==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-05 2A85 . COMPND 2 MOLECULE: L(+)-MANDELATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.SUKUMAR,Y.XU,B.MITRA,F.S.MATHEWS . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 0 0.0 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 . 24 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 2 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 3 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 4 A N 0 0 168 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.2 94.6 72.4 8.8 2 5 A L + 0 0 48 1,-0.1 3,-0.1 6,-0.0 4,-0.0 -0.874 360.0 143.2-115.6 88.0 92.0 72.6 11.7 3 6 A F + 0 0 138 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.394 62.3 15.4-112.7 -0.7 94.0 72.5 14.9 4 7 A N S > S- 0 0 33 1,-0.1 4,-1.0 282,-0.0 3,-0.4 -0.968 85.8 -88.9-162.1 171.5 92.1 74.8 17.3 5 8 A V H >> S+ 0 0 7 280,-0.4 4,-1.7 -2,-0.3 3,-0.6 0.869 120.7 59.9 -56.1 -41.1 88.8 76.6 17.7 6 9 A E H 3> S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.897 98.8 57.1 -55.6 -44.5 90.0 79.6 15.8 7 10 A D H 3> S+ 0 0 31 -3,-0.4 4,-2.1 1,-0.3 -1,-0.3 0.856 107.4 49.1 -56.8 -34.5 90.6 77.5 12.7 8 11 A Y H > - 0 0 80 0, 0.0 4,-2.9 0, 0.0 3,-0.7 -0.545 36.2-114.4 -72.4 144.6 76.4 83.9 4.7 18 21 A K H 3> S+ 0 0 135 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.891 115.6 56.3 -46.9 -45.7 77.7 87.2 6.2 19 22 A M H 3> S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 112.8 39.3 -55.3 -44.4 74.3 87.9 7.8 20 23 A V H <> S+ 0 0 14 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.906 115.1 52.6 -74.0 -43.2 74.3 84.6 9.7 21 24 A Y H X S+ 0 0 15 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.918 110.5 48.3 -58.4 -44.1 78.0 84.8 10.5 22 25 A D H X S+ 0 0 8 -4,-3.3 4,-2.1 -5,-0.3 -1,-0.2 0.859 107.6 55.3 -65.4 -34.9 77.5 88.3 12.0 23 26 A Y H < S+ 0 0 25 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.926 116.1 39.2 -60.8 -43.3 74.5 87.0 14.0 24 27 A L H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.949 124.5 34.4 -70.2 -54.5 76.8 84.4 15.5 25 28 A E H < S+ 0 0 37 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.689 95.2 110.9 -78.5 -22.5 80.0 86.4 16.0 26 29 A G < - 0 0 3 -4,-2.1 2,-0.2 -5,-0.3 136,-0.1 -0.059 43.3-172.0 -59.1 155.2 78.4 89.7 16.8 27 30 A G - 0 0 1 2,-0.2 137,-0.4 134,-0.1 2,-0.3 -0.677 36.5 -66.9-131.5-174.4 78.5 91.4 20.1 28 31 A A S > S- 0 0 1 226,-2.5 3,-2.2 -2,-0.2 5,-0.4 -0.642 83.7 -47.3 -86.6 138.0 76.8 94.4 21.7 29 32 A E T 3 S+ 0 0 92 132,-2.9 -2,-0.2 -2,-0.3 134,-0.1 -0.137 130.3 5.4 46.1-118.2 77.6 98.0 20.5 30 33 A D T 3 S- 0 0 100 1,-0.1 -1,-0.3 133,-0.0 132,-0.0 0.643 94.5-128.5 -69.8 -14.5 81.4 98.7 20.1 31 34 A E <> + 0 0 41 -3,-2.2 4,-0.9 223,-0.1 -2,-0.1 0.850 67.6 134.6 67.9 36.5 82.1 95.0 20.9 32 35 A Y H > + 0 0 150 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.646 66.6 67.6 -82.4 -18.6 84.6 95.8 23.7 33 36 A G H > S+ 0 0 2 -5,-0.4 4,-2.4 221,-0.2 -1,-0.1 0.953 100.7 41.8 -66.0 -51.7 82.7 93.2 25.6 34 37 A V H > S+ 0 0 29 220,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.861 115.9 50.9 -66.0 -34.4 83.7 90.2 23.5 35 38 A K H X S+ 0 0 116 -4,-0.9 4,-2.8 1,-0.2 3,-0.5 0.932 111.0 48.1 -68.1 -42.9 87.3 91.6 23.3 36 39 A H H X S+ 0 0 57 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.893 104.2 61.2 -61.9 -40.4 87.4 92.0 27.1 37 40 A N H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 112.5 38.1 -55.4 -34.9 86.0 88.4 27.5 38 41 A R H >< S+ 0 0 81 -4,-1.2 3,-1.7 -3,-0.5 4,-0.3 0.928 114.2 53.4 -81.4 -49.8 89.1 87.2 25.7 39 42 A D H >< S+ 0 0 68 -4,-2.8 3,-2.3 1,-0.3 4,-0.2 0.812 93.3 72.1 -53.9 -38.6 91.7 89.6 27.2 40 43 A V G >< S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.3 -1,-0.3 0.669 86.6 65.1 -56.7 -19.2 90.7 88.7 30.8 41 44 A F G X S+ 0 0 1 -3,-1.7 3,-1.3 1,-0.2 -1,-0.3 0.755 88.7 68.2 -76.5 -21.0 92.4 85.3 30.5 42 45 A Q G < S+ 0 0 113 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.488 80.5 77.8 -75.6 -0.9 95.7 87.1 30.1 43 46 A Q G < S+ 0 0 79 -3,-1.0 310,-2.5 -4,-0.2 2,-0.4 0.412 94.6 55.7 -87.1 3.5 95.5 88.2 33.7 44 47 A W E < -A 352 0A 30 -3,-1.3 2,-0.3 308,-0.3 308,-0.2 -0.989 62.7-179.0-140.4 128.7 96.5 84.7 34.8 45 48 A R E -A 351 0A 139 306,-2.5 306,-1.6 -2,-0.4 2,-0.3 -0.795 31.5 -99.6-120.2 163.9 99.5 82.6 33.8 46 49 A F E -A 350 0A 58 -2,-0.3 304,-0.2 304,-0.2 303,-0.1 -0.617 17.9-167.5 -90.1 144.6 100.5 79.1 34.9 47 50 A K - 0 0 115 302,-2.3 303,-0.0 -2,-0.3 290,-0.0 -0.796 28.3-150.8-125.6 80.9 103.0 78.1 37.5 48 51 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 290,-0.2 -0.133 9.5-130.1 -53.8 146.8 103.4 74.4 36.7 49 52 A K - 0 0 67 288,-3.0 3,-0.4 3,-0.0 300,-0.0 -0.911 32.2-149.3-103.2 107.7 104.3 71.9 39.4 50 53 A R + 0 0 164 -2,-0.7 3,-0.1 1,-0.2 287,-0.0 -0.184 65.9 29.3 -76.0 168.9 107.2 69.8 38.1 51 54 A L S S+ 0 0 186 1,-0.2 2,-0.4 3,-0.0 -1,-0.2 0.811 80.5 138.3 50.9 39.4 108.2 66.2 38.8 52 55 A V - 0 0 61 -3,-0.4 2,-0.7 283,-0.1 -1,-0.2 -0.883 63.2-110.2-108.5 142.7 104.7 65.1 39.4 53 56 A D + 0 0 119 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.647 47.4 161.0 -74.7 114.1 103.6 61.8 37.9 54 57 A V + 0 0 32 -2,-0.7 3,-0.2 1,-0.1 -1,-0.1 0.122 37.4 110.7-121.5 21.1 101.2 62.7 35.1 55 58 A S S S+ 0 0 70 1,-0.2 2,-0.4 280,-0.0 -1,-0.1 0.677 82.6 45.8 -68.5 -17.8 101.3 59.4 33.1 56 59 A R S S+ 0 0 204 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.865 78.6 176.7-129.9 97.7 97.7 58.7 34.2 57 60 A R - 0 0 95 -2,-0.4 2,-0.4 -3,-0.2 284,-0.2 -0.682 14.4-159.2-103.7 155.1 95.4 61.7 33.8 58 61 A S B +b 341 0B 42 282,-2.8 284,-2.8 -2,-0.3 285,-0.3 -0.972 18.7 175.4-137.9 122.0 91.7 62.1 34.4 59 62 A L + 0 0 14 -2,-0.4 -1,-0.1 10,-0.2 9,-0.1 0.397 49.5 121.5 -99.8 -1.4 89.4 64.8 33.1 60 63 A Q + 0 0 77 10,-0.2 2,-0.3 11,-0.1 283,-0.2 -0.356 37.5 160.9 -63.4 139.1 86.4 63.1 34.6 61 64 A A E -C 68 0C 12 7,-2.1 7,-2.6 281,-0.1 2,-0.5 -0.980 38.8-107.9-156.8 166.1 84.5 65.3 37.0 62 65 A E E -C 67 0C 119 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.885 23.1-170.0-105.9 127.0 81.2 65.8 38.8 63 66 A V E > S-C 66 0C 2 3,-2.9 3,-2.2 -2,-0.5 237,-0.0 -0.972 81.5 -14.3-115.1 120.3 78.9 68.6 37.8 64 67 A L T 3 S- 0 0 18 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.873 131.2 -54.7 54.8 37.8 76.0 69.1 40.2 65 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.388 117.8 109.7 80.5 -4.7 76.9 65.7 41.7 66 69 A K E < -C 63 0C 84 -3,-2.2 -3,-2.9 0, 0.0 -1,-0.2 -0.916 66.9-126.2-109.8 128.7 76.7 63.8 38.5 67 70 A R E +C 62 0C 170 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.463 31.9 172.3 -74.9 139.7 79.8 62.5 36.8 68 71 A Q E -C 61 0C 14 -7,-2.6 -7,-2.1 -2,-0.2 32,-0.2 -0.932 46.8 -99.4-140.8 161.8 80.6 63.4 33.2 69 72 A S S S- 0 0 27 30,-1.5 -10,-0.2 -2,-0.3 31,-0.1 0.738 100.3 -7.7 -55.7 -28.2 83.7 62.8 30.9 70 73 A M S S- 0 0 2 29,-0.3 2,-2.5 2,-0.2 -10,-0.2 -0.963 79.4 -91.6-166.8 154.9 85.0 66.3 31.5 71 74 A P S S+ 0 0 3 0, 0.0 230,-2.5 0, 0.0 2,-0.3 -0.125 88.4 104.6 -65.7 42.6 84.0 69.7 33.1 72 75 A L E -d 301 0D 0 -2,-2.5 2,-0.3 228,-0.2 230,-0.2 -0.822 43.4-177.2-125.2 165.5 82.4 71.0 29.9 73 76 A L E -d 302 0D 0 228,-1.2 230,-3.6 -2,-0.3 2,-0.9 -0.982 32.7-120.5-156.3 146.8 79.0 71.6 28.4 74 77 A I E -de 303 102D 1 27,-2.0 29,-2.0 -2,-0.3 230,-0.2 -0.858 45.9-139.9 -91.1 113.5 77.6 72.8 25.1 75 78 A G - 0 0 4 228,-2.5 2,-0.3 -2,-0.9 30,-0.1 -0.183 23.0 -81.1 -72.4 166.2 75.6 75.9 26.3 76 79 A P + 0 0 14 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.512 52.7 170.0 -72.3 124.7 72.2 77.1 25.2 77 80 A T - 0 0 32 26,-0.4 3,-0.5 -2,-0.3 28,-0.4 -0.999 26.8-126.1-138.9 138.0 72.2 79.1 22.0 78 81 A A S S+ 0 0 26 -2,-0.4 30,-0.2 1,-0.2 100,-0.0 -0.446 82.2 16.7 -81.8 152.2 69.3 80.2 19.8 79 82 A L > + 0 0 10 28,-1.9 3,-1.7 -2,-0.1 4,-0.4 0.809 63.6 155.6 57.3 39.6 68.8 79.6 16.1 80 83 A N G >> + 0 0 2 -3,-0.5 4,-1.5 1,-0.3 3,-1.4 0.809 68.1 67.8 -64.0 -29.2 71.4 76.7 15.7 81 84 A G G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.571 93.1 60.4 -67.6 -8.9 69.4 75.5 12.7 82 85 A A G <4 