==== 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 ISOMERASE 08-SEP-00 1FS6 . COMPND 2 MOLECULE: GLUCOSAMINE-6-PHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.RUDINO-PINERA,S.MORALES-ARRIETA,S.P.ROJAS-TREJO,E.HORJALES . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 3 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A M 0 0 89 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 156.6 75.0 28.6 16.3 2 2 A R E -a 236 0A 71 233,-1.7 235,-2.7 2,-0.0 2,-0.5 -0.946 360.0-161.4-122.0 144.4 78.4 27.1 17.2 3 3 A L E -a 237 0A 0 -2,-0.4 235,-0.2 233,-0.2 256,-0.1 -0.963 0.9-165.0-128.8 111.7 80.3 27.9 20.3 4 4 A I E -a 238 0A 0 233,-3.4 235,-2.6 -2,-0.5 2,-0.8 -0.829 11.3-161.6 -97.3 98.1 84.0 27.0 20.3 5 5 A P E +a 239 0A 7 0, 0.0 2,-0.2 0, 0.0 235,-0.2 -0.738 20.6 163.7 -86.2 108.0 85.1 27.2 23.9 6 6 A L - 0 0 8 233,-2.9 3,-0.0 -2,-0.8 250,-0.0 -0.688 39.0-127.5-115.6 170.7 88.9 27.5 24.2 7 7 A T S S+ 0 0 74 233,-0.3 234,-1.5 -2,-0.2 2,-0.2 0.903 79.8 31.6 -87.0 -45.5 91.2 28.5 27.0 8 8 A T S > S- 0 0 62 232,-0.2 4,-2.1 233,-0.1 5,-0.1 -0.707 70.3-120.3-117.8 167.2 93.4 31.2 25.6 9 9 A A H > S+ 0 0 33 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.814 115.6 58.9 -69.0 -32.8 93.4 34.0 23.1 10 10 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 108.1 45.4 -63.4 -40.9 96.3 32.2 21.3 11 11 A Q H > S+ 0 0 47 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.895 110.5 53.0 -67.1 -44.5 94.0 29.2 20.9 12 12 A V H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.940 110.8 48.2 -57.4 -46.2 91.1 31.3 19.7 13 13 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.907 112.3 47.6 -60.8 -44.5 93.4 32.9 17.1 14 14 A K H X S+ 0 0 64 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.914 115.7 45.6 -63.2 -43.2 94.7 29.5 16.0 15 15 A W H X S+ 0 0 6 -4,-3.1 4,-2.2 251,-0.2 -2,-0.2 0.954 115.4 45.1 -65.9 -50.8 91.2 28.1 15.8 16 16 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.926 114.9 48.7 -57.8 -48.4 89.7 31.1 14.0 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.914 111.2 49.9 -59.0 -45.3 92.6 31.3 11.6 18 18 A R H X S+ 0 0 58 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.872 109.0 52.5 -63.1 -38.1 92.4 27.6 10.8 19 19 A H H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.923 111.2 46.2 -64.1 -44.1 88.7 27.9 10.1 20 20 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 113.1 49.9 -62.1 -49.8 89.3 30.8 7.7 21 21 A V H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.919 112.4 47.7 -54.4 -47.0 92.1 28.8 6.0 22 22 A N H X S+ 0 0 86 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.914 109.7 51.6 -63.1 -43.5 89.9 25.8 5.7 23 23 A R H X S+ 0 0 90 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.887 113.4 46.9 -60.6 -38.8 87.0 27.7 4.3 24 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 3,-0.3 0.954 111.5 47.1 -69.1 -52.1 89.3 29.2 1.7 25 25 A N H < S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.837 113.8 49.7 -60.9 -31.8 91.0 26.0 0.6 26 26 A A H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.811 111.7 47.9 -76.4 -30.2 87.7 24.3 0.3 27 27 A F H < S- 0 0 41 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.882 92.9-154.5 -76.0 -38.7 86.2 27.1 -1.8 28 28 A K < - 0 0 149 -4,-2.8 -3,-0.1 -5,-0.1 -4,-0.1 0.998 16.8-145.8 58.3 71.6 89.3 27.2 -4.0 29 29 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 37,-0.1 -0.290 19.0-172.4 -68.4 149.3 89.0 30.8 -5.1 30 30 A T - 0 0 64 3,-2.4 5,-0.1 35,-0.1 -2,-0.0 -0.705 43.4 -91.1-130.1-177.1 90.0 32.0 -8.6 31 31 A A S S+ 0 0 74 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 0.840 130.3 37.9 -67.4 -32.9 90.4 35.3 -10.3 32 32 A D S S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.0 33,-0.0 0.647 127.3 36.3 -92.1 -17.5 86.8 35.2 -11.4 33 33 A R S S+ 0 0 115 -5,-0.0 -3,-2.4 2,-0.0 -1,-0.2 -0.677 80.1 177.4-136.2 80.0 85.5 33.6 -8.2 34 34 A P - 0 0 22 0, 0.0 2,-0.6 0, 0.0 32,-0.2 -0.384 34.7-113.3 -81.6 161.2 87.4 35.0 -5.2 35 35 A F E -b 66 0A 7 30,-2.0 32,-2.5 -2,-0.1 2,-0.5 -0.865 32.0-144.7 -93.8 121.6 86.7 34.2 -1.6 36 36 A V E -b 67 0A 2 -2,-0.6 96,-1.6 94,-0.3 97,-1.3 -0.823 16.3-167.3 -94.0 125.4 85.4 37.3 0.1 37 37 A L E -bc 68 133A 0 30,-3.4 32,-2.4 -2,-0.5 2,-0.4 -0.944 12.1-149.7-117.8 127.2 86.5 37.8 3.7 38 38 A G E -bc 69 134A 0 95,-3.0 97,-2.3 -2,-0.4 32,-0.2 -0.774 25.4-165.0 -92.3 138.7 85.0 40.3 6.2 39 39 A L E -b 70 0A 0 30,-2.6 32,-2.4 -2,-0.4 2,-0.2 -0.956 16.5-156.3-136.3 148.4 87.5 41.6 8.8 40 40 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.654 11.7-146.9-107.9 165.8 87.8 43.4 12.1 41 41 A T + 0 0 20 -2,-0.2 3,-0.2 3,-0.0 2,-0.2 -0.727 47.9 70.4-124.3 175.6 90.6 45.4 13.7 42 42 A G S S- 0 0 26 -2,-0.2 4,-0.3 1,-0.2 0, 0.0 -0.555 95.1 -52.1 111.7-179.4 91.7 45.8 17.4 43 43 A G S > S+ 0 0 44 -2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.824 123.0 64.7 -68.1 -33.1 93.2 43.7 20.1 44 44 A T T > S+ 0 0 36 1,-0.2 3,-0.5 -3,-0.2 4,-0.3 0.933 102.0 45.5 -57.9 -53.1 90.7 40.8 19.7 45 45 A P T 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.557 88.4 100.7 -70.0 -4.5 91.7 39.8 16.1 46 46 A M H <> S+ 0 0 59 -3,-0.9 4,-1.9 -4,-0.3 -2,-0.1 0.888 81.6 40.8 -46.6 -59.5 95.4 40.0 17.1 47 47 A T H <> S+ 0 0 25 -3,-0.5 4,-1.8 -4,-0.4 -1,-0.2 0.772 113.8 55.8 -65.5 -26.0 96.1 36.3 17.6 48 48 A T H > S+ 0 0 0 -3,-0.5 4,-2.9 -4,-0.3 -1,-0.2 0.926 108.3 45.5 -71.7 -45.7 94.0 35.3 14.6 49 49 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.871 113.1 52.8 -63.5 -36.3 96.0 37.6 12.2 50 50 A K H X S+ 0 0 104 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.897 112.6 43.5 -65.3 -41.3 99.2 36.2 13.8 51 51 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.887 111.2 54.4 -71.4 -41.2 98.0 32.6 