0 2 -37,-1.7 47,-0.1 -2,-0.4 11,-0.1 -0.230 65.9 -45.5 -65.1 165.5 30.6 32.4 110.8 51 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.016 54.0 176.4 -46.9 136.6 28.9 30.6 107.8 52 54 A H + 0 0 0 45,-0.3 19,-3.4 -3,-0.1 2,-0.1 0.129 42.6 110.7-125.6 14.3 31.2 29.7 105.0 53 55 A Y E S-H 70 0B 3 17,-0.3 17,-0.3 8,-0.2 14,-0.2 -0.383 83.3 -65.1 -93.1 168.8 28.8 27.8 102.7 54 56 A A E S+H 66 0B 18 15,-1.9 11,-2.3 12,-1.1 12,-1.1 -0.292 70.3 159.7 -53.9 128.6 27.4 28.8 99.3 55 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.985 54.9-139.4-159.2 139.4 25.2 31.8 99.7 56 58 A P - 0 0 60 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.468 52.5-130.1 -73.8 -4.4 23.7 34.8 97.8 57 59 A N > + 0 0 25 6,-0.5 3,-0.6 1,-0.1 7,-0.1 0.786 62.4 142.3 60.1 35.5 24.7 36.8 100.9 58 60 A T T 3 S+ 0 0 34 1,-0.2 325,-0.3 5,-0.2 -1,-0.1 0.763 95.3 20.5 -70.8 -24.5 21.4 38.5 101.6 59 61 A D T > S- 0 0 9 106,-0.1 3,-1.7 4,-0.1 -1,-0.2 -0.166 121.3-101.6-132.9 39.0 22.4 37.9 105.2 60 62 A N T < S- 0 0 21 -3,-0.6 -44,-0.1 1,-0.3 -2,-0.0 0.852 96.1 -22.1 43.7 54.6 26.1 37.4 104.7 61 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.2 0.042 116.5 96.1 110.0 -24.9 26.2 33.6 104.9 62 64 A Y S < S+ 0 0 5 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.409 74.9 68.0 -85.4 4.2 23.0 33.0 106.8 63 65 A D S S- 0 0 0 -12,-0.0 2,-0.5 41,-0.0 -6,-0.5 -0.845 78.8-165.9-116.4 92.2 21.1 32.4 103.6 64 66 A I + 0 0 0 -2,-0.5 40,-2.6 38,-0.3 -9,-0.3 -0.684 22.9 179.1 -92.7 122.7 22.6 29.1 102.4 65 67 A S S S+ 0 0 29 -11,-2.3 43,-0.7 -2,-0.5 2,-0.2 0.625 81.4 16.0 -92.1 -17.5 22.0 27.9 98.8 66 68 A D E > -H 54 0B 61 -12,-1.1 -12,-1.1 3,-0.2 3,-0.9 -0.804 57.7-164.4-159.4 116.6 24.2 24.8 99.2 67 69 A Y E 3 S+ 0 0 5 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.594 91.1 52.7 -76.8 -13.4 25.3 23.2 102.4 68 70 A R E 3 S+ 0 0 96 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.284 100.5 70.2-109.1 9.6 28.0 21.0 100.8 69 71 A E E < S- 0 0 103 -3,-0.9 -15,-1.9 -15,-0.1 2,-0.2 -0.944 79.8-119.6-125.0 151.0 29.8 23.8 98.9 70 72 A V E -H 53 0B 13 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.566 41.4 -88.3 -89.3 149.7 31.9 26.6 100.2 71 73 A M >> - 0 0 0 -19,-3.4 4,-1.2 -2,-0.2 3,-0.8 -0.352 30.9-134.6 -60.9 130.4 31.1 30.3 99.7 72 74 A K T 34 S+ 0 0 84 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.853 103.8 56.8 -54.1 -39.9 32.6 31.5 96.4 73 75 A E T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -45,-0.1 -47,-0.1 0.861 106.9 47.9 -60.3 -38.1 33.8 34.7 98.1 74 76 A Y T <4 S- 0 0 3 -3,-0.8 -45,-3.2 1,-0.2 -44,-0.5 0.695 116.2-108.1 -83.1 -18.8 35.9 32.8 100.7 75 77 A G < - 0 0 23 -4,-1.2 -1,-0.2 -3,-0.4 2,-0.2 -0.976 47.8 -38.6 133.8-145.8 37.5 30.4 98.2 76 78 A T > - 0 0 76 -2,-0.4 4,-1.6 -3,-0.1 5,-0.1 -0.601 52.4-101.0-114.7 175.6 37.2 26.7 97.3 77 79 A M H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.861 124.4 57.8 -62.9 -35.7 36.7 23.5 99.2 78 80 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 103.3 52.5 -61.7 -37.5 40.5 22.9 98.9 79 81 A D H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 109.4 49.4 -65.0 -39.0 41.0 26.2 100.7 80 82 A F H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.923 111.1 48.6 -64.1 -45.6 38.7 25.0 103.4 81 83 A D H X S+ 0 0 69 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.891 111.0 50.5 -61.9 -40.9 40.7 21.7 103.7 82 84 A R H X S+ 0 0 102 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.899 109.7 51.0 -63.9 -40.8 43.9 23.6 103.8 83 85 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 111.2 48.7 -58.7 -47.2 42.5 25.7 106.5 84 86 A M H X S+ 0 0 30 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.920 113.2 46.6 -57.5 -47.9 41.5 22.6 108.4 85 87 A A H X S+ 