S+ 0 0 14 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.672 104.2 48.1 -89.6 -21.2 70.5 78.7 10.9 83 86 A L T <4 S- 0 0 7 -3,-1.4 -2,-0.2 -4,-0.4 232,-0.1 0.787 133.1 -10.8 -87.4 -29.8 74.2 77.7 11.3 84 87 A W S >< S- 0 0 88 -4,-1.5 3,-1.8 230,-0.1 -1,-0.4 -0.957 88.9 -76.0-167.1 147.2 73.7 74.2 10.0 85 88 A P T 3 S- 0 0 93 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.284 117.6 -5.8 -52.9 123.4 70.8 71.8 9.2 86 89 A K T >> S+ 0 0 143 -5,-0.2 4,-2.2 3,-0.1 3,-0.5 0.886 83.8 169.4 55.4 42.3 69.2 70.5 12.4 87 90 A G H <> + 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.855 68.0 60.3 -51.3 -41.2 72.0 72.2 14.3 88 91 A D H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 110.2 40.6 -55.3 -46.7 70.3 71.6 17.7 89 92 A L H <> S+ 0 0 8 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.867 110.5 57.2 -71.3 -37.1 70.5 67.8 17.2 90 93 A A H X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.890 112.8 42.9 -59.7 -38.6 74.0 67.8 15.7 91 94 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 3,-0.4 0.947 110.3 53.2 -72.0 -52.0 75.2 69.5 18.9 92 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.851 111.3 49.3 -53.1 -36.3 73.2 67.4 21.3 93 96 A R H X S+ 0 0 97 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.831 110.0 47.8 -75.8 -32.1 74.7 64.3 19.7 94 97 A A H X S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.876 113.6 49.4 -74.1 -36.0 78.3 65.6 19.8 95 98 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.8 0.944 113.3 46.0 -64.4 -48.9 77.8 66.5 23.4 96 99 A T H <5S+ 0 0 39 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.843 112.1 51.2 -63.4 -36.3 76.3 63.1 24.2 97 100 A K H <5S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 110.7 49.3 -70.3 -31.4 79.1 61.4 22.3 98 101 A A H <5S- 0 0 22 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.606 116.5-116.1 -82.3 -12.4 81.7 63.4 24.3 99 102 A G T <5S+ 0 0 34 -4,-0.8 -30,-1.5 1,-0.3 -29,-0.3 0.665 77.7 111.6 86.1 18.2 80.0 62.4 27.5 100 103 A I < - 0 0 4 -5,-2.6 -1,-0.3 -32,-0.2 22,-0.2 -0.841 68.9 -92.9-121.7 160.7 78.9 66.0 28.5 101 104 A P - 0 0 1 0, 0.0 -27,-2.0 0, 0.0 2,-0.4 -0.193 25.2-148.5 -71.0 161.7 75.5 67.7 28.7 102 105 A F E -ef 74 123D 1 20,-1.9 22,-3.1 -29,-0.2 2,-0.6 -0.993 7.9-147.6-128.9 133.9 73.7 69.7 26.1 103 106 A V E - f 0 124D 1 -29,-2.0 -26,-0.4 -2,-0.4 2,-0.3 -0.915 11.2-144.2-109.8 115.3 71.5 72.7 27.0 104 107 A L E - f 0 125D 0 20,-3.1 22,-3.3 -2,-0.6 2,-0.2 -0.579 18.8-128.6 -77.1 132.6 68.5 73.3 24.7 105 108 A S > - 0 0 2 -28,-0.4 3,-1.1 -2,-0.3 22,-0.1 -0.479 11.6-127.1 -80.1 150.2 67.6 76.9 24.2 106 109 A T T 3 S+ 0 0 1 1,-0.3 2,-0.4 -2,-0.2 74,-0.3 0.876 115.1 50.6 -60.9 -35.3 64.1 78.2 24.7 107 110 A A T 3 S+ 0 0 15 72,-0.1 -28,-1.9 73,-0.1 -1,-0.3 -0.304 85.0 140.8 -98.3 47.6 64.5 79.6 21.2 108 111 A S < - 0 0 0 -3,-1.1 71,-0.7 -2,-0.4 72,-0.6 -0.435 57.3-131.4 -86.3 164.2 65.7 76.4 19.5 109 112 A N S S+ 0 0 25 69,-0.2 2,-0.4 70,-0.1 68,-0.1 0.508 95.1 56.5 -92.5 -6.0 64.7 75.2 16.0 110 113 A M S S- 0 0 19 -24,-0.0 70,-0.2 68,-0.0 -2,-0.2 -0.934 94.6-109.5-121.4 145.6 63.9 71.7 17.2 111 114 A S > - 0 0 3 -2,-0.4 4,-2.1 68,-0.1 5,-0.3 -0.364 22.6-109.7 -81.6 158.6 61.4 71.2 20.0 112 115 A I H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.800 120.9 43.1 -48.9 -32.6 61.9 70.1 23.6 113 116 A E H > S+ 0 0 58 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.904 106.2 55.7 -85.4 -46.1 60.3 66.8 22.6 114 117 A D H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 113.7 44.0 -55.4 -39.1 61.8 66.0 19.2 115 118 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.949 109.9 52.8 -70.1 -50.7 65.3 66.2 20.8 116 119 A A H < S+ 0 0 25 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.731 114.6 46.6 -56.8 -22.2 64.4 64.2 23.9 117 120 A R H < S+ 0 0 170 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.808 116.8 40.1 -89.5 -35.2 63.1 61.6 21.4 118 121 A Q H < S+ 0 0 62 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.360 117.4 49.0 -96.9 4.7 66.1 61.6 19.0 