13.2 52 52 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.895 108.8 49.1 -58.1 -43.5 96.8 33.4 9.6 53 53 A V H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.913 110.4 50.9 -64.0 -43.0 100.2 34.8 8.8 54 54 A E H X S+ 0 0 89 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.953 110.0 48.3 -59.4 -52.6 102.0 31.7 10.2 55 55 A M H <>S+ 0 0 23 -4,-2.7 5,-3.5 1,-0.2 6,-0.5 0.859 112.2 50.5 -57.1 -38.0 99.8 29.4 8.2 56 56 A H H ><5S+ 0 0 33 -4,-1.9 3,-1.9 4,-0.2 5,-0.2 0.936 111.3 46.3 -65.9 -48.3 100.5 31.4 5.1 57 57 A K H 3<5S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.817 107.8 58.2 -63.1 -30.1 104.2 31.4 5.6 58 58 A A T 3<5S- 0 0 66 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.447 122.1-114.5 -77.5 0.2 103.9 27.7 6.3 59 59 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.745 82.4 123.6 72.7 27.6 102.4 27.6 2.8 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.7 1,-0.2 34,-0.1 0.110 58.5 117.5-108.1 18.9 95.3 35.2 -0.3 64 64 A K T 3 S+ 0 0 112 1,-0.3 -1,-0.2 35,-0.2 -34,-0.0 0.797 88.5 27.5 -54.0 -33.5 96.0 35.8 -4.0 65 65 A H T 3 S+ 0 0 69 -3,-0.3 -30,-2.0 -36,-0.1 2,-0.4 -0.132 96.0 110.5-125.7 36.9 92.3 35.4 -4.7 66 66 A V E < -b 35 0A 0 -3,-1.7 2,-0.5 -32,-0.2 -30,-0.2 -0.940 50.6-157.6-112.1 132.1 90.8 36.5 -1.5 67 67 A V E -b 36 0A 1 -32,-2.5 -30,-3.4 -2,-0.4 2,-0.3 -0.944 13.0-159.1-109.7 130.9 88.9 39.8 -1.4 68 68 A T E -bd 37 104A 0 35,-2.9 37,-2.0 -2,-0.5 2,-0.4 -0.862 13.4-168.2-116.0 149.2 88.6 41.5 2.0 69 69 A F E -bd 38 105A 1 -32,-2.4 -30,-2.6 -2,-0.3 2,-0.3 -0.999 18.0-143.6-131.6 126.9 86.2 44.1 3.3 70 70 A N E -b 39 0A 0 35,-1.7 37,-0.2 -2,-0.4 -32,-0.0 -0.732 12.5-130.1 -96.8 146.0 86.9 45.7 6.7 71 71 A M S S- 0 0 13 -32,-2.4 117,-2.6 -2,-0.3 2,-0.3 0.802 74.4 -12.7 -60.2 -37.1 84.2 46.7 9.2 72 72 A D E -G 187 0B 9 115,-0.2 2,-0.3 73,-0.1 115,-0.2 -0.941 44.7-159.7-159.2 178.6 85.3 50.3 9.8 73 73 A E E -G 186 0B 4 113,-1.9 113,-3.1 -2,-0.3 2,-0.2 -0.962 35.7 -99.3-163.7 151.2 87.6 53.3 9.7 74 74 A Y E > -G 185 0B 5 -2,-0.3 3,-0.7 111,-0.2 2,-0.3 -0.553 38.3-124.3 -76.5 138.6 88.1 56.6 11.5 75 75 A V T 3 S+ 0 0 32 109,-2.5 109,-0.4 -2,-0.2 108,-0.2 -0.681 89.1 6.9 -84.7 137.0 86.7 59.6 9.8 76 76 A G T 3 S+ 0 0 54 33,-2.9 -1,-0.2 -2,-0.3 34,-0.1 0.622 93.8 123.0 71.3 14.6 89.2 62.4 9.1 77 77 A L < - 0 0 17 -3,-0.7 -1,-0.2 4,-0.0 32,-0.1 -0.929 69.5-111.5-106.6 128.4 92.3 60.5 10.2 78 78 A P > - 0 0 81 0, 0.0 3,-2.8 0, 0.0 6,-0.2 -0.372 23.3-121.4 -62.9 134.9 95.0 60.3 7.5 79 79 A K T 3 S+ 0 0 78 1,-0.3 8,-0.4 -2,-0.1 5,-0.3 0.829 109.4 49.8 -42.3 -49.2 95.5 56.7 6.2 80 80 A E T 3 S+ 0 0 170 6,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.469 77.3 116.6 -77.9 3.0 99.2 56.5 7.1 81 81 A H S X S- 0 0 55 -3,-2.8 3,-1.8 1,-0.2 6,-0.4 -0.539 77.6-124.5 -63.8 135.0 98.6 57.6 10.6 82 82 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.582 