==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-09 3HNO . COMPND 2 MOLECULE: PYROPHOSPHATE-DEPENDENT PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOSPIRA MULTIFORMIS ATCC 25196; . AUTHOR J.SEETHARAMAN,M ABASHIDZE,S.SAHDEV,H.JANJUA,R.XIAO, . 1579 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1104 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 10 0.6 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 . 1 0.1 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 . 102 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 186 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 472 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 6 7 4 4 0 0 0 1 2 7 1 6 3 0 0 2 2 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 4 4 12 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 . 13 4 4 0 0 0 0 4 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 . 4 0 4 0 0 0 4 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 2 A A 0 0 85 0, 0.0 99,-0.0 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 -98.1 43.2 83.4 9.7 2 3 A A + 0 0 34 93,-0.1 97,-0.1 1,-0.1 96,-0.1 0.793 360.0 127.2 49.5 35.7 44.9 82.5 13.0 3 4 A K + 0 0 77 95,-0.2 33,-2.4 96,-0.1 96,-0.2 0.565 37.6 99.6 -97.0 -10.7 42.9 85.4 14.7 4 5 A N E -a 99 0A 22 94,-2.5 96,-2.4 31,-0.2 97,-1.1 -0.373 63.0-137.4 -76.6 156.6 41.3 83.4 17.6 5 6 A A E -ab 101 38A 1 32,-3.0 34,-3.1 94,-0.2 2,-0.4 -0.840 8.0-155.3-116.6 153.6 42.8 83.5 21.1 6 7 A F E -ab 102 39A 0 95,-1.6 97,-3.3 -2,-0.3 2,-0.4 -0.997 10.8-175.1-128.4 127.3 43.4 80.9 23.7 7 8 A Y E +ab 103 40A 1 32,-2.5 34,-2.1 -2,-0.4 2,-0.3 -0.967 8.2 170.8-122.1 136.8 43.6 81.7 27.4 8 9 A A E -a 104 0A 0 95,-1.9 97,-2.9 -2,-0.4 2,-0.3 -0.997 24.9-136.0-146.6 148.7 44.4 79.2 30.1 9 10 A Q E -a 105 0A 0 67,-0.5 36,-0.4 32,-0.4 2,-0.3 -0.797 23.7-164.5-103.5 147.1 45.2 79.2 33.8 10 11 A S - 0 0 14 95,-2.4 69,-0.2 -2,-0.3 97,-0.1 -0.966 40.6 -5.5-135.0 150.4 48.1 77.2 35.3 11 12 A G S S- 0 0 13 67,-2.4 67,-0.1 -2,-0.3 69,-0.1 -0.166 107.8 -4.4 69.8-163.9 49.2 76.0 38.7 12 13 A G S S- 0 0 13 1,-0.1 -2,-0.1 65,-0.1 125,-0.1 -0.368 77.5-125.1 -63.2 139.6 47.7 76.9 42.1 13 14 A V - 0 0 25 -4,-0.1 2,-0.2 123,-0.1 124,-0.1 -0.259 22.5-154.3 -81.2 172.8 45.0 79.5 41.8 14 15 A T - 0 0 0 58,-0.1 58,-2.0 267,-0.1 4,-0.2 -0.786 32.5 -99.4-136.4-179.9 44.8 82.9 43.6 15 16 A A S S+ 0 0 4 -2,-0.2 266,-0.1 134,-0.2 271,-0.1 0.702 120.1 30.7 -77.8 -18.7 42.2 85.3 44.7 16 17 A V S >> S+ 0 0 0 2,-0.1 4,-1.4 1,-0.1 3,-1.3 0.315 79.9 105.4-124.1 9.5 42.7 87.6 41.7 17 18 A I H 3> S+ 0 0 1 1,-0.3 4,-1.6 2,-0.2 -2,-0.1 0.805 83.5 58.0 -61.4 -24.8 43.7 85.4 38.8 18 19 A N H 3> S+ 0 0 0 