119 122 A C < - 0 0 12 -4,-1.3 4,-0.1 -5,-0.1 -1,-0.1 -0.999 50.5-171.3-146.1 143.2 68.8 61.9 21.7 120 123 A D + 0 0 149 -2,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.202 53.2 106.5-119.6 15.2 69.6 60.0 25.0 121 124 A G S S- 0 0 21 1,-0.1 2,-0.7 -29,-0.1 -2,-0.1 -0.077 90.0 -63.5 -81.0-171.5 72.4 62.1 26.5 122 125 A D - 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0 0 2 -5,-2.7 -1,-0.2 1,-0.1 -23,-0.2 -0.614 23.7-156.7 -74.7 130.8 65.4 66.8 31.0 148 151 A T + 0 0 40 -25,-1.5 76,-0.6 -2,-0.4 2,-0.4 0.866 68.1 32.4 -77.4 -39.0 67.6 66.6 34.1 149 152 A T E -gh 124 224D 2 -26,-0.8 -24,-2.5 74,-0.1 2,-0.4 -0.933 61.4-152.0-127.5 147.4 68.4 70.2 34.6 150 153 A L E -gh 125 225D 0 74,-2.2 76,-2.5 -2,-0.4 2,-0.5 -0.926 10.8-161.5-114.7 138.6 66.6 73.5 34.1 151 154 A V E -gh 126 226D 1 -26,-3.1 -24,-3.5 -2,-0.4 2,-0.6 -0.952 5.3-156.1-127.8 114.9 68.4 76.8 33.5 152 155 A L E -gh 127 227D 4 74,-2.6 76,-3.2 -2,-0.5 2,-0.6 -0.793 11.4-153.6 -89.0 118.2 66.8 80.2 34.0 153 156 A T E + h 0 228D 10 -26,-1.9 -24,-0.3 -2,-0.6 3,-0.2 -0.841 18.4 173.6 -94.6 122.8 68.6 82.8 31.8 154 157 A T + 0 0 60 74,-2.8 3,-0.3 -2,-0.6 75,-0.2 0.472 54.1 84.4-109.7 -3.4 68.2 86.2 33.4 155 158 A D S S+ 0 0 29 73,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.023 76.0 72.0 -93.3 30.9 70.4 88.6 31.3 156 159 A V + 0 0 12 -3,-0.2 49,-0.4 1,-0.1 -1,-0.2 -0.252 44.4 137.6-135.2 47.4 67.9 89.3 28.5 157 160 A A S S+ 0 0 50 -3,-0.3 48,-0.4 1,-0.2 2,-0.3 0.936 90.0 5.2 -55.7 -46.6 65.4 91.6 30.3 158 161 A V S S- 0 0 101 46,-0.1 -1,-0.2 -3,-0.1 2,-0.1 -0.893 103.1 -84.0-131.3 162.0 65.5 93.6 27.1 159 162 A N - 0 0 82 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.437 45.2-113.1 -71.4 138.6 67.3 92.8 23.9 160 163 A G - 0 0 15 -2,-0.1 2,-1.5 1,-0.1 97,-0.1 -0.474 29.2-110.5 -72.5 141.0 71.0 93.7 23.6 161 164 A Y + 0 0 133 95,-0.5 -132,-2.9 -2,-0.2 2,-0.8 -0.557 44.3 174.6 -75.1 90.5 71.9 96.4 21.1 162 165 A R > - 0 0 50 -2,-1.5 4,-1.1 -134,-0.3 3,-0.5 -0.858 12.3-171.1-104.4 102.0 73.8 94.4 18.5 163 166 A E H > S+ 0 0 66 -2,-0.8 4,-3.3 -136,-0.3 5,-0.3 0.684 77.5 66.9 -67.4 -24.0 74.6 96.6 15.6 164 167 A R H > S+ 0 0 76 -137,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.936 106.4 44.4 -63.4 -42.8 75.9 94.0 13.1 165 168 A D H >>S+ 0 0 25 -3,-0.5 5,-2.4 2,-0.2 4,-0.6 0.854 113.4 52.7 -67.1 -33.6 72.3 92.6 13.0 166 169 A L H ><5S+ 0 0 80 -4,-1.1 3,-0.8 2,-0.2 -2,-0.2 0.935 109.4 45.9 -67.4 -47.5 71.1 96.2 12.7 167 170 A H H 3<5S+ 0 0 141 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.9 44.6 -65.6 -27.2 73.3 97.1 9.7 168 171 A N H 3<5S- 0 0 31 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.492 101.6-132.7 -93.5 -5.3 72.3 93.8 8.2 169 172 A R T <<5 - 0 0 182 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.890 36.7-149.8 52.1 37.8 68.6 94.2 9.0 170 173 A F < - 0 0 36 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.1 0.001 19.3-171.8 -41.9 137.5 69.0 90.6 10.2 171 174 A K - 0 0 158 -3,-0.1 -1,-0.1 0, 0.0 -152,-0.0 -1.000 34.5 -99.5-138.5 136.2 65.9 88.4 9.9 172 175 A I - 0 0 75 -2,-0.4 4,-0.1 1,-0.1 -93,-0.0 -0.363 57.0 -96.7 -55.9 116.2 65.3 84.9 11.3 173 176 A P > - 0 0 15 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.024 30.7-127.6 -37.9 129.0 65.8 82.6 8.3 174 177 A P T 3 S+ 0 0 125 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.863 106.0 56.0 -48.5 -49.7 62.5 81.7 6.6 175 178 A F T 3 S+ 0 0 160 -93,-0.0 2,-0.3 2,-0.0 -3,-0.0 0.564 105.1 69.6 -65.2 -7.5 62.9 77.9 6.7 176 179 A L < + 0 0 29 -3,-1.9 2,-0.3 -4,-0.1 -67,-0.1 -0.747 58.0 171.1-112.9 159.9 63.4 78.2 10.4 177 180 A T - 0 0 80 -2,-0.3 2,-1.7 -68,-0.1 3,-0.1 -0.966 47.6 -90.8-156.9 167.8 61.2 79.0 13.4 178 181 A L >> - 0 0 54 -2,-0.3 3,-2.3 1,-0.2 4,-0.6 -0.641 44.3-174.0 -87.7 81.5 61.0 79.0 17.2 179 182 A K G >4 S+ 0 0 52 -2,-1.7 3,-1.3 -71,-0.7 -1,-0.2 0.775 73.7 66.0 -46.2 -41.3 59.6 75.5 17.5 180 183 A N G 34 S+ 0 0 14 -72,-0.6 -1,-0.3 -74,-0.3 -73,-0.1 0.632 106.2 44.6 -62.6 -11.8 59.1 75.6 21.3 181 184 A F G