==== 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 1FSF . 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) . 12100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.9 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 . 11 4.1 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 . 17 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.9 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 2 0 0 2 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 . 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 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 91 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 140.8 75.0 28.3 16.2 2 2 A R E -a 236 0A 72 233,-2.7 235,-2.7 2,-0.0 2,-0.5 -0.855 360.0-161.1-107.0 145.9 78.3 26.8 17.2 3 3 A L E -a 237 0A 0 -2,-0.4 235,-0.2 233,-0.2 256,-0.1 -0.994 2.9-163.3-120.7 121.2 80.2 27.8 20.4 4 4 A I E -a 238 0A 0 233,-3.3 235,-2.8 -2,-0.5 2,-0.9 -0.894 10.3-159.3-104.1 100.3 83.9 26.8 20.4 5 5 A P E +a 239 0A 9 0, 0.0 2,-0.2 0, 0.0 235,-0.2 -0.732 21.9 164.6 -88.4 108.3 85.0 27.0 24.1 6 6 A L - 0 0 11 233,-2.9 3,-0.1 -2,-0.9 250,-0.0 -0.632 37.5-129.4-113.8 175.7 88.8 27.4 24.3 7 7 A T S S+ 0 0 72 233,-0.3 234,-2.6 -2,-0.2 2,-0.2 0.966 78.0 26.3 -91.0 -56.2 91.1 28.4 27.1 8 8 A T S > S- 0 0 50 232,-0.2 4,-2.3 233,-0.1 -1,-0.1 -0.664 72.4-114.8-114.6 162.1 93.4 31.1 25.8 9 9 A A H > S+ 0 0 25 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.861 116.2 58.3 -56.1 -38.2 93.4 33.9 23.2 10 10 A E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 107.1 46.5 -65.8 -40.2 96.2 32.1 21.4 11 11 A Q H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.887 110.4 53.7 -65.1 -39.3 94.1 29.0 21.0 12 12 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.961 109.8 47.0 -60.4 -46.0 91.2 31.1 19.9 13 13 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.918 111.9 50.7 -63.2 -36.7 93.3 32.7 17.1 14 14 A K H X S+ 0 0 86 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.933 112.6 46.5 -67.5 -36.9 94.6 29.4 16.0 15 15 A W H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.952 115.4 44.9 -66.2 -50.4 91.1 27.9 15.8 16 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.939 114.4 48.8 -60.3 -46.6 89.7 30.9 13.9 17 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.946 111.3 49.7 -62.5 -43.0 92.6 31.1 11.6 18 18 A R H X S+ 0 0 64 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.904 110.3 51.7 -62.2 -37.1 92.4 27.3 10.8 19 19 A H H X S+ 0 0 19 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.946 110.6 47.7 -62.1 -48.5 88.6 27.8 10.2 20 20 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.961 112.7 49.3 -56.9 -50.3 89.3 30.6 7.7 21 21 A V H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.906 111.0 49.2 -57.2 -44.7 92.0 28.5 6.0 22 22 A N H X S+ 0 0 90 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.917 110.9 49.6 -67.5 -37.3 