0 0 47 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.887 111.6 50.2 -64.8 -41.2 45.0 21.0 107.9 86 88 A E H X S+ 0 0 38 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.808 109.6 51.6 -70.5 -29.8 46.8 24.2 109.0 87 89 A L H <>S+ 0 0 3 -4,-1.9 5,-3.5 -5,-0.2 3,-0.3 0.877 109.5 50.8 -68.6 -38.4 44.7 24.4 112.1 88 90 A K H ><5S+ 0 0 168 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.880 102.8 58.3 -69.1 -38.6 45.5 20.8 112.9 89 91 A K H 3<5S+ 0 0 154 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.9 44.1 -58.3 -30.7 49.3 21.4 112.5 90 92 A R T 3<5S- 0 0 52 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.310 117.9-113.8 -98.0 7.2 49.0 24.1 115.2 91 93 A G T < 5 + 0 0 54 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.782 69.8 143.0 65.8 28.8 46.8 21.8 117.4 92 94 A M < - 0 0 10 -5,-3.5 2,-0.3 -6,-0.1 -1,-0.2 -0.697 41.0-137.9-103.3 154.8 43.8 24.2 116.9 93 95 A R E -c 46 0A 97 -48,-1.8 -46,-2.7 -2,-0.3 2,-0.5 -0.816 7.5-138.4-115.2 151.5 40.2 23.3 116.5 94 96 A L E -c 47 0A 5 -2,-0.3 100,-1.7 97,-0.3 99,-1.3 -0.921 9.1-167.5-114.3 129.1 37.4 24.6 114.2 95 97 A M E -cd 48 194A 0 -48,-4.1 -46,-2.6 -2,-0.5 100,-0.3 -0.962 16.0-158.4-108.9 123.0 33.8 25.3 115.1 96 98 A V E - d 0 195A 0 98,-2.7 100,-3.0 -2,-0.5 2,-0.4 -0.617 19.7-110.8 -99.0 161.2 31.5 25.9 112.1 97 99 A D E - d 0 196A 0 -48,-0.5 2,-0.6 -2,-0.2 -45,-0.3 -0.754 25.9-156.0 -91.0 131.7 28.2 27.7 111.9 98 100 A V E - d 0 197A 4 98,-3.7 100,-2.4 -2,-0.4 2,-0.7 -0.933 10.3-176.2-114.4 115.0 25.2 25.6 111.3 99 101 A V + 0 0 0 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.784 29.3 135.7-113.3 87.1 22.2 27.3 109.8 100 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.159 50.9 81.9-125.0 17.7 19.3 24.9 109.6 101 103 A N S S- 0 0 0 1,-0.3 68,-2.0 97,-0.2 2,-0.3 0.732 113.6 -1.1 -79.2 -26.8 16.3 26.9 110.8 102 104 A H B -I 168 0C 1 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.975 64.2-150.6-155.8 160.9 16.2 28.2 107.3 103 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.741 39.4 -81.5-123.9 176.9 17.9 28.0 103.9 104 106 A S > - 0 0 0 -40,-2.6 3,-1.1 -2,-0.2 6,-0.3 -0.418 33.8-123.3 -70.5 157.3 18.4 30.5 101.0 105 107 A D T 3 S+ 0 0 15 60,-1.0 -1,-0.1 1,-0.2 61,-0.1 0.553 113.7 63.6 -76.6 -6.0 15.5 30.8 98.6 106 108 A Q T 3 S+ 0 0 83 59,-0.3 -1,-0.2 4,-0.1 2,-0.2 0.375 75.5 114.6 -96.8 0.9 18.1 29.8 96.0 107 109 A H S X> S- 0 0 13 -3,-1.1 4,-2.0 -43,-0.2 3,-0.9 -0.496 77.1-123.1 -68.9 142.9 18.7 26.4 97.5 108 110 A E H 3> S+ 0 0 115 -43,-0.7 4,-2.1 1,-0.3 5,-0.2 0.783 110.5 62.2 -60.9 -28.5 17.6 23.6 95.2 109 111 A W H 3> S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.892 109.3 40.6 -60.8 -40.6 15.3 22.3 97.9 110 112 A F H <> S+ 0 0 0 -3,-0.9 4,-2.7 -6,-0.3 -2,-0.2 0.829 110.1 56.4 -81.6 -34.4 13.3 25.5 97.7 111 113 A K H X S+ 0 0 91 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.923 115.7 39.5 -58.9 -44.9 13.4 25.9 93.9 112 114 A S H >X S+ 0 0 41 -4,-2.1 3,-0.8 -5,-0.2 4,-0.5 0.915 114.5 54.9 -67.7 -44.8 11.8 22.5 93.7 113 115 A S H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 6,-0.2 0.885 109.9 44.1 -57.7 -44.4 9.5 23.2 96.7 114 116 A R H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.597 94.8 81.0 -79.8 -11.5 8.0 26.3 95.2 115 117 A A H << S- 0 0 62 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.776 107.1 -13.6 -70.7 -28.7 7.5 24.9 91.7 116 118 A S << - 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0 0 13 -2,-0.3 3,-1.2 4,-0.3 39,-0.0 -0.879 58.0 -76.3-153.4-169.4 29.9 39.0 118.3 324 326 A H T 3 S+ 0 0 0 -2,-0.3 91,-0.2 1,-0.2 92,-0.1 0.520 124.2 51.1 -74.6 -5.1 29.0 39.7 114.6 325 327 A D T 3 S+ 0 0 19 2,-0.1 -1,-0.2 90,-0.1 88,-0.1 0.224 103.3 64.4-116.3 13.8 25.6 41.1 115.5 