52,-0.4 4,-2.4 54,-0.3 -1,-0.3 0.748 97.9 59.4 -74.9 -22.2 40.2 85.9 37.5 19 20 A A H <> S+ 0 0 1 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.896 106.1 48.0 -69.9 -38.3 40.9 89.7 37.5 20 21 A S H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.885 109.9 52.6 -66.0 -38.2 43.8 88.9 35.1 21 22 A A H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.918 109.2 49.2 -63.5 -41.5 41.4 86.7 33.0 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.900 108.8 53.4 -64.5 -40.8 39.0 89.7 32.9 23 24 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.937 113.2 43.3 -59.6 -45.7 41.8 91.9 31.8 24 25 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.966 118.8 42.7 -63.7 -52.8 42.7 89.5 29.0 25 26 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.912 115.2 46.8 -63.5 -45.7 39.1 88.9 27.9 26 27 A E H X S+ 0 0 40 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.878 114.7 48.2 -66.4 -35.2 37.8 92.5 28.1 27 28 A A H X S+ 0 0 5 -4,-1.7 4,-0.6 -5,-0.4 -1,-0.2 0.909 112.6 49.1 -69.4 -40.6 40.9 93.8 26.2 28 29 A A H >X S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 4,-0.7 0.880 108.0 53.3 -65.8 -39.6 40.5 91.1 23.6 29 30 A R H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 103.2 56.9 -64.2 -37.6 36.8 91.9 23.1 30 31 A K H 3< S+ 0 0 153 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.685 106.3 57.7 -66.8 -17.5 37.6 95.6 22.5 31 32 A Q H << + 0 0 61 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.846 60.6 146.4 -75.4-100.4 39.8 94.3 19.7 32 33 A S < + 0 0 77 -4,-0.7 4,-0.2 3,-0.3 -3,-0.0 0.854 66.2 56.9 58.2 108.3 37.9 92.3 17.1 33 34 A G S S+ 0 0 69 2,-0.2 3,-0.1 -30,-0.1 -1,-0.1 -0.289 122.3 34.1 129.2 -35.6 39.4 92.9 13.7 34 35 A K S S+ 0 0 102 1,-0.3 2,-0.5 -6,-0.2 -6,-0.0 0.751 126.2 39.2-106.3 -54.0 42.6 91.8 15.3 35 36 A I - 0 0 2 -7,-0.3 -1,-0.3 1,-0.1 -3,-0.3 -0.873 64.8-177.3-107.5 129.0 41.2 89.1 17.6 36 37 A G - 0 0 41 -33,-2.4 -1,-0.1 -2,-0.5 2,-0.1 0.621 58.0 -1.2 -87.6-118.1 38.4 86.8 16.7 37 38 A R - 0 0 100 564,-0.1 -32,-3.0 1,-0.0 2,-0.7 -0.459 64.2-137.3 -77.8 148.5 36.9 84.3 19.1 38 39 A I E -b 5 0A 9 -34,-0.2 18,-1.6 -2,-0.1 19,-0.5 -0.904 23.6-175.1-110.7 108.6 38.3 84.0 22.7 39 40 A Y E -bC 6 55A 20 -34,-3.1 -32,-2.5 -2,-0.7 2,-0.3 -0.725 8.3-157.2-102.4 151.6 38.6 80.4 23.9 40 41 A A E -bC 7 54A 0 14,-1.9 14,-2.6 -2,-0.3 2,-0.6 -0.943 23.0-115.6-125.5 148.0 39.7 79.2 27.4 41 42 A G E > - C 0 53A 0 -34,-2.1 3,-2.2 -2,-0.3 -32,-0.4 -0.744 28.5-127.7 -86.2 118.0 41.2 75.9 28.4 42 43 A R T 3 S- 0 0 74 10,-2.1 34,-0.2 -2,-0.6 5,-0.2 -0.506 96.0 -1.6 -65.9 121.1 38.9 73.9 30.7 43 44 A N T > S- 0 0 84 32,-3.0 3,-0.6 -2,-0.4 -1,-0.3 0.761 125.5 -83.9 