==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-98 4THI . COMPND 2 MOLECULE: PROTEIN (THIAMINASE I); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR N.CAMPOBASSO,T.P.BEGLEY,S.E.EALICK . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 3 2 0 4 2 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 PARALLEL BRIDGES PER LADDER . 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9 A I 0 0 113 0, 0.0 32,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.0 7.7 -1.4 -9.1 2 10 A T E -a 33 0A 71 30,-0.2 2,-0.4 32,-0.0 32,-0.2 -0.986 360.0-154.0-125.6 130.4 9.9 1.7 -9.2 3 11 A L E -a 34 0A 0 30,-2.8 32,-2.7 -2,-0.4 2,-0.6 -0.900 11.0-138.8-108.5 134.2 9.0 4.9 -7.2 4 12 A K E +a 35 0A 64 -2,-0.4 48,-1.8 45,-0.3 47,-1.0 -0.853 32.6 176.8 -92.1 122.6 10.2 8.3 -8.4 5 13 A V E -ab 36 52A 0 30,-1.7 32,-2.7 -2,-0.6 2,-0.4 -0.927 22.5-160.7-129.3 153.3 11.2 10.4 -5.3 6 14 A A E - b 0 53A 0 46,-1.6 48,-1.1 -2,-0.3 32,-0.1 -0.987 9.8-156.0-136.9 118.8 12.8 13.8 -4.6 7 15 A I - 0 0 18 -2,-0.4 32,-0.3 30,-0.4 47,-0.1 -0.391 47.7 -75.0 -82.0 169.5 14.5 14.7 -1.3 8 16 A Y - 0 0 15 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.540 44.7-155.9 -70.5 122.3 14.7 18.3 -0.2 9 17 A P S S+ 0 0 27 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.800 73.3 72.7 -69.8 -31.2 17.4 19.9 -2.4 10 18 A Y + 0 0 129 3,-0.1 -2,-0.1 4,-0.1 3,-0.0 -0.524 68.7 107.9 -94.4 75.2 18.6 22.8 -0.2 11 19 A V S S- 0 0 10 -2,-1.3 202,-0.1 -3,-0.1 6,-0.0 -0.900 80.4-102.3-136.9 160.9 20.5 21.3 2.7 12 20 A P S S+ 0 0 25 0, 0.0 202,-0.1 0, 0.0 -1,-0.0 0.850 114.2 14.6 -54.5 -35.9 24.3 21.2 3.5 13 21 A D > + 0 0 32 1,-0.1 4,-0.9 281,-0.1 3,-0.4 -0.768 59.7 172.8-146.7 93.8 24.6 17.7 2.3 14 22 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.774 80.7 67.0 -69.8 -26.0 21.8 16.1 0.1 15 23 A A H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.853 97.7 54.1 -63.6 -33.4 23.9 13.0 -0.5 16 24 A R H > S+ 0 0 14 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.886 109.5 47.4 -68.7 -35.6 23.6 12.2 3.1 17 25 A F H X S+ 0 0 3 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.950 110.7 50.8 -69.6 -46.1 19.8 12.4 2.9 18 26 A Q H X S+ 0 0 87 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.867 112.0 47.3 -60.0 -37.8 19.6 10.3 -0.3 19 27 A A H X S+ 0 0 58 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.859 111.2 50.7 -73.2 -34.4 21.8 7.5 1.3 20 28 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.909 111.0 48.5 -68.2 -43.1 19.7 7.5 4.6 21 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 112.9 47.6 -62.7 -45.7 16.4 7.2 2.7 22 30 A L H X S+ 0 0 65 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.922 112.5 49.3 -62.8 -44.4 17.7 4.4 0.5 23 31 A D H X S+ 0 0 53 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.908 115.9 42.2 -61.2 -46.0 19.1 2.5 3.5 24 32 A Q H >X S+ 0 0 14 -4,-2.4 4,-0.7 2,-0.2 3,-0.5 0.860 112.5 53.2 -71.6 -36.9 15.9 2.8 5.5 25 33 A W H >X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 3,-1.4 0.953 105.1 55.2 -63.4 -48.6 13.6 2.0 2.6 26 34 A Q H 3< S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 97.6 64.5 -58.9 -22.1 15.5 -1.2 1.8 27 35 A R H << S+ 0 0 151 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.828 119.2 22.6 -72.5 -29.0 15.0 -2.5 5.3 28 36 A Q H << S+ 0 0 101 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.711 140.5 23.7-104.7 -32.4 11.2 -2.7 4.9 29 37 A E >< + 0 0 46 -4,-3.1 3,-0.8 -5,-0.2 -2,-0.2 -0.513 60.6 161.3-137.8 69.5 10.9 -2.9 1.0 30 38 A P T 3 S+ 0 0 104 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.702 77.4 54.8 -63.2 -18.7 14.1 -4.3 -0.6 31 39 A G T 3 S+ 0 0 70 2,-0.1 2,-0.7 1,-0.0 -5,-0.1 0.741 86.9 84.1 -88.0 -25.4 12.3 -5.1 -3.8 32 40 A V S < S- 0 0 18 -3,-0.8 -30,-0.2 -7,-0.1 -3,-0.1 -0.736 75.2-139.7 -86.4 114.9 10.8 -1.7 -4.6 33 41 A K E -a 2 0A 123 -32,-1.6 -30,-2.8 -2,-0.7 2,-0.4 -0.365 7.6-147.0 -74.0 145.4 13.3 0.4 -6.5 34 42 A L E -a 3 0A 