326 328 A N S < S- 0 0 1 -3,-1.2 -3,-0.1 86,-0.3 3,-0.1 -0.910 84.3 -88.8-140.3 158.3 26.4 43.6 118.2 327 329 A P - 0 0 4 0, 0.0 -4,-0.3 0, 0.0 -2,-0.1 -0.240 67.3 -75.4 -59.1 159.1 28.3 46.9 118.9 328 330 A R > - 0 0 2 1,-0.1 4,-2.5 -6,-0.1 3,-0.4 -0.288 40.1-121.7 -62.0 140.7 31.9 46.6 119.9 329 331 A A H >>S+ 0 0 5 1,-0.2 4,-3.4 2,-0.2 5,-0.8 0.881 110.5 47.2 -50.2 -49.5 32.6 45.4 123.5 330 332 A V H >5S+ 0 0 4 39,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.845 116.2 44.6 -67.7 -32.5 34.6 48.4 124.6 331 333 A S H 45S+ 0 0 24 -3,-0.4 -1,-0.2 38,-0.3 -2,-0.2 0.835 121.0 41.2 -75.1 -32.6 32.0 50.8 123.1 332 334 A H H <5S+ 0 0 27 -4,-2.5 -2,-0.2 -11,-0.1 -3,-0.2 0.889 133.8 14.1 -85.5 -45.2 29.1 48.8 124.6 333 335 A F H <5S+ 0 0 15 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.595 128.2 34.8-109.7 -17.1 30.4 47.9 128.0 334 336 A G S <> S- 0 0 119 1,-0.1 4,-2.2 3,-0.1 3,-1.9 -0.370 76.9-108.7 -58.6 144.3 36.8 57.6 124.5 338 340 A P T 34 S+ 0 0 118 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.776 116.7 47.1 -51.1 -37.4 40.5 58.0 123.5 339 341 A Q T 34 S+ 0 0 119 1,-0.2 4,-0.1 2,-0.1 -3,-0.1 0.612 124.8 30.1 -84.0 -11.7 41.7 58.5 127.1 340 342 A W T <> S+ 0 0 59 -3,-1.9 4,-2.7 2,-0.1 5,-0.3 0.487 92.9 93.8-120.4 -8.9 39.7 55.6 128.5 341 343 A R H X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -6,-0.2 0.905 90.3 39.7 -56.9 -51.2 39.6 53.1 125.6 342 344 A E H > S+ 0 0 88 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.911 116.7 49.8 -68.4 -42.9 42.6 51.0 126.4 343 345 A A H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.941 115.3 42.4 -61.3 -49.5 42.0 50.9 130.2 344 346 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 -9,-0.3 -1,-0.2 0.863 111.4 56.3 -67.3 -36.0 38.4 49.9 129.9 345 347 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.886 108.3 47.5 -61.6 -40.5 39.2 47.4 127.1 346 348 A K H X S+ 0 0 32 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.906 109.5 54.0 -66.0 -41.4 41.7 45.7 129.4 347 349 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.888 109.6 47.0 -60.3 -40.9 39.1 45.7 132.2 348 350 A L H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.832 108.8 55.8 -70.1 -33.1 36.6 43.9 130.0 349 351 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.935 106.2 50.5 -60.9 -48.2 39.3 41.5 128.9 350 352 A T H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.894 112.8 47.1 -55.9 -43.1 39.8 40.6 132.6 351 353 A V H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.965 111.6 50.3 -62.7 -52.6 36.1 40.1 133.0 352 354 A T H >< S+ 0 0 5 -4,-3.0 3,-0.8 1,-0.3 -2,-0.2 0.883 112.9 45.0 -52.7 -46.1 35.8 38.0 129.8 353 355 A L T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.338 112.6 50.2 -90.8 8.9 38.7 35.6 130.7 354 356 A T T < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.3 2,-0.2 0.219 83.3 112.1-125.9 12.0 37.6 35.0 134.3 355 357 A Q S < S- 0 0 5 -3,-0.8 2,-0.5 -4,-0.4 -36,-0.1 -0.545 77.1-106.1 -81.4 150.1 34.0 34.1 133.8 356 358 A R S S+ 0 0 44 -2,-0.2 2,-0.3 120,-0.1 120,-0.1 -0.683 89.7 40.2 -75.1 123.3 32.6 30.7 134.5 357 359 A G S S- 0 0 0 118,-0.9 -39,-0.2 -2,-0.5 -38,-0.0 -0.820 106.3 -46.6 131.2-173.7 32.1 29.1 131.1 358 360 A T E -p 318 0I 0 -41,-2.3 -39,-2.2 -2,-0.3 2,-0.2 -0.863 57.4-139.8-100.0 110.3 33.8 29.1 127.7 359 361 A P E -p 319 0I 1 0, 0.0 -349,-2.5 0, 0.0 2,-0.5 -0.442 11.2-159.8 -72.3 138.1 34.9 32.5 126.7 360 362 A F E -b 10 0A 3 -41,-3.1 2,-0.6 -351,-0.2 -39,-0.5 -0.981 4.3-157.2-116.6 118.8 34.5 33.6 123.0 361 363 A I E -b 11 0A 4 -351,-2.5 -349,-2.8 -2,-0.5 2,-0.3 -0.857 14.5-138.2 -96.2 120.6 36.6 36.6 121.9 362 364 A F E > -b 12 0A 3 -2,-0.6 3,-2.2 -351,-0.2 4,-0.4 -0.605 37.6 -87.6 -80.2 140.0 35.2 38.4 118.9 363 365 