105.5 55.1 -60.3 -8.4 99.7 54.5 12.5 83 83 A E T 3 S+ 0 0 51 4,-0.1 2,-0.1 5,-0.0 -9,-0.1 0.241 78.7 107.3-112.5 11.1 96.3 54.3 14.3 84 84 A S S <> S- 0 0 0 -3,-1.8 4,-2.0 -5,-0.3 5,-0.1 -0.502 80.8-118.0 -81.5 159.7 94.0 54.3 11.3 85 85 A Y H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.816 116.1 60.5 -69.9 -27.3 92.4 50.9 10.6 86 86 A Y H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 107.4 45.2 -61.8 -45.0 94.2 50.9 7.3 87 87 A S H > S+ 0 0 12 -8,-0.4 4,-2.3 -6,-0.4 5,-0.3 0.878 111.5 51.3 -67.5 -41.4 97.5 51.0 9.1 88 88 A F H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.938 110.6 50.5 -60.8 -46.1 96.5 48.3 11.6 89 89 A M H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-1.5 0.875 114.2 41.1 -61.7 -41.8 95.4 46.0 8.8 90 90 A H H <>S+ 0 0 37 -4,-1.9 5,-2.7 3,-0.2 6,-0.3 0.962 116.9 47.5 -72.6 -51.3 98.6 46.3 6.8 91 91 A R H <5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 123.2 34.4 -56.5 -39.8 101.0 46.2 9.7 92 92 A N H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.625 140.2 -7.0 -93.6 -15.3 99.2 43.2 11.2 93 93 A F T ><5S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 4,-0.4 0.518 120.7 53.5-142.3 -64.2 98.1 41.2 8.1 94 94 A F G > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.422 18.0-119.4 -71.9 149.4 96.7 42.0 -4.2 101 101 A A G > S+ 0 0 85 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.783 112.3 59.4 -60.1 -30.0 95.9 45.7 -3.5 102 102 A E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 -35,-0.0 0.657 100.5 58.1 -74.0 -14.2 92.8 45.6 -5.7 103 103 A N G < S+ 0 0 15 -3,-1.7 -35,-2.9 -36,-0.1 2,-0.6 0.451 88.3 90.7 -91.9 -3.6 91.4 42.8 -3.4 104 104 A I E < -d 68 0A 28 -3,-1.2 2,-0.5 -4,-0.3 -35,-0.2 -0.853 55.8-171.6-100.4 120.9 91.6 45.0 -0.3 105 105 A N E +d 69 0A 15 -37,-2.0 -35,-1.7 -2,-0.6 2,-0.3 -0.955 13.5 159.9-116.8 124.2 88.5 47.0 0.6 106 106 A L - 0 0 23 -2,-0.5 2,-0.1 -37,-0.2 -33,-0.1 -0.983 42.9-104.2-139.0 144.1 88.7 49.6 3.4 107 107 A L - 0 0 0 -2,-0.3 2,-1.1 -35,-0.2 -21,-0.1 -0.451 30.1-125.3 -71.8 145.4 86.4 52.5 4.1 108 108 A N > - 0 0 56 1,-0.2 3,-2.4 -2,-0.1 -1,-0.1 -0.757 22.5-174.3 -95.0 91.3 87.8 56.0 3.2 109 109 A G T 3 S+ 0 0 3 -2,-1.1 -33,-2.9 1,-0.3 -1,-0.2 0.600 87.1 52.1 -61.1 -8.2 87.5 58.0 6.4 110 110 A N T 3 S+ 0 0 73 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 0.259 73.7 133.2-112.3 9.3 88.7 60.9 4.3 111 111 A A < - 0 0 11 -3,-2.4 3,-0.2 1,-0.1 -35,-0.1 -0.361 57.4-135.9 -60.1 139.8 86.2 60.7 1.4 112 112 A P S S+ 0 0 137 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.906 99.2 44.4 -65.2 -41.2 84.9 64.2 0.7 113 113 A D S > S- 0 0 85 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.876 71.5-175.5-108.8 99.2 81.3 62.8 0.3 114 114 A I H > S+ 0 0 31 -2,-0.8 4,-2.9 2,-0.2 5,-0.3 0.910 81.3 51.5 -59.3 -50.3 80.8 60.4 3.2 115 115 A D