10 -32,-0.2 2,-0.6 -2,-0.1 -30,-0.2 -0.971 5.7-163.6-115.8 130.7 13.8 4.1 -5.8 35 43 A E E -a 4 0A 86 -32,-2.7 -30,-1.7 -2,-0.4 2,-0.3 -0.918 16.3-148.6-115.8 101.2 14.7 6.6 -8.6 36 44 A F E -a 5 0A 45 -2,-0.6 2,-0.3 -32,-0.2 -30,-0.2 -0.561 20.7-177.4 -73.6 127.4 15.9 9.8 -7.0 37 45 A T - 0 0 50 -32,-2.7 2,-0.5 -2,-0.3 -30,-0.4 -0.772 29.8-106.9-124.4 164.9 15.2 13.0 -9.0 38 46 A D + 0 0 151 -2,-0.3 2,-0.3 -32,-0.1 -30,-0.1 -0.813 46.5 158.8 -93.1 124.9 16.0 16.7 -8.8 39 47 A W - 0 0 14 -2,-0.5 2,-0.5 -32,-0.3 15,-0.2 -0.938 21.7-166.6-153.3 132.6 12.9 18.8 -7.9 40 48 A D > - 0 0 21 -2,-0.3 3,-1.3 1,-0.1 4,-0.5 -0.950 11.4-160.5-124.7 115.4 12.5 22.3 -6.4 41 49 A S T 3 S+ 0 0 1 -2,-0.5 3,-0.3 13,-0.3 -1,-0.1 0.708 89.6 67.2 -63.4 -22.7 9.1 23.6 -5.0 42 50 A Y T 3 S+ 0 0 70 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.761 117.7 20.3 -71.1 -24.7 10.3 27.2 -5.3 43 51 A S S < S+ 0 0 93 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.172 122.8 40.0-131.3 18.8 10.4 27.1 -9.1 44 52 A A - 0 0 39 -4,-0.5 -1,-0.1 -3,-0.3 -5,-0.0 -0.978 64.3-124.4-165.8 151.0 8.2 24.2 -10.2 45 53 A D - 0 0 60 -2,-0.3 -5,-0.1 1,-0.1 -3,-0.0 -0.498 56.3 -73.6 -89.2 166.3 4.9 22.3 -9.6 46 54 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.444 49.9-125.7 -67.1 121.4 4.8 18.6 -8.9 47 55 A P > - 0 0 51 0, 0.0 3,-1.2 0, 0.0 222,-0.0 -0.299 21.0-117.5 -60.6 151.9 5.5 16.5 -12.1 48 56 A D T 3 S+ 0 0 116 1,-0.2 223,-0.0 222,-0.0 221,-0.0 0.766 113.0 44.9 -66.5 -23.0 2.8 14.0 -12.9 49 57 A D T 3 S+ 0 0 94 223,-0.1 2,-0.9 -46,-0.0 -45,-0.3 0.315 83.8 105.0-103.9 9.7 5.2 11.0 -12.5 50 58 A L < - 0 0 4 -3,-1.2 219,-0.2 1,-0.2 -45,-0.1 -0.821 48.8-175.0 -91.2 106.0 7.0 12.2 -9.3 51 59 A D + 0 0 18 -47,-1.0 218,-2.2 -2,-0.9 2,-0.4 0.924 63.5 17.1 -70.3 -53.1 5.5 9.9 -6.6 52 60 A V E S+bC 5 268A 0 -48,-1.8 -46,-1.6 216,-0.2 2,-0.3 -0.980 72.5 161.3-126.3 140.5 6.9 11.3 -3.4 53 61 A F E -bC 6 267A 0 214,-2.1 214,-3.0 -2,-0.4 2,-0.5 -0.998 33.1-124.1-158.4 157.3 8.6 14.7 -2.8 54 62 A V E + C 0 266A 2 -48,-1.1 -13,-0.3 -2,-0.3 2,-0.3 -0.903 32.4 177.1-110.2 129.7 9.6 17.3 -0.2 55 63 A L E - C 0 265A 0 210,-2.4 210,-2.2 -2,-0.5 2,-0.5 -0.870 36.1-106.9-131.0 158.3 8.4 20.9 -0.4 56 64 A D E > - C 0 264A 5 -2,-0.3 3,-2.1 208,-0.2 208,-0.2 -0.751 36.3-127.8 -82.2 128.8 8.6 24.2 1.6 57 65 A S G >> S+ 0 0 1 206,-2.6 3,-1.2 -2,-0.5 285,-0.5 0.554 98.2 81.9 -57.1 -12.9 5.2 24.8 3.2 58 66 A I G 34 S+ 0 0 0 1,-0.3 284,-0.4 283,-0.2 -1,-0.3 0.843 99.3 44.6 -62.3 -25.0 4.8 28.3 1.8 59 67 A F G <> S+ 0 0 2 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.429 87.1 94.8 -96.0 -0.6 3.6 26.5 -1.3 60 68 A L H <> S+ 0 0 0 -3,-1.2 4,-2.3 1,-0.2 5,-0.2 0.898 81.5 51.7 -58.6 -47.3 1.4 23.9 0.5 61 69 A S H X S+ 0 0 0 281,-0.5 4,-2.1 -4,-0.5 -1,-0.2 0.897 110.7 49.1 -59.3 -40.9 -1.9 25.9 0.1 62 70 A H H > S+ 0 0 42 281,-0.3 4,-1.5 -4,-0.3 -1,-0.2 0.947 112.2 47.5 -63.0 -50.3 -1.4 26.3 -3.7 63 71 A F H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 6,-0.6 0.850 112.0 50.4 -61.0 -39.4 -0.7 22.6 -4.2 64 72 A V H ><5S+ 0 0 10 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.969 112.3 44.4 -65.2 -52.0 -3.7 21.5 -2.1 65 73 A D H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.705 108.1 59.5 -67.5 -20.6 -6.2 23.7 -3.9 66 74 A A T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.468 114.4-115.3 -85.5 -3.8 -4.8 22.7 -7.3 67 75 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.668 77.7 125.8 79.3 20.7 -5.6 19.0 -6.7 68 76 A Y < + 0 0 58 -5,-1.9 202,-3.4 -6,-0.2 203,-0.4 0.764 54.7 68.1 -79.6 -32.2 -1.9 17.9 -6.7 69 77 A L B -F 269 0B 9 -6,-0.6 200,-0.2 200,-0.2 30,-0.1 -0.556 65.2-138.5-101.7 161.2 -1.7 16.1 -3.3 70 78 A L - 0 0 37 198,-1.7 198,-0.5 -2,-0.2 -2,-0.0 -0.965 32.2-125.7-113.7 118.4 -3.1 13.0 -1.7 71 79 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 27,-0.2 -0.265 12.8-127.5 -65.7 151.9 -4.2 13.5 2.0 72 80 A F B -G 97 0C 6 25,-3.1 25,-0.8 