67.6 25.7 41.0 72.9 33.7 44 45 A G T X> S- 0 0 0 -3,-2.2 3,-1.2 32,-0.5 4,-0.8 -0.509 92.2 -8.9 89.4-150.6 44.0 74.6 32.1 45 46 A I H >> S+ 0 0 2 -36,-0.4 4,-2.0 1,-0.3 3,-0.6 0.807 126.8 65.6 -59.1 -32.1 46.5 73.4 29.5 46 47 A I H <> S+ 0 0 59 -3,-0.6 4,-2.6 1,-0.3 -1,-0.3 0.853 94.8 59.1 -60.5 -33.2 45.1 69.9 29.8 47 48 A G H <4>S+ 0 0 0 -3,-1.2 5,-3.5 1,-0.2 -1,-0.3 0.864 104.5 50.5 -62.8 -35.5 41.9 71.3 28.3 48 49 A A H X<5S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.6 -2,-0.2 0.923 110.9 48.1 -67.8 -44.7 43.9 72.3 25.3 49 50 A L H 3<5S+ 0 0 5 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 117.5 40.0 -63.6 -43.6 45.5 68.8 24.9 50 51 A T T 3<5S- 0 0 39 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.288 112.9-119.0 -89.4 11.2 42.1 67.0 25.3 51 52 A E T < 5 + 0 0 4 -3,-0.9 2,-0.6 1,-0.2 -3,-0.2 0.917 63.5 146.1 50.2 52.0 40.4 69.6 23.1 52 53 A D < + 0 0 62 -5,-3.5 -10,-2.1 -10,-0.1 2,-0.3 -0.802 25.5 171.2-115.5 81.8 38.0 70.7 25.9 53 54 A L E -C 41 0A 1 -2,-0.6 337,-2.2 337,-0.4 2,-0.4 -0.681 25.5-142.1 -97.5 150.7 37.7 74.3 25.0 54 55 A I E -CD 40 389A 0 -14,-2.6 -14,-1.9 -2,-0.3 2,-1.1 -0.917 11.0-136.8-112.4 135.1 35.3 76.9 26.4 55 56 A D E > -C 39 0A 23 333,-2.8 3,-1.7 -2,-0.4 333,-0.4 -0.762 19.6-176.4 -93.0 96.0 33.8 79.6 24.3 56 57 A T G > S+ 0 0 1 -18,-1.6 3,-1.8 -2,-1.1 -1,-0.2 0.655 72.8 79.8 -66.1 -16.3 34.1 82.7 26.5 57 58 A G G 3 S+ 0 0 48 -19,-0.5 -1,-0.3 1,-0.3 -18,-0.1 0.711 82.9 64.4 -64.3 -18.3 32.2 84.7 23.9 58 59 A Q G < S+ 0 0 87 -3,-1.7 2,-0.3 330,-0.1 -1,-0.3 0.471 82.8 94.2 -85.2 0.1 29.0 83.2 25.3 59 60 A E S < S- 0 0 9 -3,-1.8 326,-0.0 -4,-0.1 2,-0.0 -0.714 81.8-116.6 -90.0 142.0 29.5 84.9 28.7 60 61 A S > - 0 0 68 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.290 23.9-110.6 -72.3 163.9 27.7 88.3 29.1 61 62 A D H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 121.3 55.6 -61.3 -36.5 29.8 91.4 29.7 62 63 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 105.2 51.0 -62.8 -41.7 28.4 91.4 33.3 63 64 A A H > S+ 0 0 14 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.907 111.5 47.3 -63.9 -42.5 29.7 87.9 33.9 64 65 A I H >< S+ 0 0 1 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.931 110.9 51.1 -65.0 -44.8 33.2 88.8 32.6 65 66 A S H >< S+ 0 0 54 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.869 103.7 60.2 -59.3 -36.2 33.2 92.0 34.7 66 67 A A H >< S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.3 317,-0.4 0.705 87.9 73.2 -65.3 -20.9 32.2 89.9 37.8 67 68 A L G X< S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.6 -1,-0.3 0.824 83.0 71.0 -62.4 -28.3 35.4 87.9 37.3 68 69 A R G < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.5 -49,-0.2 0.704 108.1 33.0 -62.4 -20.3 37.2 90.9 38.7 69 70 A Y G < S+ 0 0 62 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.063 99.4 97.6-125.0 27.3 35.8 90.2 42.1 70 71 A T < - 0 0 9 -3,-1.6 -52,-0.4 312,-0.1 4,-0.2 -0.959 63.7-134.4-119.7 131.4 35.7 86.4 42.1 71 72 A P + 0 0 18 0, 0.0 -56,-0.2 0, 0.0 210,-0.1 -0.261 60.0 14.4 -79.1 165.8 38.4 84.1 43.6 72 73 A S S S- 0 0 45 -58,-2.0 2,-0.8 208,-0.4 -54,-0.3 -0.102 105.7 -37.3 68.7-165.0 40.1 81.0 42.2 73 74 A G > - 0 0 16 1,-0.1 3,-1.2 -56,-0.1 4,-0.1 -0.832 43.6-165.7-101.6 106.7 40.1 79.8 38.6 74 75 A A T 3 S+ 0 0 15 -2,-0.8 311,-0.3 1,-0.3 -1,-0.1 0.644 94.3 38.4 -61.7 -17.2 36.8 80.4 36.8 75 76 A F T 3 S- 0 0 5 1,-0.2 -32,-3.0 -34,-0.1 -31,-0.4 0.391 120.3-107.0-111.4 -1.6 37.8 78.0 33.9 76 77 A G < - 0 0 16 -3,-1.2 -32,-0.5 -34,-0.2 -67,-0.5 0.046 33.0-138.4 90.1 155.4 39.6 75.5 36.1 77 78 A S - 0 0 30 -34,-0.3 2,-0.3 -4,-0.1 -67,-0.2 -0.857 12.5-165.8-141.5 175.6 43.4 74.9 36.5 78 79 A C - 0 0 23 -69,-0.3 -67,-2.4 -2,-0.3 -33,-0.1 -0.974 30.2-124.0-158.3 167.3 45.9 72.1 36.8 79 80 A R + 0 0 184 -2,-0.3 2,-0.7 -69,-0.2 -69,-0.1 0.013 59.0 136.9-107.4 27.5 49.5 71.3 37.7 80 81 A Y 0 0 109 -69,-0.1 -35,-0.2 1,-0.1 -2,-0.1 -0.659 360.0 360.0 -78.0 111.9 50.3 69.6 34.3 81 82 A K 0 0 91 -2,-0.7 -1,-0.1 -71,-0.0 -2,-0.1 -0.682 360.0 360.0 -84.4 360.0 53.8 70.9 33.4 82 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 89 A N > 0 0 93 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 112.2 56.8 66.4 25.9 84 90 A R H > + 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.937 360.0 50.2 -56.1 -50.1 57.2 66.6 22.1 85 91 A R H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 112.2 48.5 -55.7 -43.3 53.9 64.7 21.6 86 92 A E H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.952 112.3 46.4 -63.8 -52.5 52.2 67.2 23.9 87 93 A Y H X S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.895 113.3 49.4 -58.7 -42.3 53.6 70.3 22.3 88 94 A E H X S+ 0 0 60 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.877 109.4 53.0 -64.5 -37.5 52.8 69.0 18.8 89 95 A R H X S+ 0 0 10 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.881 105.4 54.3 -64.4 -40.0 49.2 68.2 20.0 90 96 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.945 108.9 47.7 -59.8 -48.4 48.8 71.8 21.3 91 97 A I H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.907 110.0 53.4 -60.7 -40.2 49.7 73.2 17.9 92 98 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.911 111.6 45.5 -59.8 -44.2 47.3 70.8 16.2 93 99 A V H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.923 113.1 48.5 -67.7 -44.4 44.4 71.9 18.5 94 100 A F