H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.900 112.6 47.9 -56.8 -41.3 77.3 59.1 2.2 116 116 A A H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.920 110.1 52.9 -64.6 -44.8 78.6 58.4 -1.2 117 117 A E H X S+ 0 0 29 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.946 114.0 41.6 -54.5 -51.7 81.6 56.6 0.3 118 118 A C H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.920 113.2 53.6 -62.5 -46.7 79.4 54.4 2.4 119 119 A R H X S+ 0 0 121 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.914 110.6 47.2 -54.0 -46.5 76.9 53.9 -0.4 120 120 A Q H X S+ 0 0 107 -4,-2.9 4,-3.4 2,-0.2 -1,-0.2 0.825 105.7 57.9 -67.4 -34.3 79.8 52.7 -2.7 121 121 A Y H X S+ 0 0 10 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.932 108.8 46.8 -60.5 -45.1 81.2 50.4 -0.1 122 122 A E H X S+ 0 0 7 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.875 113.5 49.6 -63.1 -38.3 77.9 48.6 0.0 123 123 A E H X S+ 0 0 91 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.918 105.4 55.3 -69.4 -43.4 77.9 48.6 -3.8 124 124 A K H X S+ 0 0 70 -4,-3.4 4,-1.0 1,-0.2 -1,-0.2 0.902 108.7 50.4 -56.1 -41.9 81.4 47.1 -4.0 125 125 A I H >X S+ 0 0 14 -4,-1.8 4,-1.2 1,-0.2 3,-1.0 0.947 109.8 47.8 -61.0 -51.4 80.3 44.2 -1.9 126 126 A R H 3< S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.1 64.9 -61.1 -30.8 77.2 43.5 -3.9 127 127 A S H 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.857 107.6 41.7 -60.4 -34.4 79.3 43.6 -7.1 128 128 A Y H << S- 0 0 80 -4,-1.0 2,-0.7 -3,-1.0 -1,-0.3 0.716 113.4-131.8 -82.2 -22.4 81.1 40.6 -5.7 129 129 A G < + 0 0 50 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.1 -0.580 64.4 0.8 109.0 -70.4 77.7 39.2 -4.6 130 130 A K - 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f 0 238A 2 -66,-3.0 2,-0.5 -2,-0.5 -64,-0.4 -0.816 16.7-169.2 -92.5 123.9 85.9 36.4 18.5 203 203 A V E + f 0 239A 1 35,-3.0 37,-1.6 -2,-0.5 2,-0.4 -0.937 13.3 165.0-121.4 108.8 85.0 36.7 22.2 204 204 A L + 0 0 24 -2,-0.5 3,-0.1 35,-0.2 -160,-0.1 -0.977 37.7 24.1-127.8 135.6 87.9 37.3 24.5 205 205 A G S > S- 0 0 17 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 0.220 79.3 -91.1 96.0 145.2 88.0 38.5 28.1 206 206 A S G > S+ 0 0 75 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.715 117.0 71.1 -62.5 -22.9 85.7 38.4 31.1 207 207 A Q G 3 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.609 96.2 52.9 -71.2 -10.1 84.2 41.8 30.1 208 208 A K G <> S+ 0 0 28 -3,-1.9 4,-2.7 1,-0.1 5,-0.3 0.448 80.4 101.6 -98.5 -4.8 82.5 40.1 27.2 209 209 A A H <> S+ 0 0 4 -3,-1.3 4,-2.2 1,-0.2 5,-0.2 0.864 80.6 47.1 -46.8 -48.7 80.9 37.5 29.5 210 210 A L H > S+ 0 0 82 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.895 113.8 48.3 -64.0 -40.2 77.5 39.1 29.5 211 211 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.872 110.1 51.0 -68.4 -37.8 77.5 39.5 25.7 212 212 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 