89.7 25.5 5.7 23 23 A R H X S+ 0 0 87 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.954 114.1 46.0 -65.0 -43.7 86.9 27.6 4.3 24 24 A I H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.938 113.8 47.3 -63.3 -44.1 89.2 29.1 1.7 25 25 A N H < S+ 0 0 77 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.901 113.1 48.2 -71.3 -29.6 90.8 25.8 0.7 26 26 A A H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.863 110.9 51.8 -76.2 -27.9 87.5 24.1 0.4 27 27 A F H < S- 0 0 41 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.800 92.4-150.6 -75.3 -32.6 86.1 26.9 -1.7 28 28 A K < - 0 0 137 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.981 18.3-147.7 59.5 66.8 89.0 26.9 -4.2 29 29 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 36,-0.1 -0.274 18.5-174.2 -70.9 150.3 88.9 30.6 -5.1 30 30 A T B > -G 33 0B 69 3,-2.5 3,-0.8 35,-0.2 -2,-0.0 -0.837 43.8 -91.3-134.7 174.2 89.9 31.9 -8.5 31 31 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.0 -2,-0.3 0, 0.0 0.841 130.3 35.9 -51.3 -39.2 90.4 35.3 -10.2 32 32 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.0 33,-0.0 0.491 126.4 39.3 -97.9 -7.3 86.8 35.2 -11.4 33 33 A R B < S-G 30 0B 113 -3,-0.8 -3,-2.5 -5,-0.0 -1,-0.2 -0.629 80.2-179.8-142.1 78.7 85.4 33.5 -8.2 34 34 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.415 32.6-115.2 -76.3 155.1 87.2 35.0 -5.2 35 35 A F E -b 66 0A 5 30,-1.9 32,-3.0 -2,-0.1 2,-0.6 -0.803 32.4-143.4 -83.1 125.8 86.6 34.0 -1.6 36 36 A V E -b 67 0A 1 -2,-0.5 96,-1.8 30,-0.2 97,-1.5 -0.870 18.6-172.4-105.2 120.5 85.2 37.1 0.1 37 37 A L E -bc 68 133A 0 30,-3.1 32,-1.8 -2,-0.6 2,-0.3 -0.959 12.6-152.6-117.5 121.6 86.4 37.7 3.7 38 38 A G E -bc 69 134A 0 95,-2.8 97,-2.5 -2,-0.5 32,-0.2 -0.751 23.6-168.3 -94.2 140.7 85.1 40.3 6.1 39 39 A L E -b 70 0A 0 30,-2.7 32,-2.1 -2,-0.3 2,-0.2 -0.949 15.0-154.6-136.3 145.8 87.6 41.4 8.8 40 40 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.635 10.8-142.9-108.3 174.9 87.8 43.4 12.0 41 41 A T + 0 0 19 -2,-0.2 3,-0.2 3,-0.0 2,-0.1 -0.615 48.0 73.1-123.0-176.6 90.6 45.3 13.8 42 42 A G S S- 0 0 30 -2,-0.2 4,-0.3 1,-0.2 0, 0.0 -0.379 94.2 -54.8 100.8-177.1 91.6 45.9 17.4 43 43 A G S > S+ 0 0 58 1,-0.2 3,-1.2 2,-0.1 4,-0.4 0.844 120.0 71.5 -69.6 -30.2 93.2 43.7 20.1 44 44 A T T 3 S+ 0 0 35 1,-0.3 3,-0.5 -3,-0.2 4,-0.3 0.920 101.0 39.0 -60.5 -51.6 90.6 40.9 19.8 45 45 A P T 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.464 87.2 103.0 -78.5 5.8 91.6 39.5 16.4 46 46 A M H <> S+ 0 0 75 -3,-1.2 4,-2.4 -4,-0.3 5,-0.2 0.930 81.6 45.3 -55.3 -47.7 95.4 39.9 16.9 47 47 A T H > S+ 0 0 28 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.832 111.1 55.9 -69.0 -23.9 96.2 36.2 17.7 48 48 A T H > S+ 0 0 0 -3,-0.4 4,-2.9 -4,-0.3 -1,-0.2 0.944 109.0 44.7 -68.7 -44.9 94.1 35.2 14.7 49 49 A Y H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.929 112.0 53.6 -61.5 -45.4 96.1 37.4 