27,-0.1 27,-0.1 -0.901 19.9-150.1-103.1 113.4 -3.0 11.4 4.9 73 81 A G > - 0 0 28 -2,-0.6 3,-2.3 23,-0.1 4,-0.2 -0.381 35.9 -98.2 -74.2 163.6 -5.8 9.9 7.0 74 82 A S G > S+ 0 0 106 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.858 125.8 54.4 -52.7 -38.1 -5.0 9.4 10.7 75 83 A Q G 3 S+ 0 0 139 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.487 101.1 61.4 -76.3 -1.3 -4.2 5.7 10.1 76 84 A D G < S+ 0 0 16 -3,-2.3 2,-0.5 2,-0.0 -1,-0.2 0.256 87.9 85.1-103.1 3.0 -1.6 6.7 7.3 77 85 A I S X S- 0 0 30 -3,-1.3 3,-0.5 -4,-0.2 2,-0.4 -0.954 70.8-143.8-112.9 120.4 0.6 8.7 9.8 78 86 A D T 3 S- 0 0 95 -2,-0.5 -2,-0.0 1,-0.2 -3,-0.0 -0.681 74.9 -12.1 -86.1 132.5 3.3 6.8 11.8 79 87 A Q T >> S+ 0 0 111 -2,-0.4 3,-2.1 1,-0.1 4,-0.5 0.830 70.1 172.4 47.3 49.6 4.0 7.9 15.3 80 88 A A G X4 + 0 0 34 -3,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.771 69.7 67.8 -55.5 -29.3 2.1 11.2 15.1 81 89 A E G 34 S+ 0 0 153 1,-0.2 -1,-0.3 230,-0.0 -2,-0.1 0.657 95.0 55.1 -68.3 -16.2 2.7 11.7 18.9 82 90 A D G <4 S+ 0 0 15 -3,-2.1 230,-2.6 2,-0.1 2,-0.3 0.651 88.5 95.7 -90.4 -16.4 6.4 12.2 18.5 83 91 A V B << S-I 311 0D 12 -3,-0.9 228,-0.2 -4,-0.5 5,-0.1 -0.579 92.2 -99.7 -79.5 130.3 6.0 15.0 15.9 84 92 A L >> - 0 0 1 226,-2.5 4,-2.3 -2,-0.3 3,-0.6 -0.253 32.4-131.1 -51.2 125.5 6.1 18.6 17.3 85 93 A P H 3> S+ 0 0 88 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.873 103.9 50.3 -46.4 -51.9 2.4 19.7 17.6 86 94 A F H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 253,-0.3 0.846 111.3 51.0 -62.0 -31.2 2.8 23.1 15.8 87 95 A A H <> S+ 0 0 0 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.920 110.0 48.3 -71.8 -45.2 4.5 21.3 12.9 88 96 A L H >< S+ 0 0 36 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.917 112.8 49.1 -61.3 -43.2 1.7 18.7 12.6 89 97 A Q H >< S+ 0 0 110 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.859 103.6 59.2 -65.2 -36.9 -0.9 21.5 12.7 90 98 A G H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.613 97.0 64.2 -68.4 -10.3 0.8 23.6 10.1 91 99 A A T << S+ 0 0 0 -3,-1.0 7,-3.1 -4,-0.5 8,-0.5 0.293 86.1 97.7 -95.8 8.8 0.5 20.6 7.7 92 100 A K E < +H 97 0C 74 -3,-1.5 2,-0.3 5,-0.3 5,-0.2 -0.762 39.6 164.9-103.8 147.9 -3.3 20.7 7.6 93 101 A R E > S+H 96 0C 28 3,-2.7 3,-2.5 -2,-0.3 -3,-0.0 -0.981 70.4 6.5-155.2 141.3 -5.8 22.2 5.1 94 102 A N T 3 S- 0 0 120 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.810 133.1 -58.6 55.5 27.9 -9.6 21.7 4.5 95 103 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.439 117.6 102.1 82.4 2.9 -9.4 19.6 7.7 96 104 A E E < S- H 0 93C 86 -3,-2.5 -3,-2.7 -23,-0.0 2,-0.6 -0.839 73.9-116.2-121.5 154.5 -6.9 17.1 6.4 97 105 A V E +GH 72 92C 14 -25,-0.8 -25,-3.1 -2,-0.3 -5,-0.3 -0.790 30.9 177.8 -85.6 120.3 -3.1 16.5 6.8 98 106 A Y + 0 0 25 -7,-3.1 2,-0.3 -2,-0.6 170,-0.3 0.407 58.8 23.5-107.9 3.7 -1.4 17.0 3.5 99 107 A G - 0 0 0 -8,-0.5 168,-0.2 -11,-0.1 -1,-0.2 -0.984 66.3-123.1-165.0 153.3 2.3 16.5 4.4 100 108 A L E -D 266 0A 9 166,-2.1 166,-2.7 -2,-0.3 2,-0.1 -0.916 37.7-120.2-104.8 115.1 4.6 14.9 6.9 101 109 A P E +D 265 0A 6 0, 0.0 164,-0.2 0, 0.0 209,-0.2 -0.302 43.6 157.6 -56.6 125.0 7.0 17.4 8.6 102 110 A Q E + 0 0 2 162,-2.5 208,-0.5 1,-0.4 2,-0.3 0.739 60.3 16.5-116.4 -46.1 10.7 16.6 8.0 103 111 A I E -DE 264 309A 4 161,-1.6 161,-2.9 206,-0.2 -1,-0.4 -0.988 57.7-162.4-136.9 144.8 12.8 19.7 8.5 104 112 A L E -DE 263 308A 0 204,-2.5 204,-1.0 -2,-0.3 2,-0.3 -0.917 10.5-164.1-123.8 153.1 12.2 23.1 10.2 105 113 A C E +D 262 0A 15 157,-1.9 157,-2.2 -2,-0.3 2,-0.3 -0.997 15.1 161.1-144.3 146.5 14.1 26.4 9.7 106 114 A T - 0 0 28 -2,-0.3 126,-0.6 155,-0.2 2,-0.2 -0.979 38.6-111.5-159.3 143.2 14.6 29.7 11.4 107 115 A N E -J 231 0E 47 -2,-0.3 143,-0.4 124,-0.2 2,-0.3 -0.552 37.9-168.5 -73.9 150.1 17.2 32.5 11.3 108 116 A L E -J 230 0E 2 122,-1.9 122,-1.6 -2,-0.2 2,-0.7 -0.942 26.0-109.4-137.1 156.8 19.2 32.9 14.6 109 117 A L E -JK 229 248E 0 139,-3.3 139,-1.2 -2,-0.3 2,-0.4 -0.822 33.6-162.8 -92.7 114.3 21.6 35.5 16.0 110 118 A F E +JK 228 247E 0 118,-3.2 118,-1.9 -2,-0.7 2,-0.3 -0.833 16.1 164.7 -98.8 131.0 25.2 34.2 16.0 111 119 A Y E - 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0 0 139 -5,-0.6 -1,-0.2 87,-0.1 -2,-0.1 -0.990 69.0-126.3-137.0 124.2 -1.9 38.0 15.0 172 180 A Y + 0 0 74 -2,-0.4 2,-0.3 -3,-0.1 86,-0.0 -0.408 32.7 174.8 -69.4 145.2 -0.9 34.8 13.3 173 181 A T - 0 0 57 168,-0.1 168,-0.4 -2,-0.1 -7,-0.1 -0.989 38.4-146.3-150.8 145.6 -2.3 34.1 9.8 174 182 A E - 0 0 48 -2,-0.3 -113,-0.1 166,-0.1 4,-0.1 0.310 47.1-126.0 -89.6 6.0 -1.9 31.5 7.0 175 183 A Y + 0 0 11 167,-0.2 168,-0.9 1,-0.1 -2,-0.0 0.814 48.8 163.2 51.4 41.9 -2.4 34.3 4.5 176 184 A D S S+ 0 0 87 1,-0.2 2,-0.5 167,-0.2 169,-0.2 0.848 83.2 39.5 -54.0 -30.4 -5.3 32.5 2.7 177 185 A L S S- 0 0 153 166,-0.1 -1,-0.2 167,-0.1 -2,-0.1 -0.987 96.5-140.4-118.9 115.5 -5.8 36.1 1.4 178 186 A L - 0 0 25 -2,-0.5 -2,-0.0 1,-0.1 164,-0.0 -0.555 25.5-102.6 -80.0 147.1 -2.4 37.8 0.7 179 187 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.182 39.9 -87.2 -68.6 155.8 -2.0 41.5 1.7 180 188 A P - 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.308 24.2-154.0 -62.5 141.9 -2.0 44.6 -0.7 181 189 A L S S+ 0 0 31 3,-0.1 3,-0.2 1,-0.0 168,-0.0 0.571 85.0 64.3 -91.3 -15.1 1.3 45.5 -2.3 182 190 A D S S+ 0 0 145 1,-0.3 2,-1.9 2,-0.0 -1,-0.0 0.985 97.9 43.2 -77.3 -76.8 0.2 49.1 -2.6 183 191 A P S S- 0 0 104 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.578 90.8-161.6 -71.3 95.2 -0.2 50.6 0.8 184 192 A L - 0 0 30 -2,-1.9 2,-0.5 -3,-0.2 -3,-0.1 -0.556 24.5-102.5 -76.0 143.9 3.0 48.9 2.0 185 193 A N > - 0 0 48 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.594 28.8-158.5 -73.2 118.4 3.4 48.6 5.8 186 194 A D H > S+ 0 0 114 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.839 87.5 55.1 -64.3 -42.9 5.9 51.2 6.9 187 195 A K H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 110.4 47.5 -58.2 -44.6 7.0 49.6 10.2 188 196 A V H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 111.9 49.6 -65.8 -37.3 8.0 46.4 8.3 189 197 A I H X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.918 108.2 52.5 -69.3 -42.3 9.9 48.4 5.6 190 198 A R H X S+ 0 0 141 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.854 109.5 51.6 -61.3 -34.7 11.8 50.4 8.2 191 199 A G H X S+ 0 0 7 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.928 109.4 47.5 -68.5 -45.1 12.9 47.1 9.9 192 200 A L H X S+ 0 0 7 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.825 111.0 52.4 -65.7 -32.9 14.1 45.5 6.7 193 201 A R H X S+ 0 0 118 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.838 103.0 58.6 -71.9 -31.6 16.1 48.7 5.8 194 202 A L H X S+ 0 0 25 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.870 104.0 51.9 -63.6 -39.4 17.7 48.6 9.3 195 203 A L H X S+ 0 0 12 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.900 111.2 46.4 -64.3 -40.5 19.1 45.2 8.5 196 204 A I H X S+ 0 0 22 -4,-1.3 4,-3.2 1,-0.2 -2,-0.2 0.903 109.8 54.1 -68.2 -42.1 20.6 46.4 5.2 197 205 A N H < S+ 0 0 68 -4,-2.4 -63,-2.6 1,-0.2 -1,-0.2 0.874 111.3 46.1 -60.0 -38.5 22.1 49.5 6.9 198 206 A M H < S+ 0 0 0 -4,-1.8 -51,-1.6 -65,-0.3 -1,-0.2 0.776 122.1 35.4 -76.3 -27.4 23.8 47.2 9.5 199 207 A A H < S- 0 0 2 -4,-1.4 -2,-0.2 -53,-0.2 -3,-0.2 0.689 109.7-112.7-100.8 -23.9 25.2 44.8 6.8 200 208 A G X - 0 0 4 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.1 -0.009 23.5-100.8 99.8 149.5 26.0 47.0 3.9 201 209 A E H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.1 5,-0.2 0.981 116.1 39.1 -71.3 -60.6 24.2 46.9 0.5 202 210 A K H > S+ 0 0 143 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.896 116.5 52.0 -57.9 -44.3 26.5 44.9 -1.7 203 211 A P H 4 S+ 0 0 7 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.893 111.7 46.6 -61.9 -36.6 27.4 42.5 1.1 204 212 A S H < S+ 0 0 0 -4,-1.3 -53,-2.1 1,-0.2 -2,-0.2 0.754 117.5 42.5 -76.7 -23.7 23.7 41.8 1.8 205 213 A Q H < S+ 0 