H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 3,-0.5 0.932 112.4 50.6 -62.4 -41.3 45.2 75.6 18.0 95 101 A K H ><5S+ 0 0 109 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.931 105.7 54.6 -60.7 -46.3 45.4 75.1 14.3 96 102 A A H 3<5S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 115.8 39.9 -60.1 -25.7 42.0 73.3 14.1 97 103 A H T 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.133 112.7-115.0-110.6 18.7 40.4 76.2 15.9 98 104 A D T < 5 + 0 0 77 -3,-1.9 -94,-2.5 1,-0.2 2,-0.5 0.820 55.1 165.8 52.3 39.7 42.3 79.0 14.1 99 105 A I E < +a 4 0A 0 -5,-2.8 -94,-0.2 -96,-0.2 -1,-0.2 -0.751 17.8 164.7 -89.9 124.0 44.1 80.2 17.2 100 106 A G E + 0 0 6 -96,-2.4 29,-2.2 -2,-0.5 2,-0.4 0.313 60.6 65.1-118.5 6.2 47.0 82.5 16.7 101 107 A Y E -ae 5 129A 15 -97,-1.1 -95,-1.6 27,-0.2 2,-0.5 -0.996 55.8-169.6-133.4 135.9 47.3 83.8 20.3 102 108 A F E -ae 6 130A 0 27,-2.9 29,-2.9 -2,-0.4 2,-0.8 -0.920 3.1-176.8-129.9 104.3 48.3 81.9 23.5 103 109 A F E -ae 7 131A 1 -97,-3.3 -95,-1.9 -2,-0.5 2,-0.7 -0.884 8.0-171.7-103.3 105.5 47.8 83.7 26.8 104 110 A Y E -ae 8 132A 4 27,-1.9 29,-2.4 -2,-0.8 2,-0.9 -0.885 7.2-160.4-104.8 114.7 49.1 81.5 29.6 105 111 A N E +ae 9 133A 0 -97,-2.9 -95,-2.4 -2,-0.7 2,-0.2 -0.775 47.0 91.3 -97.1 93.8 48.3 82.7 33.1 106 112 A G E - 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0 0 32 -6,-0.9 -1,-0.2 1,-0.1 -2,-0.1 -0.733 50.6-113.8 -96.2 139.3 53.2 78.2 77.8 269 289 A K - 0 0 117 -2,-0.4 -92,-2.3 -94,-0.3 -91,-1.6 -0.436 45.0-169.6 -66.6 138.7 49.6 77.6 76.8 270 290 A Y E -i 178 0B 62 -94,-0.2 2,-0.3 -93,-0.2 -91,-0.2 -0.772 26.7-162.8-131.3 174.8 49.1 77.8 73.0 271 291 A H E -i 179 0B 111 -93,-1.7 -91,-2.5 -2,-0.2 2,-0.3 -0.968 17.5-171.1-151.3 142.0 46.7 77.9 70.1 272 292 A W E -i 180 0B 109 -2,-0.3 2,-0.3 -93,-0.2 -91,-0.2 -0.976 6.6-172.8-141.7 157.5 47.4 77.2 66.5 273 293 A G E -i 181 0B 19 -93,-2.4 -91,-2.5 -2,-0.3 2,-0.4 -0.972 15.7-148.2-145.3 158.0 45.8 77.5 63.1 274 294 A V E -i 182 0B 57 -2,-0.3 -91,-0.1 -93,-0.2 -93,-0.1 -0.973 7.0-170.8-130.0 113.0 46.5 76.5 59.5 275 295 A A > + 0 0 7 -93,-1.7 3,-1.8 -2,-0.4 4,-0.2 0.892 26.8 155.8 -71.9 -39.9 45.1 78.8 56.8 276 296 A D T >> S+ 0 0 91 -94,-0.5 3,-1.3 1,-0.3 4,-0.6 -0.203 73.4 1.8 48.9-131.2 45.8 76.6 53.9 277 297 A Y H >> S+ 0 0 142 1,-0.2 4,-0.9 2,-0.2 3,-0.9 0.762 121.7 72.9 -54.9 -32.3 43.5 77.4 51.0 278 298 A L H X4 S+ 0 0 117 -3,-1.8 3,-0.6 1,-0.2 4,-0.4 0.860 92.5 56.3 -54.1 -36.9 41.7 80.2 52.8 279 299 A Q H <4 S+ 0 0 2 -3,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.829 112.0 40.8 -68.0 -30.1 44.8 82.5 52.4 280 300 A R H << S+ 0 0 35 -3,-0.9 -208,-0.4 -4,-0.6 -1,-0.2 0.471 117.3 46.1 -98.0 -0.5 44.9 