12.2 50 50 A K H X S+ 0 0 133 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.936 113.5 42.6 -56.9 -45.5 99.3 36.1 13.8 51 51 A A H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.884 111.9 53.5 -70.9 -37.5 98.1 32.5 13.2 52 52 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.954 109.2 49.5 -59.6 -45.9 96.8 33.2 9.7 53 53 A V H X S+ 0 0 16 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.922 109.7 52.4 -57.1 -40.9 100.2 34.7 8.8 54 54 A E H X S+ 0 0 97 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.926 109.1 48.0 -60.7 -47.9 101.9 31.6 10.2 55 55 A M H <>S+ 0 0 22 -4,-2.4 5,-3.4 2,-0.2 6,-0.6 0.847 111.0 52.2 -63.8 -34.6 99.8 29.2 8.2 56 56 A H H ><5S+ 0 0 37 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.937 110.1 47.9 -64.8 -47.1 100.4 31.3 5.0 57 57 A K H 3<5S+ 0 0 144 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 106.2 57.7 -66.9 -27.8 104.1 31.2 5.6 58 58 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.479 119.8-112.3 -81.2 3.5 103.9 27.4 6.2 59 59 A G T < 5S+ 0 0 66 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.753 83.8 121.9 76.7 25.3 102.4 27.2 2.7 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.217 59.6 112.6-103.6 13.1 95.3 35.0 -0.3 64 64 A K T 3 S+ 0 0 114 1,-0.3 -1,-0.2 35,-0.2 -34,-0.1 0.819 91.2 27.7 -52.4 -39.7 95.9 35.6 -4.1 65 65 A H T 3 S+ 0 0 73 -3,-0.3 -30,-1.9 -36,-0.1 2,-0.5 -0.126 96.8 112.2-118.8 38.6 92.2 35.2 -4.8 66 66 A V E < -b 35 0A 0 -3,-1.8 2,-0.4 -32,-0.2 -30,-0.2 -0.942 49.8-159.7-108.5 129.4 90.8 36.3 -1.5 67 67 A V E -b 36 0A 2 -32,-3.0 -30,-3.1 -2,-0.5 2,-0.3 -0.914 11.6-158.6-106.6 137.6 88.9 39.6 -1.4 68 68 A T E -bd 37 104A 0 35,-2.5 37,-1.7 -2,-0.4 2,-0.4 -0.926 15.9-168.7-124.3 150.7 88.5 41.4 1.9 69 69 A F E -bd 38 105A 0 -32,-1.8 -30,-2.7 -2,-0.3 2,-0.3 -1.000 18.0-145.5-128.7 123.1 86.1 44.0 3.4 70 70 A N E -b 39 0A 0 35,-2.0 37,-0.1 -2,-0.4 3,-0.0 -0.641 14.3-129.4 -91.6 152.6 87.0 45.6 6.7 71 71 A M S S- 0 0 13 -32,-2.1 117,-3.2 -2,-0.3 2,-0.3 0.810 74.0 -12.9 -68.3 -34.7 84.2 46.6 9.2 72 72 A D E -H 187 0C 8 115,-0.2 2,-0.3 73,-0.1 115,-0.2 -0.954 45.2-158.9-161.4 174.7 85.2 50.2 9.8 73 73 A E E -H 186 0C 4 113,-1.9 113,-3.2 -2,-0.3 2,-0.2 -0.963 34.7-100.0-161.3 148.5 87.6 53.2 9.7 74 74 A Y E -H 185 0C 5 -2,-0.3 3,-0.5 111,-0.2 2,-0.4 -0.495 37.5-122.5 -71.4 143.2 88.1 56.5 11.5 75 75 A V S S+ 0 0 31 109,-2.6 109,-0.4 1,-0.2 35,-0.2 -0.739 88.2 5.5 -86.7 136.0 86.8 59.6 9.8 76 76 A G S S+ 0 0 55 33,-2.2 -1,-0.2 -2,-0.4 34,-0.1 0.470 92.7 125.1 74.8 6.6 89.3 62.4 9.1 77 77 A L S S- 0 0 14 -3,-0.5 -1,-0.2 32,-0.1 2,-0.1 -0.839 71.3-109.3 -92.8 132.8 92.3 60.5 10.2 78 78 A P > - 0 0 80 0, 0.0 3,-2.8 0, 0.0 6,-0.2 -0.441 24.7-126.4 -60.9 134.0 95.1 60.3 7.5 79 79 A K T 3 S+ 0 0 73 1,-0.3 8,-0.4 -2,-0.1 5,-0.2 0.857 108.9 55.4 -49.2 -41.5 95.2 56.8 6.2 80 80 A E T 3 S+ 0 0 161 