31,-0.2 5,-0.3 0.920 112.3 48.5 -64.9 -41.1 78.6 35.9 25.2 213 213 A Q H X>S+ 0 0 52 -4,-2.2 5,-2.3 -5,-0.3 4,-2.1 0.900 110.3 50.0 -65.8 -39.7 75.7 34.9 27.5 214 214 A A H <5S+ 0 0 10 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.864 114.6 46.2 -66.8 -34.6 73.3 37.1 25.6 215 215 A A H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.922 126.0 26.3 -72.5 -46.9 74.4 35.6 22.4 216 216 A V H <5S+ 0 0 28 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.917 137.1 16.1 -86.3 -48.2 74.3 31.9 23.5 217 217 A E T <5S+ 0 0 55 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.750 104.3 85.3-101.4 -29.2 71.8 31.6 26.3 218 218 A G S - 0 0 56 3,-0.4 3,-0.6 -2,-0.3 6,-0.3 -0.971 50.3-129.5-158.5 145.6 66.4 41.0 21.4 222 222 A H T 3 S+ 0 0 104 -2,-0.3 -72,-2.2 1,-0.2 -71,-0.4 0.640 98.8 70.7 -75.0 -15.9 67.7 44.1 19.7 223 223 A M T 3 S+ 0 0 91 1,-0.3 2,-0.8 -74,-0.2 -1,-0.2 0.881 106.0 42.8 -66.6 -35.0 69.3 45.8 22.7 224 224 A W S X S- 0 0 77 -3,-0.6 3,-2.3 1,-0.2 4,-0.4 -0.811 78.6-171.8-108.6 83.9 72.0 43.1 22.6 225 225 A T G > S+ 0 0 2 -2,-0.8 3,-2.4 -3,-0.4 4,-0.3 0.859 79.2 66.4 -45.2 -44.9 72.7 43.0 18.8 226 226 A I G > S+ 0 0 0 -84,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.768 89.2 67.7 -49.6 -30.9 74.9 39.9 19.2 227 227 A S G X S+ 0 0 0 -3,-2.3 3,-1.4 -6,-0.3 -1,-0.3 0.741 87.3 66.4 -64.6 -24.8 71.8 37.9 20.2 228 228 A C G X S+ 0 0 6 -3,-2.4 3,-1.7 -4,-0.4 4,-0.3 0.589 77.7 80.9 -75.5 -7.0 70.2 38.2 16.8 229 229 A L G X S+ 0 0 2 -3,-1.6 3,-0.6 -4,-0.3 -1,-0.3 0.638 76.4 76.4 -69.2 -11.6 73.0 36.0 15.4 230 230 A Q G < S+ 0 0 75 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.764 94.6 48.6 -66.9 -25.0 70.8 33.2 16.8 231 231 A L G < S+ 0 0 127 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.537 90.7 104.4 -91.8 -10.2 68.6 33.9 13.7 232 232 A H S < S- 0 0 19 -3,-0.6 3,-0.5 -4,-0.3 -37,-0.1 -0.484 74.4-130.2 -74.0 141.8 71.6 33.8 11.3 233 233 A P S S+ 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.760 95.8 19.7 -62.6 -28.4 72.0 30.7 9.2 234 234 A K S S+ 0 0 93 -38,-0.2 -35,-2.5 -37,-0.1 2,-0.4 -0.542 76.7 153.3-149.5 80.6 75.7 30.2 10.0 235 235 A A E - f 0 199A 6 -3,-0.5 -233,-1.7 -37,-0.2 2,-0.4 -0.875 16.2-172.9-113.4 143.2 77.1 31.8 13.1 236 236 A I E -af 2 200A 1 -37,-2.2 -35,-2.7 -2,-0.4 2,-0.5 -0.993 10.9-157.3-133.4 138.8 80.1 30.7 15.3 237 237 A M E -af 3 201A 0 -235,-2.7 -233,-3.4 -2,-0.4 2,-0.6 -0.978 9.4-168.0-115.7 118.2 81.3 32.2 18.6 238 238 A V E +af 4 202A 0 -37,-2.8 -35,-3.0 -2,-0.5 2,-0.3 -0.946 22.3 172.0-108.9 116.8 85.0 31.4 19.3 239 239 A C E -af 5 203A 0 -235,-2.6 -233,-2.9 -2,-0.6 -35,-0.2 -0.832 31.0-132.2-131.5 164.3 85.8 32.2 22.9 240 240 A D - 0 0 15 -37,-1.6 4,-0.4 -2,-0.3 3,-0.3 -0.500 41.8 -96.5-100.7 176.3 88.4 32.1 25.7 241 241 A E S > S+ 0 0 111 -234,-1.5 3,-1.9 1,-0.2 4,-0.1 0.917 116.0 