82.1 48.6 281 301 A A S << S+ 0 0 36 -4,-0.9 2,-2.2 -3,-0.6 3,-0.3 0.221 73.7 123.6-121.1 14.3 41.1 82.4 48.0 282 302 A A > + 0 0 4 -4,-0.4 3,-2.0 -3,-0.3 -267,-0.1 -0.278 16.4 147.2 -76.5 56.9 40.4 85.4 50.3 283 303 A R G > + 0 0 1 -2,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.726 63.6 73.3 -64.0 -19.6 38.8 87.7 47.7 284 304 A H G 3 S+ 0 0 87 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.683 113.0 25.3 -68.4 -15.6 36.6 89.1 50.5 285 305 A I G < S+ 0 0 22 -3,-2.0 -1,-0.3 87,-0.1 -2,-0.2 -0.231 91.4 151.7-140.8 46.7 39.7 90.9 51.8 286 306 A A < - 0 0 1 -3,-1.2 85,-0.9 85,-0.5 2,-0.5 -0.319 52.7 -99.5 -77.5 161.2 41.9 91.2 48.7 287 307 A S B > -K 370 0C 0 1,-0.2 4,-2.7 83,-0.2 83,-0.2 -0.708 21.1-149.2 -82.3 125.7 44.4 94.0 48.1 288 308 A K H > S+ 0 0 94 81,-1.9 4,-2.4 -2,-0.5 81,-0.2 0.889 100.9 51.6 -61.3 -38.1 43.0 96.7 45.9 289 309 A T H > S+ 0 0 14 79,-1.6 4,-2.3 80,-0.3 -1,-0.2 0.937 110.4 47.6 -63.4 -46.6 46.5 97.4 44.6 290 310 A D H > S+ 0 0 1 76,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.902 110.9 52.1 -61.3 -42.8 46.9 93.7 43.8 291 311 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.928 111.0 46.7 -60.0 -47.1 43.5 93.5 42.0 292 312 A E H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.882 114.3 47.9 -64.2 -37.9 44.3 96.5 39.8 293 313 A Q H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.896 109.7 52.2 -70.8 -38.9 47.8 95.1 39.0 294 314 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.925 112.6 45.1 -62.6 -43.7 46.3 91.6 38.2 295 315 A Y H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.921 111.3 54.9 -64.4 -44.0 43.8 93.2 35.8 296 316 A A H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.901 104.2 53.0 -55.8 -47.0 46.5 95.4 34.3 297 317 A M H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.858 109.8 48.7 -60.2 -36.8 48.8 92.4 33.5 298 318 A G H X S+ 0 0 0 -4,-1.4 4,-1.3 -3,-0.2 -1,-0.2 0.919 113.2 46.3 -69.6 -43.0 45.9 90.7 31.6 299 319 A Q H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 112.0 51.2 -63.7 -44.5 45.1 93.8 29.6 300 320 A A H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.820 101.7 61.3 -64.1 -33.5 48.7 94.5 28.8 301 321 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.932 108.9 43.1 -59.1 -45.4 49.3 90.9 27.5 302 322 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.932 113.4 50.3 -66.5 -47.5 46.6 91.5 24.8 303 323 A E H X S+ 0 0 86 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.906 111.4 49.3 -59.0 -41.8 47.9 95.0 23.9 304 324 A F H X>S+ 0 0 20 -4,-2.9 5,-2.5 2,-0.2 4,-0.6 0.917 110.4 50.9 -63.9 -42.5 51.5 93.6 23.6 305 325 A A H ><5S+ 0 0 1 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.938 