6,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.498 76.1 116.9 -78.1 1.5 99.0 56.6 6.9 81 81 A H S X S- 0 0 61 -3,-2.8 3,-1.7 1,-0.2 6,-0.3 -0.477 75.9-126.8 -59.9 138.6 98.5 57.5 10.5 82 82 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.733 106.5 53.3 -66.1 -17.8 99.7 54.4 12.3 83 83 A E T 3 S+ 0 0 50 4,-0.1 -3,-0.1 90,-0.1 -2,-0.1 0.376 81.2 110.8 -97.4 -1.4 96.4 54.1 14.3 84 84 A S S <> S- 0 0 0 -3,-1.7 4,-2.2 -6,-0.2 5,-0.1 -0.336 80.3-120.0 -62.0 160.6 94.2 54.2 11.2 85 85 A Y H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.861 116.2 59.9 -75.4 -31.2 92.5 50.8 10.6 86 86 A Y H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.953 108.6 45.0 -47.5 -52.3 94.2 50.8 7.2 87 87 A S H > S+ 0 0 12 -8,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.914 111.5 51.0 -66.7 -44.6 97.5 50.9 9.1 88 88 A F H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.903 111.2 49.2 -52.0 -53.0 96.5 48.3 11.6 89 89 A M H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-1.3 0.878 113.9 43.6 -65.3 -38.9 95.4 45.9 8.8 90 90 A H H <>S+ 0 0 37 -4,-2.2 5,-2.6 3,-0.2 6,-0.3 0.963 116.2 46.9 -68.0 -51.0 98.6 46.2 6.7 91 91 A R H <5S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.863 121.8 35.6 -59.5 -37.6 100.9 46.0 9.7 92 92 A N H <5S- 0 0 32 -4,-2.3 -1,-0.2 -5,-0.2 -39,-0.2 0.610 139.6 -9.8 -95.1 -14.4 99.2 43.0 11.3 93 93 A F T ><5S+ 0 0 0 -4,-1.3 3,-2.1 -5,-0.3 4,-0.5 0.496 120.4 55.1-146.9 -61.2 98.2 41.0 8.1 94 94 A F G > - 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.465 16.5-120.5 -74.9 146.6 96.8 42.0 -4.1 101 101 A A G > S+ 0 0 85 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.861 112.1 60.7 -52.5 -38.5 95.9 45.6 -3.5 102 102 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.768 100.8 55.8 -69.0 -16.3 92.9 45.4 -5.8 103 103 A N G < S+ 0 0 20 -3,-2.0 -35,-2.5 -36,-0.1 2,-0.5 0.520 89.8 90.6 -86.8 -6.5 91.4 42.7 -3.5 104 104 A I E < -d 68 0A 29 -3,-1.7 2,-0.5 -4,-0.4 -35,-0.2 -0.780 54.4-171.8 -99.3 126.1 91.5 44.9 -0.3 105 105 A N E +d 69 0A 13 -37,-1.7 -35,-2.0 -2,-0.5 2,-0.3 -0.964 12.5 160.8-124.3 126.6 88.6 47.0 0.6 106 106 A L - 0 0 20 -2,-0.5 2,-0.2 -37,-0.2 -33,-0.1 -0.977 44.7-100.3-135.1 144.7 88.6 49.5 3.4 107 107 A L - 0 0 0 -2,-0.3 2,-1.2 -35,-0.2 -21,-0.1 -0.448 32.9-125.9 -66.7 137.3 86.3 52.4 4.1 108 108 A N > - 0 0 56 1,-0.2 3,-2.0 -2,-0.2 -1,-0.1 -0.705 25.1-175.5 -87.1 97.4 87.8 55.8 3.0 109 109 A G T 3 S+ 0 0 3 -2,-1.2 -33,-2.2 1,-0.3 -1,-0.2 0.615 84.4 54.0 -69.5 -8.4 87.5 57.9 6.2 110 110 A N T 3 S+ 0 0 75 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 0.295 76.4 135.6-106.2 8.0 88.8 60.8 4.2 111 111 A A < - 0 0 12 -3,-2.0 3,-0.3 1,-0.1 -35,-0.1 -0.247 55.3-137.7 -59.1 144.4 86.2 60.6 1.4 112 112 A P S S+ 0 0 137 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.917 98.6 43.1 -71.0 -41.9 84.8 64.0 0.4 113 113 A D S > S- 0 0 91 1,-0.2 4,-2.2 2,-0.1 3,-0.4 -0.808 