A Q T 3 S+ 0 0 0 -351,-1.8 -1,-0.1 -2,-0.3 -350,-0.0 -0.161 111.5 16.6 -53.5 122.5 37.8 39.4 116.3 364 366 A G T >>>S+ 0 0 0 -3,-0.1 5,-1.8 55,-0.1 3,-1.4 0.124 93.2 100.1 104.8 -20.5 39.4 42.8 117.0 365 367 A D T <45S+ 0 0 10 -3,-2.2 3,-0.3 1,-0.3 -2,-0.1 0.781 76.9 63.1 -67.3 -24.7 38.3 43.1 120.6 366 368 A E T 345S+ 0 0 0 -4,-0.4 -1,-0.3 1,-0.2 95,-0.3 0.581 106.0 46.2 -74.7 -8.3 41.8 42.0 121.6 367 369 A L T <45S- 0 0 0 -3,-1.4 -1,-0.2 90,-0.1 -2,-0.2 0.549 118.0-114.3-102.0 -14.7 42.9 45.2 119.8 368 370 A G T <5 - 0 0 1 -4,-0.7 -3,-0.2 -3,-0.3 -2,-0.1 0.854 47.6-177.8 79.9 37.5 40.3 47.3 121.5 369 371 A M < - 0 0 1 -5,-1.8 -39,-0.5 1,-0.1 -38,-0.3 -0.351 8.3-153.7 -67.1 151.0 38.4 48.1 118.3 370 372 A T - 0 0 9 1,-0.2 -41,-0.1 -40,-0.1 69,-0.1 -0.532 26.3 -65.5-119.4-179.3 35.5 50.4 118.7 371 373 A N - 0 0 24 -2,-0.2 -1,-0.2 -43,-0.2 43,-0.1 -0.311 58.3-106.4 -62.2 153.2 32.1 51.3 117.1 372 374 A Y - 0 0 25 36,-0.2 2,-1.8 1,-0.1 -1,-0.1 -0.647 23.8-118.0 -85.4 140.4 32.3 52.8 113.6 373 375 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.581 38.5-154.1 -76.3 82.6 31.6 56.6 113.1 374 376 A F + 0 0 25 -2,-1.8 3,-0.1 34,-0.2 34,-0.0 -0.275 32.9 150.9 -60.1 140.9 28.6 56.2 110.9 375 377 A K + 0 0 176 1,-0.4 -1,-0.2 0, 0.0 2,-0.1 0.508 53.8 48.4-132.7 -61.9 27.9 59.1 108.5 376 378 A T S > S- 0 0 67 1,-0.1 3,-0.6 0, 0.0 4,-0.5 -0.385 79.5-117.0 -85.8 163.4 26.2 58.0 105.3 377 379 A L G > S+ 0 0 111 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.878 114.5 63.8 -62.7 -38.1 23.1 55.7 104.9 378 380 A Q G > S+ 0 0 72 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.759 90.3 66.2 -59.8 -27.6 25.4 53.3 103.0 379 381 A D G < S+ 0 0 8 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.809 100.6 50.5 -61.9 -30.6 27.5 52.8 106.2 380 382 A F G < S+ 0 0 9 -3,-1.6 5,-0.3 -4,-0.5 -1,-0.2 0.514 76.5 145.4 -85.7 -6.7 24.4 51.1 107.8 381 383 A D < + 0 0 100 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.1 -0.062 22.6 125.1 -46.5 112.2 23.8 48.7 104.9 382 384 A D > - 0 0 13 1,-0.1 4,-2.1 30,-0.0 5,-0.2 -0.923 66.8-119.0-170.8 141.1 22.5 45.5 106.5 383 385 A I H > S+ 0 0 26 -2,-0.3 4,-1.7 -325,-0.3 5,-0.1 0.832 110.9 53.9 -60.1 -33.3 19.4 43.4 106.1 384 386 A E H > S+ 0 0 19 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.914 110.6 42.7 -71.1 -43.9 18.3 43.9 109.7 385 387 A V H > S+ 0 0 8 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.845 109.7 59.9 -69.9 -31.7 18.3 47.7 109.7 386 388 A K H X S+ 0 0 117 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.906 105.9 48.2 -58.1 -42.3 16.7 47.5 106.2 387 389 A G H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 -242,-0.3 0.827 106.2 57.1 -65.8 -34.2 13.9 45.7 108.0 388 390 A F H X>S+ 0 0 10 -4,-1.4 4,-2.3 2,-0.2 5,-0.7 0.870 105.2 51.0 -65.4 -37.6 13.8 48.4 110.7 389 391 A F H X>S+ 0 0 44 -4,-2.1 5,-2.9 3,-0.2 4,-1.2 0.924 111.6 48.4 -62.0 -44.8 13.2 51.0 108.0 390 392 A Q H <5S+ 0 0 50 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.8 35.4 -61.1 -41.4 10.3 48.8 106.7 391 393 A D H <5S+ 0 0 43 -4,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.701 133.7 19.2 -90.7 -21.2 8.8 48.4 110.1 392 394 A Y H <>S+ 0 0 59 -4,-2.3 6,-2.3 -5,-0.2 5,-0.9 0.706 126.8 37.2-123.6 -32.1 9.4 51.7 111.8 393 395 A V T >< - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.474 32.6-113.9 -83.1 162.1 11.9 59.2 111.4 400 402 A A H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.880 119.6 54.1 -60.6 -38.2 15.0 58.0 109.5 401 403 A E H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 107.5 49.3 -64.1 -43.3 17.1 60.3 111.6 402 404 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.925 112.0 48.8 -60.0 -47.1 15.7 58.8 114.8 403 405 