X4 S+ 0 0 38 -3,-2.3 3,-1.6 2,-0.0 -1,-0.3 0.512 87.6 113.1-106.8 -10.8 56.4 78.3 20.7 182 185 A E T << S+ 0 0 120 -3,-1.3 3,-0.1 -4,-0.6 -3,-0.0 -0.339 81.7 16.8 -62.9 140.6 54.7 76.5 17.8 183 186 A G T 3 S+ 0 0 74 1,-0.2 2,-3.5 2,-0.1 -1,-0.2 0.466 74.7 149.6 76.2 0.6 51.2 75.2 18.5 184 187 A I < - 0 0 31 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.0 -0.326 61.3-108.2 -68.4 68.6 50.8 77.5 21.6 185 188 A D + 0 0 74 -2,-3.5 2,-0.3 -3,-0.1 -1,-0.1 0.396 46.0 174.3 32.0-168.8 47.1 77.7 20.9 186 189 A L + 0 0 95 -3,-0.1 2,-0.3 0, 0.0 3,-0.1 -0.930 50.6 83.5 161.3-167.9 45.1 80.7 19.6 187 190 A G + 0 0 50 -2,-0.3 2,-0.8 1,-0.2 -2,-0.0 0.162 67.8 123.2 70.5 -27.1 41.5 81.3 18.6 188 191 A K - 0 0 121 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 -0.676 40.4-177.3 -84.2 103.7 40.9 81.7 22.3 189 192 A M + 0 0 157 -2,-0.8 -1,-0.2 -3,-0.1 3,-0.1 -0.171 39.5 122.0 -80.6 18.9 39.5 85.0 22.6 190 193 A D S S- 0 0 91 1,-0.1 4,-0.2 0, 0.0 -3,-0.0 -0.017 74.0-115.5 -78.1-161.2 39.3 85.0 26.4 191 194 A K S >> S+ 0 0 66 2,-0.1 3,-2.1 3,-0.1 4,-1.2 0.883 112.8 51.3 -95.5 -50.1 41.3 88.0 27.7 192 195 A A T 34 S+ 0 0 47 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.761 109.4 52.8 -42.0 -40.2 44.0 86.1 29.5 193 196 A N T 3> S+ 0 0 12 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.667 108.6 49.5 -78.7 -17.0 44.5 84.1 26.4 194 197 A L H <> S+ 0 0 70 -3,-2.1 4,-0.9 -4,-0.2 -2,-0.2 0.551 97.9 67.4 -90.9 -27.3 45.0 87.3 24.4 195 198 A E H < S+ 0 0 137 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.032 102.5 51.0 -84.2 16.2 47.4 88.7 26.9 196 199 A M H > S+ 0 0 3 -3,-0.2 4,-1.8 -5,-0.2 -2,-0.2 0.574 100.2 56.9-124.0 -38.3 49.6 85.9 25.6 197 200 A Q H X S+ 0 0 38 -4,-0.5 4,-0.7 1,-0.2 -2,-0.2 0.778 103.8 57.4 -66.9 -26.8 49.4 86.5 21.9 198 201 A A H < S+ 0 0 61 -4,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.865 109.5 44.0 -70.4 -36.9 50.7 90.0 22.6 199 202 A A H >4 S+ 0 0 20 1,-0.2 3,-0.9 -3,-0.2 -2,-0.2 0.770 108.8 57.6 -77.4 -28.3 53.8 88.4 24.3 200 203 A L H 3< S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.667 106.7 48.9 -76.1 -16.8 54.1 85.9 21.4 201 204 A M T 3< S+ 0 0 165 -4,-0.7 2,-0.5 -3,-0.2 -1,-0.2 0.234 99.2 87.9-103.2 9.8 54.4 88.7 18.9 202 205 A S < - 0 0 42 -3,-0.9 -4,-0.0 2,-0.1 -1,-0.0 -0.948 61.0-160.9-115.7 120.5 57.0 90.4 21.1 203 206 A R S S+ 0 0 204 -2,-0.5 2,-0.4 2,-0.1 -1,-0.1 0.311 76.6 98.6 -75.6 10.9 60.7 89.6 20.8 204 207 A Q - 0 0 138 -5,-0.2 -2,-0.1 -46,-0.1 2,-0.1 -0.868 64.5-153.1-105.6 132.3 60.5 91.2 24.2 205 208 A M - 0 0 33 -2,-0.4 2,-1.1 -48,-0.4 -75,-0.3 -0.404 40.0 -66.8 -98.5 175.4 60.4 89.1 27.4 206 209 A D > - 0 0 41 -77,-2.4 3,-1.2 1,-0.2 -77,-0.1 -0.466 42.4-179.0 -65.4 97.2 59.1 89.5 30.9 207 210 A A T 3 S+ 0 0 71 -2,-1.1 -1,-0.2 1,-0.2 -50,-0.1 0.599 77.3 73.4 -72.0 -9.7 61.4 92.3 32.2 208 211 A S T 3 + 0 0 70 -51,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.648 61.0 122.8 -77.7 -21.0 59.3 91.8 35.4 209 212 A F < + 0 0 43 -3,-1.2 2,-0.1 -80,-0.2 -80,-0.0 -0.265 38.7 163.7 -54.0 109.8 60.8 88.4 36.4 210 213 A N > - 0 0 72 -2,-0.3 4,-1.1 1,-0.0 3,-0.1 -0.435 54.8 -77.8-116.3-171.2 62.1 89.0 40.0 211 214 A W H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.874 127.9 56.9 -59.6 -40.1 63.3 86.9 42.9 212 215 A E H >> S+ 0 0 118 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.919 105.9 51.0 -57.2 -43.8 59.7 86.2 43.9 213 216 A A H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.764 103.1 60.1 -65.1 -26.1 59.2 84.7 40.4 214 217 A L H 3X S+ 0 0 6 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.829 102.4 52.6 -70.3 -31.8 62.3 82.6 41.0 215 218 A R H - 0 0 26 1,-0.1 4,-1.7 34,-0.0 5,-0.2 -0.992 69.9-133.5-151.5 146.8 78.2 89.4 41.0 233 236 A A H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.851 110.3 59.5 -66.4 -33.1 79.0 87.1 44.0 234 237 A E H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 106.2 45.0 -60.6 -47.3 76.1 88.9 45.8 235 238 A D H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.836 