72.7-174.6-107.6 92.0 81.2 62.7 0.2 114 114 A I H > S+ 0 0 34 -2,-0.8 4,-2.4 -3,-0.3 5,-0.2 0.877 82.0 49.9 -53.2 -49.5 80.8 60.4 3.2 115 115 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 111.7 51.0 -62.4 -32.5 77.3 59.1 2.3 116 116 A A H > S+ 0 0 11 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.904 107.3 52.3 -66.3 -44.3 78.6 58.3 -1.2 117 117 A E H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 111.0 48.0 -53.0 -49.2 81.6 56.4 0.2 118 118 A C H X S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 39,-0.2 0.915 111.2 50.2 -65.8 -43.5 79.2 54.3 2.4 119 119 A R H X S+ 0 0 130 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.9 50.5 -56.9 -42.5 76.9 53.6 -0.6 120 120 A Q H X S+ 0 0 108 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.907 104.9 57.1 -67.0 -38.9 79.8 52.5 -2.8 121 121 A Y H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.952 109.7 44.5 -56.0 -50.5 81.1 50.1 -0.2 122 122 A E H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.901 113.4 52.2 -61.4 -39.5 77.8 48.3 -0.0 123 123 A E H X S+ 0 0 93 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.927 106.5 52.5 -64.9 -39.4 77.7 48.4 -3.8 124 124 A K H X S+ 0 0 75 -4,-3.3 4,-1.2 2,-0.2 -2,-0.2 0.930 108.1 50.9 -62.5 -41.5 81.2 46.9 -4.0 125 125 A I H >X S+ 0 0 16 -4,-2.2 4,-1.6 1,-0.2 3,-1.0 0.971 111.6 47.9 -57.5 -49.5 80.2 44.0 -1.7 126 126 A R H 3< S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 100.5 66.7 -63.3 -25.8 77.1 43.3 -3.9 127 127 A S H 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.902 108.5 38.7 -65.3 -31.4 79.3 43.5 -7.0 128 128 A Y H << S- 0 0 81 -4,-1.2 2,-0.3 -3,-1.0 -1,-0.2 0.730 114.4-123.9 -86.2 -22.6 81.0 40.3 -5.8 129 129 A G < - 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f 0 238A 2 -66,-3.0 2,-0.5 -2,-0.5 -64,-0.4 -0.788 16.1-167.8 -87.4 126.1 85.8 36.2 18.5 203 203 A V E + f 0 239A 1 35,-3.1 37,-1.8 -2,-0.5 2,-0.4 -0.931 13.8 165.4-125.1 108.4 85.1 36.5 22.2 204 204 A L + 0 0 25 -2,-0.5 3,-0.1 35,-0.2 -160,-0.1 -0.968 38.2 21.6-124.8 129.8 88.0 37.3 24.5 205 205 A G S > S- 0 0 13 -2,-0.4 3,-1.9 1,-0.1 4,-0.1 0.165 78.7 -92.4 101.3 143.9 88.0 38.5 28.2 206 206 A S G > S+ 0 0 74 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.725 117.4 74.1 -65.3 -19.3 85.6 38.4 31.1 207 207 A Q G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.717 96.7 50.1 -66.0 -15.1 84.4 41.9 30.0 208 208 A K G <> S+ 0 0 27 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.323 81.0 101.2 -96.9 3.4 82.6 40.0 27.2 209 209 A A H <> S+ 0 0 4 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.903 80.6 47.6 -63.0 -40.3 81.0 37.5 29.4 210 210 A L H > S+ 0 0 90 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.891 112.8 50.3 -68.3 -35.7 77.5 39.2 29.5 211 211 A A H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 109.5 50.7 -65.3 -39.7 77.6 39.5 25.8 212 212 