0 64 -4,-1.6 -1,-0.2 -3,-0.2 -3,-0.1 0.417 86.2 127.9-101.5 0.1 22.8 41.3 -1.8 206 214 A Y < - 0 0 83 -4,-0.9 -54,-0.2 -3,-0.4 -55,-0.1 -0.288 37.1-169.2 -64.0 136.9 25.8 39.3 -2.8 207 215 A V - 0 0 104 -57,-0.0 2,-0.3 -2,-0.0 6,-0.1 -0.995 21.9-129.4-128.1 120.2 25.4 36.0 -4.6 208 216 A P > - 0 0 16 0, 0.0 3,-2.4 0, 0.0 7,-0.0 -0.557 15.9-131.0 -71.1 133.2 28.4 33.6 -5.1 209 217 A E T 3 S+ 0 0 187 1,-0.3 0, 0.0 -2,-0.3 0, 0.0 0.681 108.3 53.3 -58.5 -17.9 28.8 32.5 -8.7 210 218 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.407 112.8-120.3 -95.8 0.4 29.2 28.9 -7.5 211 219 A G < + 0 0 56 -3,-2.4 2,-0.8 1,-0.2 -2,-0.1 0.816 46.4 171.0 66.9 32.8 25.9 29.1 -5.6 212 220 A D > - 0 0 34 1,-0.2 3,-0.9 2,-0.0 -1,-0.2 -0.676 15.9-168.4 -78.5 109.8 27.4 28.3 -2.2 213 221 A A T 3 S+ 0 0 69 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.611 81.6 51.2 -75.4 -11.7 24.5 29.0 0.2 214 222 A Y T >> S+ 0 0 35 1,-0.1 4,-0.9 2,-0.1 3,-0.6 0.145 70.5 112.4-114.8 24.6 26.7 28.8 3.3 215 223 A V H <> S+ 0 0 19 -3,-0.9 4,-1.5 1,-0.2 3,-0.4 0.844 72.8 58.5 -66.1 -35.2 29.5 31.2 2.4 216 224 A R H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 101.5 56.7 -66.1 -28.1 28.7 33.8 5.0 217 225 A A H <> S+ 0 0 1 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.836 106.2 50.1 -69.8 -33.4 29.1 31.2 7.7 218 226 A S H X S+ 0 0 25 -4,-0.9 4,-1.2 -3,-0.4 -2,-0.2 0.807 108.4 52.2 -73.8 -32.3 32.7 30.6 6.5 219 227 A W H X>S+ 0 0 39 -4,-1.5 5,-2.3 2,-0.2 4,-0.6 0.912 109.0 50.4 -68.9 -42.5 33.5 34.3 6.5 220 228 A F H ><5S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.916 108.9 50.4 -61.4 -45.2 32.3 34.6 10.1 221 229 A A H 3<5S+ 0 0 32 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 108.4 54.8 -63.9 -29.9 34.4 31.6 11.3 222 230 A Q H 3<5S- 0 0 177 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.587 130.5 -90.8 -79.6 -13.5 37.4 33.2 9.6 223 231 A G T <<5S+ 0 0 14 -3,-1.1 -79,-2.0 -4,-0.6 -3,-0.2 0.300 78.6 138.2 123.3 -10.6 37.0 36.5 11.5 224 232 A S B < -L 143 0E 11 -5,-2.3 -1,-0.3 -81,-0.3 -81,-0.2 -0.430 58.3 -0.7 -72.1 139.9 34.7 38.6 9.3 225 233 A G E - m 0 143E 0 -83,-2.2 -81,-0.6 -80,-0.3 -79,-0.2 0.219 65.4-113.8 69.8 164.7 31.9 40.7 10.9 226 234 A R E S+ 0 0 54 -80,-2.5 -114,-0.5 1,-0.3 2,-0.3 0.716 95.2 22.5-103.1 -33.7 30.8 41.0 14.5 227 235 A A E - m 0 147E 0 -81,-1.8 -79,-2.4 -116,-0.1 2,-0.4 -0.946 63.1-162.1-134.3 153.3 27.4 39.4 14.3 228 236 A F E -Jm 110 148E 7 -118,-1.9 -118,-3.2 -2,-0.3 2,-0.6 -0.981 3.7-161.7-141.2 123.0 25.8 36.9 11.8 229 237 A I E +Jm 109 149E 10 -81,-2.7 -79,-0.6 -2,-0.4 2,-0.3 -0.941 39.8 121.2-107.2 117.4 22.1 36.1 11.3 230 238 A G E -J 108 0E 8 -122,-1.6 -122,-1.9 -2,-0.6 -2,-0.1 -0.970 61.0 -66.9-162.6 172.9 21.5 32.8 9.5 231 239 A Y E > -J 107 0E 72 -2,-0.3 3,-1.5 -124,-0.2 4,-0.2 -0.172 48.0-109.2 -66.0 160.9 19.9 29.4 9.7 232 240 A S T > S+ 0 0 0 -126,-0.6 3,-2.2 1,-0.3 4,-0.1 0.877 115.0 68.6 -59.2 -36.7 21.0 26.8 12.2 233 241 A E T >> S+ 0 0 6 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.615 75.9 85.3 -56.4 -20.3 22.5 24.7 9.4 234 242 A S H <> S+ 0 0 7 -3,-1.5 4,-0.8 1,-0.3 3,-0.3 0.742 77.1 71.3 -52.8 -26.0 25.1 27.4 9.0 235 243 A M H <> S+ 0 0 1 -3,-2.2 4,-0.9 1,-0.2 7,-0.3 0.751 83.1 64.1 -66.1 -26.8 27.0 25.6 11.7 236 244 A M H X4 S+ 0 0 36 -3,-1.6 3,-0.7 69,-0.5 -1,-0.2 0.920 104.6 48.8 -61.9 -41.8 28.0 22.6 9.6 237 245 A R H 3< S+ 0 0 92 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.759 102.4 61.0 -67.5 -29.4 30.1 24.9 7.5 238 246 A M H >< S+ 0 0 10 -4,-0.8 3,-2.1 1,-0.2 -1,-0.2 0.751 82.4 171.1 -70.2 -22.0 31.7 26.5 10.6 239 247 A G G X< + 0 0 9 -4,-0.9 3,-1.1 -3,-0.7 4,-0.3 -0.307 67.2 11.6 55.4-117.1 33.0 23.0 11.3 240 248 A D G > S+ 0 0 120 1,-0.2 3,-0.9 -2,-0.2 -1,-0.3 0.804 128.5 60.6 -60.2 -33.5 35.5 23.1 14.2 241 249 A Y G X> S+ 0 0 47 -3,-2.1 3,-1.9 1,-0.2 4,-0.9 0.692 78.3 86.0 -71.6 -20.9 34.4 26.7 14.9 242 250 A A G <4 S+ 0 0 3 -3,-1.1 3,-0.5 -7,-0.3 -1,-0.2 0.821 87.0 56.1 -51.1 -31.3 30.8 25.7 15.6 243 251 A E G <4 S+ 0 0 102 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.740 104.5 53.1 -74.0 -23.2 31.8 24.9 19.2 244 252 A Q T <4 S+ 0 0 78 -3,-1.9 -131,-1.3 -4,-0.2 -1,-0.2 0.618 95.4 81.5 -89.5 -14.9 33.2 28.5 19.7 245 253 A V E < -K 112 0E 6 -4,-0.9 2,-0.3 -3,-0.5 -133,-0.2 -0.504 61.7-151.2 -90.0 162.6 30.1 30.4 18.6 246 254 A R E -K 111 0E 105 -135,-2.8 -135,-2.3 -2,-0.2 2,-0.3 -0.886 16.0-174.4-125.2 156.6 27.0 31.3 20.6 247 255 A F E +K 110 0E 24 -2,-0.3 -137,-0.2 -137,-0.2 -128,-0.0 -0.988 10.8 170.9-152.9 159.0 23.5 31.8 19.2 248 256 A K E -K 109 0E 35 -139,-1.2 -139,-3.3 -2,-0.3 2,-0.1 -0.971 41.8 -87.4-164.4 154.6 19.9 32.8 20.2 249 257 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 -141,-0.2 -0.429 41.7-158.4 -68.6 144.9 16.5 33.6 18.5 250 258 A I - 0 0 29 -143,-0.4 -127,-0.2 -2,-0.1 2,-0.2 -0.994 4.0-144.2-133.6 128.8 16.1 37.3 17.5 251 259 A S B -n 123 0F 14 -129,-2.6 -127,-1.8 -2,-0.4 -87,-0.0 -0.541 15.0-134.8 -88.0 154.8 12.9 39.2 16.9 252 260 A S S S+ 0 0 39 -129,-0.2 2,-0.3 -2,-0.2 -129,-0.1 0.288 87.4 9.5 -91.8 12.1 12.3 41.9 14.3 253 261 A S S S- 0 0 9 -131,-0.2 2,-0.8 -129,-0.0 -2,-0.1 -0.972 85.7 -89.5-172.9 169.8 10.5 44.1 16.8 254 262 A A S S+ 0 0 88 -2,-0.3 2,-0.2 -131,-0.1 -131,-0.0 -0.871 89.8 59.6 -95.7 109.4 9.7 44.6 20.5 255 263 A G S S- 0 0 75 -2,-0.8 3,-0.1 -85,-0.0 -87,-0.1 -0.603 106.0 -24.3-178.8-116.4 6.4 42.8 21.1 256 264 A Q - 0 0 135 -89,-0.4 2,-3.0 -2,-0.2 -88,-0.1 0.520 59.8-167.6-106.9 -11.8 4.9 39.3 20.9 257 265 A D - 0 0 48 -90,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.280 11.5-151.0 58.1 -64.9 7.3 38.0 18.2 258 266 A I - 0 0 11 -2,-3.0 2,-0.3 1,-0.1 -1,-0.2 0.960 25.1-120.0 59.2 84.2 5.3 34.8 17.4 259 267 A P - 0 0 19 0, 0.0 79,-2.7 0, 0.0 2,-0.4 -0.436 32.0-158.9 -60.7 117.2 8.2 32.6 16.3 260 268 A L E -o 338 0G 12 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.808 6.4-165.1-100.7 142.4 7.7 31.5 12.7 261 269 A F E -o 339 0G 2 77,-2.3 79,-3.0 -2,-0.4 2,-0.3 -0.983 20.6-129.9-130.1 136.0 9.3 28.5 11.1 262 270 A Y E - D 0 105A 17 -157,-2.2 -157,-1.9 -2,-0.4 2,-0.5 -0.615 31.3-156.4 -75.8 140.7 9.8 27.4 7.5 263 271 A S E - D 0 104A 2 77,-0.4 -206,-2.6 -2,-0.3 2,-0.7 -0.962 12.4-156.8-130.2 119.4 8.6 23.7 7.3 264 272 A D E -CD 56 103A 4 -161,-2.9 -162,-2.5 -2,-0.5 -161,-1.6 -0.840 24.2-170.7 -94.3 113.3 9.7 21.2 4.7 265 273 A V E -CD 55 101A 1 -210,-2.2 -210,-2.4 -2,-0.7 2,-0.6 -0.812 23.0-125.2-110.1 152.0 7.1 18.5 4.4 266 274 A V E +CD 54 100A 0 -166,-2.7 -166,-2.1 -2,-0.3 2,-0.3 -0.813 37.1 177.8 -95.0 120.9 6.9 15.1 2.6 267 275 A S E -C 53 0A 0 -214,-3.0 -214,-2.1 -2,-0.6 2,-0.4 -0.794 23.8-129.8-124.1 166.0 3.9 14.7 0.3 268 276 A V E -C 52 0A 0 -198,-0.5 -198,-1.7 -170,-0.3 2,-0.2 -0.921 28.6-111.6-116.5 140.9 2.4 12.2 -2.1 269 277 A N B > -F 69 0B 1 -218,-2.2 3,-1.8 -2,-0.4 -200,-0.2 -0.483 15.7-139.6 -70.7 130.0 1.2 12.9 -5.7 270 278 A S T 3 S+ 0 0 37 -202,-3.4 -201,-0.1 1,-0.3 -1,-0.1 0.794 104.8 54.0 -61.5 -22.4 -2.6 12.6 -6.1 271 279 A K T 3 S+ 0 0 144 -203,-0.4 -1,-0.3 -221,-0.1 -220,-0.1 0.411 78.1 130.9 -92.2 0.9 -1.9 10.9 -9.4 272 280 A T < - 0 0 15 -3,-1.8 -223,-0.1 -221,-0.2 -222,-0.0 -0.224 52.1-148.0 -58.1 141.0 0.5 8.2 -8.1 273 281 A A S S+ 0 0 81 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.574 94.2 52.8 -84.4 -9.9 -0.3 4.6 -9.2 274 282 A H > + 0 0 63 1,-0.1 4,-2.7 2,-0.1 -1,-0.2 -0.543 64.6 164.1-128.2 70.8 0.9 3.2 -5.8 275 283 A P H > S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.859 76.6 38.6 -54.5 -50.6 -0.9 5.2 -3.1 276 284 A E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.897 118.5 48.4 -72.6 -38.3 -0.2 2.9 -0.0 277 285 A L H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.2 50.5 -66.9 -38.9 3.4 2.2 -1.1 278 286 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.894 109.9 49.7 -65.3 -41.9 3.9 5.9 -1.6 279 287 A K H X S+ 0 0 24 