111.8 51.6 -67.4 -35.6 73.6 87.8 43.1 236 239 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.910 110.3 50.1 -67.8 -39.7 74.9 84.2 43.0 237 240 A D H X S+ 0 0 63 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.879 109.2 51.0 -64.3 -39.5 74.5 84.0 46.8 238 241 A R H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.928 107.6 53.6 -64.3 -44.2 71.0 85.3 46.6 239 242 A C H <>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 -1,-0.2 0.881 110.3 46.1 -56.8 -43.2 70.1 82.7 44.0 240 243 A I H ><5S+ 0 0 35 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.891 110.2 54.8 -67.1 -38.4 71.4 79.9 46.3 241 244 A A H 3<5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.813 107.6 51.1 -63.3 -30.2 69.5 81.6 49.2 242 245 A E T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.347 132.7 -85.1 -90.5 3.8 66.3 81.3 47.0 243 246 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 1,-0.3 -18,-0.2 0.209 75.4 146.6 117.1 -18.9 66.7 77.7 46.2 244 247 A A < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -18,-0.2 -0.146 42.3-147.0 -52.8 147.1 69.0 77.5 43.2 245 248 A D S S- 0 0 39 -20,-3.1 2,-0.3 1,-0.3 -19,-0.2 0.534 75.8 -28.4 -92.6 -9.2 71.3 74.4 43.1 246 249 A G E -i 226 0D 0 -21,-0.8 -19,-1.4 30,-0.1 -1,-0.3 -0.950 64.2-119.9 173.8 173.9 74.0 76.5 41.4 247 250 A V E -ij 227 278D 1 30,-1.9 32,-2.9 -2,-0.3 2,-0.5 -0.891 8.7-134.1-135.2 165.2 74.6 79.4 39.2 248 251 A I E -ij 228 279D 0 -21,-3.1 -19,-2.1 -2,-0.3 -18,-1.4 -0.924 18.2-149.3-122.0 103.2 76.1 80.3 35.8 249 252 A L E +ij 230 280D 0 30,-2.4 32,-1.4 -2,-0.5 2,-0.3 -0.564 42.3 140.9 -67.8 130.6 78.3 83.4 35.9 250 253 A S - 0 0 0 -20,-1.8 32,-0.1 -2,-0.3 -2,-0.1 -0.960 53.5-157.0-171.3 149.9 78.0 84.9 32.4 251 254 A N > > - 0 0 5 -2,-0.3 5,-0.8 30,-0.2 3,-0.7 -0.029 64.9-100.3-119.9 26.0 77.7 88.1 30.4 252 255 A H G > 5S- 0 0 31 1,-0.2 3,-1.1 2,-0.2 30,-0.1 0.798 71.4 -62.8 62.3 33.5 76.0 86.3 27.5 253 256 A G G 3 5S- 0 0 10 1,-0.2 -1,-0.2 2,-0.1 -219,-0.1 0.865 94.9 -62.2 62.0 35.4 79.2 86.1 25.4 254 257 A G G < 5S+ 0 0 1 -3,-0.7 -226,-2.5 -221,-0.1 -220,-0.4 0.650 113.1 114.6 64.9 20.6 79.4 89.9 25.3 255 258 A R T < 5S+ 0 0 31 -3,-1.1 -3,-0.1 -4,-0.4 3,-0.1 0.553 73.0 40.5 -97.6 -10.0 76.1 90.1 23.4 256 259 A Q S - 0 0 116 -6,-0.4 3,-2.2 1,-0.1 -1,-0.3 -0.928 62.0-157.4-129.1 105.1 75.8 94.7 27.7 258 261 A D T 3 S+ 0 0 3 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.839 93.8 46.1 -49.6 -42.2 79.1 95.7 26.0 259 262 A C T 3 S+ 0 0 110 -227,-0.0 -1,-0.3 -226,-0.0 2,-0.1 0.225 83.7 131.7 -90.7 17.5 80.6 97.2 29.2 260 263 A A < - 0 0 12 -3,-2.2 -9,-0.1 -9,-0.1 2,-0.0 -0.387 62.8-112.3 -66.9 141.9 79.7 94.2 31.3 261 264 A I - 0 0 61 -30,-0.1 -1,-0.1 1,-0.1 -4,-0.1 -0.323 36.1-101.1 -68.8 161.4 82.5 92.8 33.4 262 265 A S > - 0 0 0 1,-0.1 3,-2.4 -226,-0.1 4,-0.4 -0.644 24.8-124.3 -81.8 140.4 83.8 89.3 32.5 263 266 A P T >> S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.783 110.9 70.3 -57.4 -20.1 82.4 86.6 34.7 264 267 A M H >> S+ 0 0 4 1,-0.3 3,-0.6 18,-0.2 4,-0.5 0.817 87.1 67.1 -63.8 -27.9 86.0 85.7 35.4 265 268 A E H <4 S+ 0 0 88 -3,-2.4 -1,-0.3 1,-0.2 4,-0.1 0.705 113.8 26.2 -66.9 -21.4 86.2 88.9 37.4 266 269 A V H <> S+ 0 0 18 -3,-1.3 4,-2.4 -4,-0.4 -1,-0.2 0.262 93.7 101.5-125.4 12.5 83.8 87.7 40.1 267 270 A L H S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 110.3 50.7 -67.2 -45.2 84.6 85.5 45.0 270 273 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.872 110.8 50.7 -60.7 -36.9 81.3 83.8 43.9 271 274 A V H X S+ 0 0 41 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.912 112.5 46.0 -66.9 -41.6 82.9 80.4 44.7 272 275 A A H < S+ 0 0 84 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 119.0 40.3 -68.8 -41.4 84.0 81.5 48.1 273 276 A K H < S+ 0 0 96 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.894 117.6 42.9 -78.2 -42.2 80.6 83.2 49.0 274 277 A T H < S- 0 0 13 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.878 76.0-157.9 -74.7 -37.5 78.1 80.7 47.6 275 278 A G < + 0 0 66 -4,-1.4 -4,-0.1 -5,-0.4 -3,-0.1 0.706 64.4 98.1 65.2 15.6 79.8 77.5 48.7 276 279 A K S S- 0 0 96 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.785 91.2 -59.6-127.4 170.7 77.7 75.9 45.9 277 280 A P - 0 0 21 0, 0.0 -30,-1.9 0, 0.0 2,-0.6 -0.311 48.3-168.5 -56.9 121.5 78.4 74.9 42.2 278 281 A V E -j 247 0D 2 19,-0.4 21,-2.1 -32,-0.2 22,-0.4 -0.921 7.7-177.5-116.1 103.9 79.5 78.0 40.2 279 282 A L E -j 248 0D 0 -32,-2.9 -30,-2.4 -2,-0.6 2,-0.3 -0.452 7.4-167.7 -92.3 172.3 79.6 77.3 36.5 280 283 A I E +jk 249 301D 0 20,-1.6 22,-2.7 -32,-0.2 2,-0.3 -0.998 18.4 167.6-160.9 159.8 80.7 79.8 33.9 281 284 A D + 0 0 16 -32,-1.4 -30,-0.2 -2,-0.3 22,-0.1 -0.921 28.7 104.4-158.2 179.3 80.9 80.8 30.2 282 285 A S S S+ 0 0 9 20,-0.4 -18,-0.2 -2,-0.3 -1,-0.1 0.793 88.9 14.9 99.8 92.1 81.7 83.8 28.0 283 286 A G S S+ 0 0 4 1,-0.3 2,-0.3 -21,-0.1 -242,-0.1 0.248 77.1 145.2 107.6 -12.0 85.0 84.1 26.1 284 287 A F + 0 0 3 18,-0.2 22,-0.4 1,-0.2 20,-0.3 -0.438 7.6 132.2 -68.4 121.6 86.3 80.5 26.4 285 288 A R + 0 0 37 -2,-0.3 -280,-0.4 1,-0.2 2,-0.3 0.512 58.8 58.2-136.2 -31.8 88.2 79.3 23.3 286 289 A R S > S- 0 0 110 1,-0.1 4,-1.8 -282,-0.1 3,-0.2 -0.734 76.7-125.4-107.1 156.1 91.4 77.7 24.6 287 290 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.817 114.4 59.2 -65.7 -29.7 91.9 74.8 26.9 288 291 A S H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 102.4 52.0 -67.3 -34.7 94.0 77.1 29.0 289 292 A D H > S+ 0 0 4 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.969 111.8 46.6 -63.4 -52.2 91.1 79.5 29.4 290 293 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.880 112.8 49.7 -55.5 -44.2 88.9 76.6 30.6 291 294 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.879 106.5 54.1 -67.2 -39.2 91.6 75.4 33.0 292 295 A K H X S+ 0 0 11 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.906 112.0 45.9 -61.4 -40.7 92.2 78.8 34.6 293 296 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.3 0.914 113.2 47.8 -68.1 -43.9 88.5 79.0 35.4 294 297 A L H ><5S+ 0 0 16 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.878 110.5 53.9 -62.8 -36.9 88.4 75.5 36.7 295 298 A A H 3<5S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.1 56.0 -66.5 -30.7 91.5 76.3 38.7 296 299 A L T 3<5S- 0 0 19 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.468 132.7 -87.1 -81.5 -4.1 89.7 79.3 40.2 297 300 A G T < 5S+ 0 0 34 -3,-1.1 -19,-0.4 -4,-0.3 -3,-0.2 0.343 75.3 148.3 118.8 -10.0 86.9 77.2 41.5 298 301 A A < - 0 0 7 -5,-2.2 -1,-0.3 1,-0.1 -19,-0.2 -0.290 40.2-148.0 -58.8 142.1 84.5 76.9 38.6 299 302 A E S S- 0 0 55 -21,-2.1 2,-0.3 1,-0.3 -20,-0.2 0.825 73.6 -19.2 -80.5 -33.6 82.6 73.6 38.5 300 303 A A - 0 0 0 -22,-0.4 -20,-1.6 -7,-0.1 2,-0.4 -0.976 60.3-123.2-166.6 162.3 82.4 73.5 34.7 301 304 A V E -dk 72 280D 0 -230,-2.5 -228,-1.2 -2,-0.3 2,-0.4 -0.955 18.3-144.9-119.1 135.4 82.6 75.7 31.7 302 305 A L E -d 73 0D 2 -22,-2.7 2,-0.4 -2,-0.4 -20,-0.4 -0.814 15.3-137.1 -99.2 138.1 79.8 76.0 29.1 303 306 A L E +d 74 0D 2 -230,-3.6 -228,-2.5 -2,-0.4 -18,-0.1 -0.803 29.7 162.4 -98.7 135.0 80.8 76.5 25.4 304 307 A G S > S+ 0 0 29 -2,-0.4 4,-1.3 -20,-0.3 3,-0.2 0.575 74.7 7.2-108.6 -95.6 79.0 79.0 23.3 305 308 A R H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.831 117.0 71.9 -61.8 -36.8 80.6 80.1 20.0 306 309 A A H >> S+ 0 0 0 -22,-0.4 4,-1.0 1,-0.2 3,-0.7 0.932 107.6 33.4 -46.1 -61.2 83.5 77.6 20.2 307 310 A T H 3> S+ 0 0 0 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.825 112.3 63.7 -68.2 -28.9 81.4 74.5 19.4 308 311 A L H 3X S+ 0 0 10 -4,-1.3 4,-3.0 1,-0.2 -1,-0.2 0.810 98.3 56.7 -64.7 -26.5 79.1 76.6 17.1 309 312 A Y H X S- 0 0 86 -4,-2.6 4,-1.3 1,-0.3 3,-0.6 0.074 87.3-132.4-137.5 28.7 81.3 71.0 9.4 315 318 A G H 3X S- 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 -0.161 74.8 -11.1 56.8-147.1 78.1 70.1 11.2 316 319 A E H 3> S+ 0 0 56 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.888 139.7 49.3 -53.1 -48.9 78.0 67.3 13.7 317 320 A T H <> S+ 0 0 77 -3,-0.6 4,-2.6 1,-0.2 -1,-0.3 0.858 107.8 57.1 -61.9 -32.5 81.4 66.0 