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.895 111.1 49.4 -63.1 -42.0 78.5 35.8 25.4 213 213 A Q H X>S+ 0 0 58 -4,-2.3 4,-2.2 -5,-0.2 5,-2.1 0.901 110.6 49.0 -63.3 -43.0 75.6 34.9 27.6 214 214 A A H <5S+ 0 0 9 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.864 114.0 47.7 -65.8 -35.5 73.2 37.1 25.7 215 215 A A H <5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.907 125.9 24.1 -68.3 -43.7 74.5 35.6 22.4 216 216 A V H <5S+ 0 0 26 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.892 135.6 17.8 -97.6 -45.7 74.3 31.9 23.5 217 217 A E T <5S+ 0 0 52 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.698 104.8 83.0-106.6 -22.5 71.7 31.5 26.3 218 218 A G S - 0 0 57 3,-0.4 3,-0.9 -2,-0.3 6,-0.3 -0.962 49.6-131.6-158.6 144.1 66.4 41.0 21.4 222 222 A H T 3 S+ 0 0 103 -2,-0.3 -72,-2.1 1,-0.2 -71,-0.3 0.617 100.0 70.8 -73.6 -10.9 67.7 44.1 19.6 223 223 A M T 3 S+ 0 0 95 1,-0.3 2,-0.7 -74,-0.2 -1,-0.2 0.856 104.2 42.7 -75.8 -28.8 69.3 45.7 22.7 224 224 A W S X S- 0 0 76 -3,-0.9 3,-2.4 1,-0.2 4,-0.5 -0.851 80.1-169.9-108.9 86.8 72.0 43.0 22.6 225 225 A T G > S+ 0 0 2 -2,-0.7 3,-2.3 -3,-0.3 4,-0.3 0.842 80.0 64.4 -50.6 -41.7 72.7 43.0 18.9 226 226 A I G > S+ 0 0 0 -84,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.768 89.5 68.9 -55.5 -28.2 74.8 39.8 19.1 227 227 A S G X S+ 0 0 0 -3,-2.4 3,-1.7 -6,-0.3 -1,-0.3 0.785 85.6 68.2 -63.6 -23.9 71.7 37.9 20.3 228 228 A C G X S+ 0 0 6 -3,-2.3 3,-2.0 -4,-0.5 4,-0.3 0.710 78.0 80.4 -76.2 -6.7 70.2 38.2 16.8 229 229 A L G X S+ 0 0 2 -3,-1.6 3,-1.2 -4,-0.3 -1,-0.3 0.711 75.2 76.5 -64.7 -14.6 73.0 35.9 15.5 230 230 A Q G < S+ 0 0 74 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.768 95.1 48.8 -60.2 -25.2 70.8 33.1 16.8 231 231 A L G < S+ 0 0 121 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.481 89.2 106.0 -93.4 -4.0 68.6 33.8 13.7 232 232 A H S < S- 0 0 20 -3,-1.2 3,-0.5 -4,-0.3 -37,-0.1 -0.514 74.6-130.0 -79.8 141.4 71.6 33.7 11.4 233 233 A P S S+ 0 0 119 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.833 96.1 18.1 -58.7 -30.0 71.9 30.6 9.2 234 234 A K S S+ 0 0 89 -38,-0.2 -35,-2.3 2,-0.0 2,-0.4 -0.608 77.0 155.9-152.3 83.6 75.6 30.0 10.1 235 235 A A E - f 0 199A 5 -3,-0.5 -233,-2.7 -37,-0.2 2,-0.4 -0.858 16.0-170.9-116.8 142.6 77.1 31.6 13.2 236 236 A I E -af 2 200A 2 -37,-2.6 -35,-2.8 -2,-0.4 2,-0.5 -0.995 9.2-159.4-135.3 129.1 80.1 30.7 15.3 237 237 A M E -af 3 201A 1 -235,-2.7 -233,-3.3 -2,-0.4 2,-0.5 -0.956 8.9-167.9-105.1 125.4 81.3 32.0 18.6 238 238 A V E +af 4 202A 0 -37,-2.8 -35,-3.1 -2,-0.5 2,-0.3 -0.965 21.0 174.5-114.3 117.1 84.9 31.3 19.4 239 239 A C E -af 5 203A 0 -235,-2.8 -233,-2.9 -2,-0.5 -35,-0.2 -0.848 29.2-133.7-134.4 161.0 85.8 32.1 23.0 240 240 A D - 0 0 13 -37,-1.8 4,-0.4 -2,-0.3 3,-0.3 -0.478 41.1 -97.2 -98.8 177.6 88.4 32.0 25.7 241 241 A E S > S+ 0 0 115 -234,-2.6 3,-2.1 1,-0.2 -233,-0.1 0.942 117.2 52.3 -64.5 -50.4 87.9 