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.806 108.2 54.5 -66.0 -31.2 2.5 6.7 1.8 280 288 A K H X S+ 0 0 75 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.930 110.1 45.7 -69.3 -44.2 4.8 4.0 3.3 281 289 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.881 107.7 57.5 -65.4 -39.6 7.9 5.7 1.7 282 290 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.892 106.9 49.6 -57.9 -39.3 6.7 9.2 2.8 283 291 A N H X S+ 0 0 10 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.879 109.1 52.1 -67.9 -37.5 6.7 7.9 6.4 284 292 A V H >< S+ 0 0 4 -4,-1.6 3,-1.5 1,-0.2 6,-0.4 0.970 107.1 51.2 -64.6 -50.1 10.2 6.5 6.0 285 293 A M H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 118.5 39.3 -58.6 -27.9 11.7 9.7 4.7 286 294 A A H 3< S+ 0 0 2 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.412 90.7 117.8-102.3 0.7 10.2 11.5 7.7 287 295 A S S S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.823 111.4 56.9 -61.2 -35.0 13.1 9.6 13.3 289 297 A D H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 109.1 41.0 -67.0 -47.4 15.6 6.9 12.2 290 298 A T H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.907 114.7 51.6 -71.6 -35.5 16.3 8.3 8.7 291 299 A V H X S+ 0 0 5 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.918 110.3 48.9 -66.1 -40.9 16.5 11.9 9.7 292 300 A E H X S+ 0 0 46 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.912 112.3 49.5 -63.2 -41.6 19.0 11.1 12.5 293 301 A Q H < S+ 0 0 45 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.3 50.4 -65.5 -36.2 21.1 9.2 10.0 294 302 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 112.7 46.1 -73.7 -28.8 21.0 12.0 7.5 295 303 A L H < S+ 0 0 2 -4,-1.6 10,-1.9 -5,-0.2 11,-0.3 0.778 97.0 85.1 -85.0 -30.3 22.1 14.6 10.1 296 304 A R S < S- 0 0 48 -4,-1.7 7,-0.1 8,-0.2 2,-0.1 -0.439 93.6 -94.8 -74.3 148.1 25.0 12.6 11.6 297 305 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.358 36.2-171.1 -60.8 134.8 28.5 12.6 10.0 298 306 A Q + 0 0 106 5,-0.2 2,-0.3 -4,-0.1 -2,-0.0 0.341 61.5 22.6-116.9 10.4 28.9 9.7 7.6 299 307 A A S > S- 0 0 58 4,-0.0 3,-1.6 0, 0.0 -1,-0.1 -0.964 96.5 -67.2-162.9 165.8 32.6 9.8 6.7 300 308 A D T 3 S+ 0 0 170 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.358 118.0 23.1 -64.7 138.9 35.9 11.1 8.1 301 309 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.269 95.9 129.4 89.7 -11.1 36.2 14.9 8.2 302 310 A Q < - 0 0 65 -3,-1.6 -1,-0.3 -63,-0.0 3,-0.0 -0.516 41.2-158.3 -83.6 147.8 32.4 15.3 8.2 303 311 A Y - 0 0 94 -2,-0.2 -5,-0.2 1,-0.1 -67,-0.1 -0.732 34.6 -83.7-117.0 162.3 30.4 17.4 10.6 304 312 A P - 0 0 5 0, 0.0 -8,-0.2 0, 0.0 -65,-0.1 -0.309 34.9-127.4 -63.5 152.6 26.7 17.2 11.6 305 313 A Q - 0 0 0 -10,-1.9 -69,-0.5 2,-0.1 -68,-0.2 0.766 27.1-144.9 -73.5 -22.3 24.3 19.1 9.2 306 314 A Y + 0 0 5 -11,-0.3 -71,-0.2 1,-0.2 2,-0.2 0.710 43.2 150.7 62.8 26.9 22.8 21.1 12.1 307 315 A L - 0 0 4 -74,-0.1 -1,-0.2 -75,-0.1 -202,-0.1 -0.528 51.9-108.0 -82.4 152.7 19.3 21.1 10.5 308 316 A L E -E 104 0A 4 -204,-1.0 -204,-2.5 -2,-0.2 -1,-0.1 -0.758 31.4-148.3 -90.2 115.0 16.3 21.2 12.8 309 317 A P E -E 103 0A 2 0, 0.0 -206,-0.2 0, 0.0 -207,-0.1 -0.271 8.6-141.3 -73.0 167.7 14.3 17.9 13.0 310 318 A A S S+ 0 0 2 -208,-0.5 -226,-2.5 -209,-0.2 2,-0.4 0.309 77.3 75.3-113.1 3.8 10.5 17.9 13.5 311 319 A R B >> S-I 83 0D 17 -228,-0.2 4,-0.8 -209,-0.2 3,-0.8 -0.936 73.7-136.7-119.4 140.9 10.3 14.8 15.9 312 320 A H H >> S+ 0 0 54 -230,-2.6 4,-1.8 -2,-0.4 3,-0.6 0.904 100.2 65.6 -59.1 -43.9 11.3 14.8 19.6 313 321 A Q H 3> S+ 0 0 96 1,-0.2 4,-1.7 -231,-0.2 -1,-0.2 0.741 97.2 55.2 -52.6 -27.9 13.1 11.4 19.3 314 322 A V H <> S+ 0 0 2 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.881 106.5 48.8 -76.5 -38.7 15.8 12.9 16.9 315 323 A Y H < - 0 0 53 -4,-1.9 3,-1.9 1,-0.1 -1,-0.3 -0.761 64.2-173.4-134.9 86.2 26.5 16.8 19.9 323 331 A P T >> S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.586 77.7 77.4 -54.7 -14.0 25.5 19.1 22.8 324 332 A I H >> S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.874 84.7 64.4 -66.2 -32.7 24.6 21.9 20.3 325 333 A Y H <> S+ 0 0 1 -3,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.584 90.0 66.8 -66.6 -10.2 21.3 20.0 19.7 326 334 A S H <> S+ 0 0 59 -3,-1.2 4,-1.3 -7,-0.2 -1,-0.2 0.882 103.8 42.6 -78.4 -38.6 20.3 20.6 23.3 327 335 A E H < S+ 0 0 25 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.890 112.4 50.2 -64.3 -40.2 14.2 26.9 20.8 332 340 A V H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.691 103.8 58.9 -74.8 -20.3 12.1 24.4 18.8 333 341 A N T 3< S+ 0 0 73 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.314 70.4 132.4 -96.5 12.9 9.9 23.5 21.8 334 342 A K X - 0 0 93 -3,-0.9 3,-1.6 -4,-0.1 -3,-0.0 -0.423 59.4-132.4 -66.1 131.2 8.5 27.0 22.6 335 343 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.802 102.3 53.5 -53.4 -35.4 4.7 26.9 23.1 336 344 A S T 3 S+ 0 0 54 2,-0.0 -2,-0.1 -76,-0.0 -3,-0.0 0.500 79.0 126.3 -84.2 -2.4 4.1 30.0 20.8 337 345 A N < - 0 0 1 -3,-1.6 2,-0.3 -79,-0.1 -77,-0.2 -0.184 36.4-173.9 -58.1 149.0 6.0 28.6 17.7 338 346 A R E -o 260 0G 97 -79,-2.7 -77,-2.3 -80,-0.0 2,-0.3 -0.987 26.3-111.6-146.7 152.6 4.2 28.5 14.3 339 347 A V E -o 261 0G 2 -253,-0.3 2,-0.8 -2,-0.3 -77,-0.2 -0.638 34.0-120.4 -85.5 135.2 4.7 27.3 10.8 340 348 A F + 0 0 0 -79,-3.0 -77,-0.4 -2,-0.3 2,-0.3 -0.695 41.7 175.2 -81.0 110.1 5.1 30.0 8.1 341 349 A R - 0 0 0 -2,-0.8 2,-0.3 -168,-0.4 -283,-0.2 -0.902 14.9-160.3-118.3 148.3 2.3 29.5 5.5 342 350 A L - 0 0 1 -285,-0.5 -281,-0.5 -284,-0.4 -280,-0.3 -0.941 27.6 -95.2-128.8 150.5 1.2 31.5 2.4 343 351 A G > - 0 0 0 -168,-0.9 3,-1.4 -2,-0.3 -281,-0.3 0.074 39.2 -97.9 -59.0 169.0 -2.0 31.6 0.4 344 352 A P T 3 S+ 0 0 19 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.623 120.6 60.2 -61.5 -19.1 -3.0 29.7 -2.8 345 353 A E T 3> + 0 0 130 -169,-0.2 4,-2.2 1,-0.2 3,-0.4 0.103 67.6 126.2-100.0 25.0 -2.0 32.7 -4.9 346 354 A V H <> + 0 0 1 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.855 66.9 53.3 -45.4 -58.3 1.7 32.7 -3.8 347 355 A R H > S+ 0 0 59 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 112.5 42.3 -50.9 -46.8 3.3 32.6 -7.2 348 356 A T H > S+ 0 0 73 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.936 114.5 51.3 -67.9 -46.4 1.5 35.6 -8.6 349 357 A W H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.872 108.0 53.3 -58.1 -39.5 1.9 37.6 -5.4 350 358 A L H X S+ 0 0 19 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.881 108.0 50.2 -63.7 -39.3 5.6 36.9 -5.5 351 359 A K H X S+ 0 0 154 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.917 112.7 47.0 -63.2 -45.7 5.9 38.2 -9.0 352 360 A D H >< S+ 0 0 88 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.870 108.2 54.4 -63.7 -42.0 4.1 41.4 -8.1 353 361 A A H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-1.4 0.809 98.8 64.1 -63.8 -30.2 6.2 41.9 -4.9 354 362 A K H 3< S+ 0 0 111 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 98.5 54.8 -66.4 -23.1 9.4 41.8 -7.0 355 363 A Q T << S+ 0 0 149 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.425 121.5 26.5 -90.3 0.8 8.3 45.0 -8.9 356 364 A V T <> S+ 0 0 47 -3,-1.4 4,-1.4 -4,-0.2 -2,-0.2 0.626 105.5 67.2-134.9 -27.9 7.8 47.0 -5.7 357 365 A L H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 5,-0.1 0.898 97.0 51.6 -69.4 -47.0 10.0 45.7 -2.8 358 366 A P H > S+ 0 0 56 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.920 111.3 49.2 -57.9 -42.5 13.6 46.6 -4.1 359 367 A E H >4 S+ 0 0 163 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.890 111.8 48.7 -61.8 -42.9 12.6 50.2 -4.8 360 368 A A H 3< S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.767 111.1 51.4 -68.1 -28.3 11.0 50.5 -1.3 361 369 A L H 3< 0 0 12 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.472 360.0 360.0 -89.4 -3.8 14.2 49.1 0.2 362 370 A G << 0 0 73 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.635 360.0 360.0 80.8 360.0 16.6 51.4 -1.6