12.9 318 321 A G H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.3 -7,-0.3 0.858 107.7 46.7 -65.4 -35.2 82.7 69.5 13.2 319 322 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 5,-0.2 0.895 110.1 52.8 -72.8 -40.2 81.3 69.7 16.7 320 323 A D H X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 110.5 50.1 -58.2 -44.2 82.9 66.3 17.5 321 324 A E H X S+ 0 0 50 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.892 109.0 48.7 -62.8 -42.7 86.2 67.7 16.3 322 325 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 114.7 46.6 -66.0 -38.6 86.0 70.9 18.3 323 326 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.885 111.1 51.9 -70.1 -38.0 85.2 68.8 21.4 324 327 A T H X S+ 0 0 95 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.933 112.5 45.3 -64.2 -44.3 88.0 66.3 20.6 325 328 A L H X S+ 0 0 48 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.923 112.8 50.7 -64.7 -43.9 90.5 69.1 20.3 326 329 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.856 110.6 48.7 -64.1 -35.8 89.4 70.9 23.5 327 330 A K H X S+ 0 0 89 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.936 114.7 44.8 -68.0 -45.9 89.6 67.7 25.5 328 331 A A H X S+ 0 0 35 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.890 113.8 51.7 -63.1 -39.0 93.1 67.0 24.2 329 332 A D H X S+ 0 0 26 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.943 112.4 44.3 -61.8 -50.6 93.9 70.6 24.8 330 333 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.917 115.0 50.1 -59.6 -45.4 92.6 70.4 28.4 331 334 A D H X S+ 0 0 42 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.943 109.8 48.8 -58.7 -52.6 94.4 67.1 28.8 332 335 A R H X S+ 0 0 139 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.858 110.5 54.2 -56.6 -36.3 97.7 68.4 27.5 333 336 A T H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.900 105.5 49.3 -68.0 -43.7 97.3 71.4 29.8 334 337 A L H X>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-1.1 0.925 110.7 52.9 -61.3 -42.7 96.9 69.4 33.0 335 338 A A H <5S+ 0 0 23 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.912 109.0 49.2 -58.6 -45.0 100.0 67.4 32.0 336 339 A Q H <5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.3 41.4 -65.1 -38.7 102.0 70.6 31.6 337 340 A I H <5S- 0 0 2 -4,-2.0 -288,-3.0 -289,-0.2 -1,-0.2 0.517 113.6-116.1 -88.4 -4.4 101.1 72.2 34.9 338 341 A G T <5S+ 0 0 5 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.834 73.7 128.2 76.7 33.4 101.4 68.8 36.8 339 342 A C < + 0 0 0 -5,-2.3 -1,-0.1 -6,-0.2 6,-0.1 -0.762 28.6 176.5-121.2 82.2 97.8 68.4 37.8 340 343 A P + 0 0 33 0, 0.0 -282,-2.8 0, 0.0 2,-0.7 0.802 69.0 58.4 -55.9 -35.2 96.9 64.8 36.6 341 344 A D B > S-b 58 0B 57 -284,-0.2 3,-3.0 1,-0.1 4,-0.3 -0.889 75.9-148.5-104.0 115.8 93.4 64.8 38.1 342 345 A I G > S+ 0 0 7 -284,-2.8 3,-0.9 -2,-0.7 -1,-0.1 0.745 97.0 63.7 -52.5 -23.6 91.3 67.7 36.9 343 346 A T G 3 S+ 0 0 89 -285,-0.3 -1,-0.3 -283,-0.2 -284,-0.1 0.510 91.0 64.7 -81.9 -2.1 89.6 67.8 40.2 344 347 A S G < S+ 0 0 64 -3,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.458 72.2 128.1 -97.7 -2.2 92.8 68.7 42.0 345 348 A L < + 0 0 23 -3,-0.9 -53,-0.0 -4,-0.3 -3,-0.0 -0.214 31.1 164.5 -54.8 140.5 93.0 72.1 40.3 346 349 A S > - 0 0 39 -50,-0.0 3,-1.9 -49,-0.0 4,-0.2 -0.956 56.6 -94.7-152.2 166.8 93.4 75.1 42.6 347 350 A P G > S+ 0 0 85 0, 0.0 3,-1.8 0, 0.0 -51,-0.1 0.659 110.4 86.2 -60.1 -11.7 94.5 78.8 42.5 348 351 A D G 3 S+ 0 0 106 1,-0.3 -3,-0.1 -53,-0.2 -53,-0.0 0.775 82.6 54.0 -59.2 -31.6 97.9 77.3 43.4 349 352 A Y G < S+ 0 0 21 -3,-1.9 -302,-2.3 -54,-0.1 -1,-0.3 0.414 100.0 84.4 -85.7 2.0 98.7 76.7 39.8 350 353 A L E < -A 46 0A 18 -3,-1.8 2,-0.4 -304,-0.2 -304,-0.2 -0.683 54.0-164.3-110.1 162.3 98.0 80.3 38.8 351 354 A Q E -A 45 0A 78 -306,-1.6 -306,-2.5 -2,-0.2 2,-0.3 -0.972 23.1-134.0-139.1 117.6 99.8 83.7 38.8 352 355 A N E A 44 0A 95 -2,-0.4 -308,-0.3 -308,-0.2 -309,-0.1 -0.616 360.0 360.0 -78.1 136.5 97.8 86.9 38.5 353 356 A E 0 0 124 -310,-2.5 -309,-0.2 -2,-0.3 -1,-0.1 -0.133 360.0 360.0-105.7 360.0 99.5 89.2 36.0