30.8 29.3 242 242 A P G > S+ 0 0 49 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.807 101.8 63.2 -59.1 -25.9 87.4 34.2 31.1 243 243 A S G 3 S+ 0 0 0 -3,-0.3 3,-0.4 1,-0.2 -31,-0.2 0.643 91.4 67.1 -70.8 -13.2 84.7 35.1 28.6 244 244 A T G X + 0 0 13 -3,-2.1 3,-1.6 -4,-0.4 -1,-0.2 0.345 65.4 110.1 -89.7 8.0 82.5 32.1 29.8 245 245 A M T < S+ 0 0 119 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.727 78.5 44.9 -58.0 -33.1 81.9 33.5 33.3 246 246 A E T 3 S+ 0 0 99 -3,-0.4 -1,-0.3 -37,-0.1 2,-0.2 0.449 92.9 98.6 -97.3 1.6 78.2 34.3 32.9 247 247 A L S < S- 0 0 17 -3,-1.6 2,-0.2 1,-0.1 -34,-0.1 -0.524 82.1-104.4 -80.6 156.1 77.3 31.0 31.2 248 248 A K >> - 0 0 122 -2,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.551 28.1-119.7 -73.9 148.4 75.7 28.1 33.1 249 249 A V H 3> S+ 0 0 124 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.884 114.6 53.2 -51.4 -41.8 78.1 25.2 33.8 250 250 A K H 3> S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.846 105.3 54.0 -70.8 -26.4 75.9 22.9 31.8 251 251 A T H <> S+ 0 0 20 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.943 111.2 44.5 -67.6 -46.5 75.9 25.1 28.8 252 252 A L H X S+ 0 0 44 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.913 114.3 50.6 -64.5 -41.0 79.7 25.2 28.7 253 253 A R H X S+ 0 0 164 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.901 107.8 54.0 -62.9 -40.4 79.8 21.4 29.3 254 254 A Y H X S+ 0 0 135 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.933 113.9 39.2 -58.8 -49.0 77.3 20.8 26.4 255 255 A F H X S+ 0 0 28 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.850 111.1 59.0 -75.4 -30.6 79.4 22.7 23.9 256 256 A N H < S+ 0 0 67 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.842 113.0 40.1 -65.9 -31.5 82.7 21.4 25.2 257 257 A E H >< S+ 0 0 115 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.886 114.0 51.7 -82.1 -43.2 81.4 17.9 24.5 258 258 A L H 3< S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.791 120.3 33.8 -61.7 -24.0 79.7 18.7 21.2 259 259 A E T >< S+ 0 0 11 -4,-1.6 3,-1.1 -5,-0.2 4,-0.5 0.344 83.0 112.5-118.3 8.7 82.9 20.3 19.7 260 260 A A G X S+ 0 0 30 -3,-1.0 3,-1.3 1,-0.3 4,-0.1 0.867 77.7 49.5 -51.0 -43.4 85.5 18.2 21.4 261 261 A E G > S+ 0 0 146 -4,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.792 110.4 54.4 -69.3 -24.4 86.7 16.5 18.2 262 262 A N G < S+ 0 0 69 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.414 97.8 60.0 -91.0 -2.5 87.0 19.9 16.6 263 263 A I G < S+ 0 0 27 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.249 78.0 108.0-116.6 20.0 89.2 21.7 19.1 264 264 A K S < S+ 0 0 110 -3,-0.5 2,-2.1 -4,-0.1 -3,-0.0 -0.692 88.5 2.9 -89.8 144.3 92.2 19.4 18.9 265 265 A G 0 0 74 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.271 360.0 360.0 83.2 -55.3 95.4 20.6 17.2 266 266 A L 0 0 43 -2,-2.1 -251,-0.2 -4,-0.1 -3,-0.1 0.665 360.0 360.0 79.3 360.0 93.8 24.0 16.6