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.944 113.9 44.4 -58.3 -51.1 16.4 55.2 113.5 404 406 A L H X S+ 0 0 35 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.833 107.1 59.6 -68.2 -34.0 20.0 56.0 112.5 405 407 A T H < S+ 0 0 89 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.922 116.9 33.5 -56.7 -44.9 20.8 57.9 115.7 406 408 A N H >X S+ 0 0 34 -4,-1.7 3,-1.8 2,-0.2 4,-0.9 0.922 114.9 55.0 -78.6 -46.7 20.0 54.8 117.6 407 409 A V H 3X S+ 0 0 2 -4,-3.3 4,-3.4 1,-0.3 -3,-0.2 0.780 94.2 71.4 -60.9 -26.0 21.2 52.2 115.2 408 410 A A H 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.847 105.6 40.1 -55.5 -32.6 24.6 54.0 115.2 409 411 A L H <4 S+ 0 0 96 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.706 128.8 29.5 -87.8 -23.7 25.0 52.5 118.7 410 412 A T H < S+ 0 0 8 -4,-0.9 -2,-0.2 -120,-0.1 -3,-0.2 0.459 81.9 134.2-118.9 -4.0 23.5 49.1 118.0 411 413 A S >< - 0 0 5 -4,-3.4 3,-1.3 -5,-0.2 4,-0.3 -0.160 55.0-138.1 -53.4 137.9 24.3 48.4 114.3 412 414 A R G > S+ 0 0 12 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.769 101.8 71.5 -65.7 -25.1 25.6 44.9 113.5 413 415 A N G >> S+ 0 0 2 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.694 78.3 76.6 -65.6 -19.3 28.0 46.7 111.1 414 416 A N G <4 S+ 0 0 0 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.831 103.0 38.6 -55.6 -31.9 29.9 48.0 114.2 415 417 A A G <4 S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.490 109.9 62.9 -97.1 -5.3 31.3 44.5 114.5 416 418 A R T <4 + 0 0 0 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.317 66.7 118.4-111.2 5.9 31.8 43.9 110.8 417 419 A T S < S- 0 0 3 -4,-0.5 21,-0.1 -3,-0.3 3,-0.1 -0.511 82.3 -77.1 -71.3 144.4 34.3 46.6 109.8 418 420 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.063 52.4-102.0 -44.7 133.6 37.6 45.2 108.5 419 421 A F - 0 0 0 -402,-2.7 2,-1.0 -401,-0.1 -55,-0.1 -0.357 36.0-123.8 -56.1 137.2 40.0 43.8 111.1 420 422 A Q + 0 0 0 1,-0.2 27,-2.3 -3,-0.1 8,-0.1 -0.751 41.9 162.4 -96.8 98.6 42.8 46.3 111.6 421 423 A W - 0 0 12 6,-2.2 27,-3.0 -2,-1.0 2,-0.2 0.884 63.0 -24.1 -84.7 -44.7 46.1 44.6 111.0 422 424 A D S S- 0 0 53 5,-1.6 25,-0.1 25,-0.2 7,-0.1 -0.760 71.2 -86.8-148.8-163.8 48.5 47.5 110.5 423 425 A D S S+ 0 0 102 -2,-0.2 3,-0.1 4,-0.1 20,-0.1 0.188 85.9 108.7-104.5 17.1 48.5 51.2 109.5 424 426 A S S > S- 0 0 54 1,-0.2 3,-1.8 2,-0.1 5,-0.1 -0.112 88.9 -42.5 -75.6-175.4 48.8 50.6 105.8 425 427 A A G > S- 0 0 71 1,-0.3 3,-1.4 2,-0.2 5,-0.4 -0.276 133.3 -1.2 -55.1 126.6 45.9 51.3 103.3 426 428 A N G > S- 0 0 47 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.845 126.3 -70.5 57.2 36.9 42.7 50.0 104.8 427 429 A A G < S- 0 0 0 -3,-1.8 -6,-2.2 1,-0.3 -5,-1.6 0.699 84.3 -69.5 56.0 24.5 44.5 48.7 107.9 428 430 A G G < S+ 0 0 14 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.667 109.6 117.1 71.1 16.9 46.2 46.0 105.9 429 431 A F S < S- 0 0 0 -3,-2.1 -409,-2.2 1,-0.3 2,-0.3 0.862 82.5 -0.7 -79.1 -39.5 42.9 44.1 105.5 430 432 A T - 0 0 8 -5,-0.4 -2,-0.3 -4,-0.4 -1,-0.3 -0.969 48.1-141.1-148.7 159.8 42.8 44.4 101.7 431 433 A T S S+ 0 0 133 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.552 95.3 43.0 -95.2 -13.2 44.7 45.9 98.7 432 434 A G S S- 0 0 29 -6,-0.1 -408,-0.2 1,-0.1 -2,-0.2 0.152 114.3 -48.9-104.1-139.7 41.5 46.9 97.1 433 435 A K - 0 0 179 -410,-0.5 -2,-0.1 4,-0.0 -1,-0.1 -0.916 56.5-126.8-107.9 116.2 38.3 48.5 98.4 434 436 A P - 0 0 13 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.269 14.6-125.8 -61.3 141.9 36.8 46.9 101.5 435 437 A W S S+ 0 0 61 -410,-2.3 2,-0.4 -419,-0.2 -409,-0.1 0.768 102.9 30.4 -60.8 -26.5 33.2 45.8 101.3 436 438 A L S S- 0 0 16 -411,-0.3 -1,-0.1 -20,-0.1 -57,-0.1 -0.995 103.7 -98.0-132.2 139.8 32.6 47.9 104.5 437 439 A K - 0 0 105 -2,-0.4 2,-0.2 -20,-0.1 -2,-0.1 -0.242 37.5-115.9 -60.7 139.8 34.7 51.0 105.3 438 440 A V - 0 0 13 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.495 34.5-101.8 -72.2 140.4 37.6 50.7 107.7 439 441 A N > - 0 0 4 -21,-0.3 3,-1.5 -2,-0.2 -1,-0.1 -0.505 26.5-133.4 -61.4 126.3 37.3 52.5 111.0 440 442 A P G > S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.708 99.4 74.6 -53.7 -24.3 39.5 55.7 110.8 441 443 A N G >> + 0 0 27 1,-0.2 4,-1.6 2,-0.1 3,-1.2 0.339 64.4 99.5 -76.4 10.3 41.0 54.9 114.2 442 444 A Y G <4 + 0 0 50 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.0 0.732 65.2 74.3 -66.9 -22.0 43.1 52.1 112.6 443 445 A T G <4 S+ 0 0 58 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.782 115.9 19.8 -63.3 -26.9 46.1 54.5 112.6 444 446 A E T <4 S+ 0 0 102 -3,-1.2 2,-0.6 1,-0.2 -1,-0.2 0.484 124.0 61.0-116.4 -11.1 46.4 54.0 116.3 445 447 A I S < S+ 0 0 2 -4,-1.6 2,-0.3 -23,-0.1 -1,-0.2 -0.849 73.1 119.8-119.5 93.8 44.4 50.8 116.7 446 448 A N > - 0 0 2 -2,-0.6 4,-1.3 -3,-0.1 -25,-0.3 -0.991 67.1-115.4-152.4 156.2 46.0 48.0 114.7 447 449 A A H > S+ 0 0 4 -27,-2.3 4,-2.3 -2,-0.3 3,-0.4 0.904 110.0 56.7 -58.3 -46.3 47.5 44.5 115.3 448 450 A A H > S+ 0 0 60 -27,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.867 107.6 47.2 -56.8 -42.1 51.1 45.5 114.3 449 451 A R H 4 S+ 0 0 142 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.818 116.2 45.1 -70.1 -29.2 51.4 48.3 116.8 450 452 A E H < S+ 0 0 5 -4,-1.3 9,-0.3 -3,-0.4 6,-0.3 0.777 100.7 63.8 -90.8 -27.6 50.1 46.2 119.6 451 453 A I H < S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.926 108.6 42.8 -57.9 -46.1 52.0 43.0 119.1 452 454 A G S < S+ 0 0 67 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.637 100.6 81.2 -78.7 -15.2 55.3 44.8 119.8 453 455 A D > - 0 0 66 -4,-0.4 3,-1.7 -3,-0.2 6,-0.5 -0.837 59.4-165.0 -99.9 111.1 54.0 46.7 122.7 454 456 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.569 91.4 56.4 -68.5 -9.1 53.9 44.7 126.0 455 457 A K T 3 S+ 0 0 165 4,-0.1 -5,-0.1 5,-0.0 -3,-0.0 0.376 88.3 110.4-100.8 1.8 51.6 47.4 127.5 456 458 A S S <> S- 0 0 3 -3,-1.7 4,-1.3 -6,-0.3 5,-0.1 -0.048 82.9-110.1 -73.6 173.9 49.0 47.1 124.8 457 459 A V H > S+ 0 0 0 -90,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 119.1 55.3 -67.5 -41.6 45.5 45.6 124.9 458 460 A Y H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 107.2 47.6 -56.3 -48.4 46.7 42.7 122.8 459 461 A S H > S+ 0 0 9 -6,-0.5 4,-2.4 -9,-0.3 -1,-0.2 0.836 111.2 52.1 -66.4 -32.9 49.5 41.8 125.2 460 462 A F H X S+ 0 0 14 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.923 110.6 47.1 -68.8 -45.4 47.0 42.1 128.2 461 463 A Y H X S+ 0 0 8 -4,-2.7 4,-2.7 -95,-0.3 -2,-0.2 0.936 112.9 50.6 -54.8 -48.2 44.6 39.7 126.4 462 464 A R H X S+ 0 0 119 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.886 111.7 46.7 -61.5 -40.9 47.5 37.4 125.7 463 465 A N H X S+ 0 0 68 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.871 112.3 50.5 -68.0 -37.9 48.7 37.4 129.3 464 466 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.892 109.3 50.5 -66.3 -41.2 45.1 36.8 130.6 465 467 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.930 111.2 49.1 -62.4 -44.7 44.7 33.9 128.2 466 468 A S H X S+ 0 0 52 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.917 112.4 48.2 -59.2 -45.4 48.0 32.4 129.5 467 469 A I H < S+ 0 0 26 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.913 110.9 49.5 -63.7 -44.5 46.9 32.9 133.1 468 470 A R H >< S+ 0 0 4 -4,-2.8 3,-1.0 1,-0.2 6,-0.2 0.891 108.5 54.7 -61.2 -39.9 43.5 31.3 132.6 469 471 A H H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.818 111.5 43.8 -62.5 -32.8 45.1 28.4 130.9 470 472 A E T 3< S+ 0 0 144 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.420 107.9 66.1 -93.5 0.4 47.4 27.8 133.9 471 473 A T X - 0 0 11 -3,-1.0 3,-1.7 -4,-0.5 4,-0.4 -0.829 58.7-170.8-132.4 94.0 44.6 28.3 136.4 472 474 A P T >>>S+ 0 0 69 0, 0.0 3,-1.8 0, 0.0 4,-1.7 0.813 84.9 62.9 -51.0 -40.3 41.8 25.7 136.5 473 475 A A H 3>5S+ 0 0 4 1,-0.3 4,-0.6 3,-0.2 22,-0.2 0.766 94.3 62.6 -61.2 -26.2 39.6 27.7 138.9 474 476 A L H <45S+ 0 0 1 -3,-1.7 -1,-0.3 -6,-0.2 -6,-0.1 0.649 118.5 24.9 -75.8 -14.4 39.4 30.5 136.3 475 477 A S H <45S+ 0 0 6 -3,-1.8 -118,-0.9 -4,-0.4 -2,-0.2 0.767 138.6 17.3-108.7 -68.0 37.6 28.1 133.9 476 478 A T H <5S+ 0 0 42 -4,-1.7 -3,-0.2 -120,-0.1 -2,-0.1 0.347 99.0 113.9 -93.3 5.2 35.8 25.3 135.6 477 479 A G S < - 0 0 63 8,-0.7 3,-2.0 6,-0.1 -1,-0.2 -0.597 60.6-175.4-152.7 82.7 28.1 42.2 145.9 484 486 A P T 3 S+ 0 0 46 0, 0.0 -182,-0.2 0, 0.0 -183,-0.1 0.668 87.7 55.7 -52.8 -22.3 25.4 42.0 143.2 485 487 A S T 3 S+ 0 0 84 -184,-0.1 2,-0.2 -183,-0.0 -187,-0.2 0.657 80.1 106.9 -87.8 -17.6 24.0 45.4 144.2 486 488 A N < - 0 0 43 -3,-2.0 -185,-0.2 1,-0.1 5,-0.1 -0.457 42.6-179.0 -67.4 127.1 27.3 47.3 143.7 487 489 A A S S+ 0 0 35 -2,-0.2 -190,-0.6 -190,-0.1 -1,-0.1 0.371 73.7 51.8-108.9 1.0 27.2 49.4 140.6 488 490 A D S S+ 0 0 56 1,-0.3 19,-2.3 -191,-0.1 2,-0.5 0.852 110.1 32.1 -99.6 -54.7 30.8 50.8 140.8 489 491 A V E - R 0 506J 3 17,-0.2 2,-0.6 18,-0.1 -1,-0.3 -0.929 66.2-145.1-118.3 126.6 33.1 47.9 141.2 490 492 A Y E + R 0 505J 0 15,-3.6 15,-3.6 -2,-0.5 2,-0.4 -0.795 31.0 167.6 -90.0 118.4 32.7 44.4 139.8 491 493 A A E + R 0 504J 1 -2,-0.6 -9,-2.3 13,-0.2 -8,-0.7 -0.994 2.9 147.0-139.6 131.2 34.1 41.8 142.2 492 494 A Y E -QR 481 503J 0 11,-2.2 11,-3.3 -2,-0.4 2,-0.3 -0.977 32.0-124.0-155.5 163.9 33.7 38.1 142.3 493 495 A T E -QR 480 502J 3 -13,-2.3 -13,-1.6 -2,-0.3 2,-0.4 -0.828 7.6-159.7-114.2 153.2 35.5 34.9 143.3 494 496 A R E -QR 479 501J 0 7,-2.2 7,-3.4 -2,-0.3 2,-0.4 -0.998 20.2-175.4-128.3 127.7 36.4 31.7 141.4 495 497 A S E +QR 478 500J 28 -17,-0.8 -17,-2.8 -2,-0.4 2,-0.3 -0.962 14.6 154.4-131.8 142.7 37.1 28.6 143.5 496 498 A Q E > - R 0 499J 47 3,-2.3 3,-1.7 -2,-0.4 -23,-0.2 -0.875 68.3 -2.3-164.9 131.7 38.3 25.0 142.8 497 499 A D T 3 S- 0 0 138 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.846 128.5 -51.7 58.0 39.9 40.1 22.3 144.8 498 500 A G T 3 S+ 0 0 85 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.425 115.0 115.3 80.3 -2.1 40.6 24.6 147.9 499 501 A E E < -R 496 0J 83 -3,-1.7 -3,-2.3 54,-0.0 2,-0.4 -0.903 45.8-169.2-104.9 122.7 42.1 27.3 145.8 500 502 A T E -R 495 0J 44 -2,-0.6 54,-2.2 54,-0.5 2,-0.3 -0.929 2.7-164.9-117.0 130.9 40.1 30.6 145.6 501 503 A Y E -RS 494 553J 20 -7,-3.4 -7,-2.2 -2,-0.4 2,-0.5 -0.862 8.4-145.9-114.1 148.8 40.8 33.5 143.3 502 504 A L E -RS 493 552J 0 50,-4.0 50,-3.1 -2,-0.3 2,-0.5 -0.949 7.5-165.4-117.1 129.8 39.4 37.1 143.5 503 505 A V E -RS 492 551J 0 -11,-3.3 -11,-2.2 -2,-0.5 2,-0.4 -0.959 8.1-178.7-114.1 127.3 38.6 39.3 140.5 504 506 A V E +RS 491 550J 0 46,-2.1 46,-1.1 -2,-0.5 2,-0.4 -0.983 1.9 177.3-129.3 122.5 38.1 43.0 141.0 505 507 A V E -RS 490 549J 0 -15,-3.6 -15,-3.6 -2,-0.4 2,-0.6 -0.970 21.0-145.5-131.0 119.8 37.2 45.4 138.2 506 508 A N E -R 489 0J 0 42,-3.3 -17,-0.2 -2,-0.4 -159,-0.1 -0.722 12.0-174.7 -82.3 117.5 36.5 49.1 138.5 507 509 A F + 0 0 26 -19,-2.3 2,-0.3 -2,-0.6 -18,-0.1 0.308 58.2 88.4 -94.8 8.3 33.8 50.1 136.0 508 510 A K S S- 0 0 79 -20,-0.2 39,-2.0 2,-0.2 40,-0.2 -0.785 75.6-135.2-106.8 151.6 34.1 53.8 136.8 509 511 A A S S+ 0 0 34 -2,-0.3 -1,-0.1 37,-0.2 -2,-0.0 -0.020 88.7 75.0 -88.2 29.2 36.4 56.4 135.3 510 512 A E S S- 0 0 111 35,-0.2 37,-0.3 0, 0.0 -2,-0.2 -0.939 96.7 -86.9-136.2 156.2 37.1 57.6 138.9 511 513 A P - 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0 0 5 -4,-3.7 3,-1.4 1,-0.1 4,-0.3 -0.171 54.0-137.8 -53.8 137.3 -22.8 56.5 69.1 967 414 B R G > S+ 0 0 11 1,-0.3 3,-1.5 2,-0.2 -86,-0.3 0.776 103.2 69.8 -63.0 -26.3 -24.1 53.0 69.9 968 415 B N G >> S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.658 78.0 77.8 -68.5 -16.9 -26.5 54.8 72.3 969 416 B N G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.803 102.5 38.9 -57.1 -29.1 -28.4 56.1 69.2 970 417 B A G <4 S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.427 108.9 63.4-101.1 -1.3 -29.9 52.7 68.9 971 418 B R T <4 + 0 0 1 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.1 0.353 66.2 118.1-112.4 3.7 -30.4 52.0 72.7 972 419 B T S < S- 0 0 2 -4,-0.5 21,-0.1 -3,-0.2 3,-0.1 -0.466 82.9 -76.7 -69.0 146.5 -32.9 54.7 73.6 973 420 B P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 -400,-0.2 -0.084 52.0-101.4 -50.4 137.4 -36.2 53.2 74.9 974 421 B F - 0 0 0 -402,-2.5 2,-1.0 -3,-0.1 -55,-0.1 -0.353 35.6-123.9 -57.2 137.4 -38.6 51.8 72.4 975 422 B Q + 0 0 0 1,-0.2 27,-2.2 -3,-0.1 8,-0.1 -0.740 42.2 161.5 -96.4 97.5 -41.4 54.3 71.7 976 423 B W - 0 0 13 6,-2.1 27,-3.2 -2,-1.0 7,-0.2 0.888 63.4 -26.9 -83.1 -45.1 -44.7 52.5 72.4 977 424 B D S S- 0 0 53 5,-1.6 7,-0.1 25,-0.2 -1,-0.1 -0.747 70.7 -84.5-149.9-161.5 -47.1 55.5 72.9 978 425 B D S S+ 0 0 102 -2,-0.2 3,-0.1 4,-0.1 20,-0.1 0.151 85.2 109.2-107.2 19.9 -47.2 59.1 74.0 979 426 B S S > S- 0 0 53 1,-0.2 3,-1.8 2,-0.1 5,-0.1 -0.114 89.1 -43.9 -76.2-174.7 -47.4 58.5 77.7 980 427 B A G > S- 0 0 72 1,-0.3 3,-1.3 2,-0.2 5,-0.5 -0.332 132.9 -0.8 -57.1 125.6 -44.6 59.2 80.1 981 428 B N G > S- 0 0 48 1,-0.2 3,-2.1 2,-0.2 4,-0.3 0.835 125.7 -70.9 58.7 36.1 -41.3 58.0 78.7 982 429 B A G < S- 0 0 0 -3,-1.8 -6,-2.1 1,-0.3 -5,-1.6 0.678 83.6 -70.0 58.9 21.9 -43.1 56.7 75.6 983 430 B G G < S+ 0 0 14 -3,-1.3 -1,-0.3 2,-0.3 -2,-0.2 0.609 108.6 118.8 73.8 11.8 -44.7 53.9 77.6 984 431 B F S < S- 0 0 0 -3,-2.1 -409,-2.7 1,-0.2 2,-0.3 0.857 82.7 -5.6 -73.0 -36.8 -41.4 52.1 77.9 985 432 B T - 0 0 8 -5,-0.5 -2,-0.3 -4,-0.3 -1,-0.2 -0.986 47.0-138.5-156.3 156.5 -41.5 52.4 81.7 986 433 B T S S+ 0 0 137 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.534 96.0 49.5 -92.5 -11.3 -43.4 53.8 84.7 987 434 B G S S- 0 0 26 -6,-0.1 -408,-0.2 1,-0.1 -2,-0.2 0.113 112.3 -56.5-100.7-145.2 -40.0 54.7 86.3 988 435 B K - 0 0 168 -410,-0.5 -2,-0.1 4,-0.0 -1,-0.1 -0.927 57.0-124.7-106.5 118.4 -36.9 56.5 85.1 989 436 B P - 0 0 8 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.257 12.3-125.4 -65.8 146.3 -35.4 54.9 82.0 990 437 B W S S+ 0 0 55 -410,-2.5 2,-0.3 -419,-0.2 -409,-0.1 0.708 103.5 29.3 -64.6 -20.5 -31.7 53.9 82.1 991 438 B L S S- 0 0 18 -411,-0.3 -1,-0.1 -20,-0.1 -57,-0.1 -0.993 103.4 -97.4-137.8 140.4 -31.3 56.0 78.9 992 439 B K - 0 0 97 -2,-0.3 2,-0.1 -20,-0.1 -2,-0.1 -0.297 37.5-117.2 -62.4 134.8 -33.3 59.1 78.1 993 440 B V - 0 0 13 -21,-0.1 -1,-0.1 1,-0.1 -19,-0.1 -0.432 36.0-101.0 -65.2 142.5 -36.3 58.6 75.7 994 441 B N > - 0 0 5 -21,-0.4 3,-1.7 1,-0.1 -1,-0.1 -0.540 25.9-131.6 -64.3 128.2 -36.0 60.6 72.5 995 442 B P G > S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.716 100.8 73.6 -53.8 -24.3 -38.2 63.7 72.7 996 443 B N G >> + 0 0 29 1,-0.2 4,-2.0 2,-0.1 3,-1.5 0.371 64.0 100.1 -76.3 7.8 -39.7 62.9 69.3 997 444 B Y G <4 + 0 0 54 -3,-1.7 -1,-0.2 1,-0.3 -3,-0.0 0.734 69.1 69.9 -64.6 -21.8 -41.7 60.1 70.8 998 445 B T G <4 S+ 0 0 53 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.790 115.2 25.1 -65.2 -26.6 -44.7 62.4 70.8 999 446 B E T <4 S+ 0 0 110 -3,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.591 124.2 54.8-108.5 -19.1 -44.7 62.1 67.0 1000 447 B I S < S+ 0 0 2 -4,-2.0 2,-0.3 -23,-0.1 -1,-0.2 -0.871 72.3 121.6-123.7 97.7 -43.0 58.7 66.7 1001 448 B N > - 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