54.9 -62.1 -50.3 87.9 30.9 29.3 242 242 A P G > S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.826 100.6 61.6 -54.8 -33.2 87.3 34.3 31.0 243 243 A S G 3 S+ 0 0 0 -3,-0.3 3,-0.5 1,-0.2 -31,-0.2 0.659 92.3 67.8 -69.0 -14.7 84.5 35.2 28.6 244 244 A T G X + 0 0 13 -3,-1.9 3,-1.7 -4,-0.4 -1,-0.2 0.380 65.1 108.2 -86.6 4.2 82.5 32.2 29.8 245 245 A M T < S+ 0 0 117 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.709 79.1 46.6 -54.2 -28.6 81.9 33.5 33.4 246 246 A E T 3 S+ 0 0 97 -3,-0.5 -1,-0.3 -37,-0.1 2,-0.2 0.452 91.8 97.0 -97.2 -1.0 78.2 34.3 32.8 247 247 A L S < S- 0 0 17 -3,-1.7 2,-0.1 1,-0.1 -34,-0.1 -0.511 83.3-102.6 -84.9 155.5 77.2 31.0 31.2 248 248 A K > - 0 0 118 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.459 30.5-117.3 -72.1 151.2 75.7 28.1 33.1 249 249 A V H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.891 116.3 49.8 -56.4 -39.6 78.2 25.3 34.0 250 250 A K H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.821 104.4 56.8 -70.8 -32.8 76.0 22.9 31.9 251 251 A T H > S+ 0 0 21 -3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.942 111.3 43.6 -63.1 -46.7 75.9 25.2 28.8 252 252 A L H X S+ 0 0 39 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.855 112.5 52.5 -67.3 -34.9 79.6 25.3 28.7 253 253 A R H X S+ 0 0 138 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.853 106.2 56.5 -68.6 -34.2 79.8 21.6 29.3 254 254 A Y H X S+ 0 0 132 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.973 113.1 36.6 -60.3 -57.5 77.4 21.1 26.4 255 255 A F H X S+ 0 0 27 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.860 113.0 58.4 -66.6 -35.0 79.5 22.9 23.8 256 256 A N H < S+ 0 0 63 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.874 114.6 38.5 -63.5 -33.3 82.8 21.6 25.2 257 257 A E H >< S+ 0 0 135 -4,-1.7 3,-0.9 -3,-0.2 4,-0.3 0.895 115.5 51.7 -82.1 -41.6 81.5 18.1 24.7 258 258 A L H 3< S+ 0 0 95 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.810 120.1 34.5 -63.7 -31.4 79.8 18.8 21.3 259 259 A E T 3X S+ 0 0 12 -4,-2.5 4,-0.7 -5,-0.2 3,-0.3 0.196 80.6 113.9-111.4 17.6 82.9 20.4 19.9 260 260 A A T X4 S+ 0 0 32 -3,-0.9 3,-0.8 1,-0.2 4,-0.3 0.863 78.3 50.9 -56.5 -40.4 85.6 18.3 21.5 261 261 A E G >4 S+ 0 0 142 -4,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.866 109.1 52.4 -66.3 -36.0 86.8 16.8 18.2 262 262 A N G 34 S+ 0 0 63 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.508 103.9 55.0 -80.3 -6.9 87.0 20.2 16.6 263 263 A I G << S+ 0 0 35 -3,-0.8 2,-0.6 -4,-0.7 -1,-0.2 0.359 74.1 109.5-111.0 9.6 89.2 21.9 19.2 264 264 A K S < S+ 0 0 121 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.0 -0.739 93.9 2.3 -85.6 121.1 92.2 19.5 19.3 265 265 A G 0 0 70 -2,-0.6 -1,-0.2 1,-0.0 -2,-0.1 -0.482 360.0 360.0 106.4 -62.7 95.3 21.1 17.8 266 266 A L 0 0 31 -2,-0.6 -251,-0.2 -4,-0.2 -3,-0.1 0.578 360.0 360.0 84.4 360.0 93.7 24.5 17.0