110.8 47.9 -59.6 -48.4 50.3 90.8 21.4 306 326 A V H 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.0 58.2 -63.6 -30.5 48.4 93.2 19.1 307 327 A Q H 3<5S- 0 0 119 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.633 125.9-103.7 -73.7 -13.5 51.4 95.4 18.9 308 328 A G T <<5S+ 0 0 54 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.573 70.8 144.5 104.7 9.5 53.3 92.4 17.5 309 329 A H < - 0 0 77 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.473 25.3-169.6 -81.5 154.7 55.4 91.3 20.5 310 330 A N + 0 0 56 1,-0.2 -179,-0.1 -2,-0.1 3,-0.1 -0.990 57.8 15.9-144.2 150.2 56.0 87.6 21.2 311 331 A S S S+ 0 0 18 -181,-1.4 22,-2.5 -2,-0.3 23,-0.3 0.927 92.3 125.1 54.7 50.4 57.5 85.5 24.0 312 332 A V E -fG 131 332A 6 -182,-0.6 -180,-2.3 20,-0.2 20,-0.2 -0.856 50.5-143.6-133.1 169.7 57.2 88.3 26.6 313 333 A M E - G 0 331A 0 18,-2.6 18,-2.5 -2,-0.3 -180,-0.2 -0.993 21.7-126.3-136.9 123.7 55.7 88.8 30.1 314 334 A P E - G 0 330A 0 0, 0.0 2,-0.3 0, 0.0 16,-0.3 -0.369 34.8-161.5 -66.7 155.2 54.1 92.1 31.2 315 335 A T E - G 0 329A 3 14,-2.3 14,-2.4 -172,-0.1 2,-0.6 -0.878 23.4-117.0-135.2 168.0 55.5 93.4 34.5 316 336 A I E - G 0 328A 2 -170,-0.3 -171,-3.0 -2,-0.3 2,-0.6 -0.932 30.0-161.3-105.0 120.0 54.9 95.7 37.3 317 337 A E E - G 0 327A 81 10,-3.1 10,-1.8 -2,-0.6 2,-0.9 -0.925 12.4-142.2-108.2 119.0 57.5 98.5 37.5 318 338 A R E + G 0 326A 62 -2,-0.6 8,-0.3 8,-0.2 3,-0.1 -0.696 24.4 174.6 -79.1 107.0 57.8 100.3 40.8 319 339 A I E - 0 0 99 6,-2.0 2,-0.3 -2,-0.9 7,-0.2 0.822 62.6 -3.3 -82.9 -33.7 58.5 103.9 39.7 320 340 A S E G 0 325A 41 5,-1.6 5,-2.5 3,-0.0 -1,-0.3 -0.992 360.0 360.0-157.5 158.9 58.4 105.5 43.1 321 341 A A 0 0 75 -2,-0.3 3,-0.1 3,-0.3 41,-0.1 -0.685 360.0 360.0-120.9 360.0 57.8 104.8 46.8 322 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 323 343 A P 0 0 124 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 170.6 54.2 107.7 47.3 324 344 A Y + 0 0 47 -3,-0.1 2,-0.4 -5,-0.1 -3,-0.3 -0.514 360.0 172.1 -69.1 126.2 54.0 104.2 45.8 325 345 A Q E +G 320 0A 110 -5,-2.5 -6,-2.0 -2,-0.3 -5,-1.6 -0.999 5.3 178.2-137.3 137.8 53.7 104.5 42.0 326 346 A W E -G 318 0A 69 -2,-0.4 2,-0.3 -8,-0.3 -8,-0.2 -0.948 7.3-172.8-139.0 159.7 53.8 101.7 39.4 327 347 A K E -G 317 0A 112 -10,-1.8 -10,-3.1 -2,-0.3 2,-0.4 -0.904 36.7 -88.6-142.6 169.5 53.5 101.3 35.7 328 348 A V E +G 316 0A 48 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.695 45.6 177.1 -86.9 130.8 53.3 98.4 33.2 329 349 A G E -G 315 0A 8 -14,-2.4 -14,-2.3 -2,-0.4 2,-0.4 -0.610 20.8-127.2-119.4-176.4 56.7 97.1 31.9 330 350 A M E -G 314 0A 68 -16,-0.3 2,-0.4 -2,-0.2 -2,-0.0 -0.991 17.1-169.1-141.2 130.5 57.6 94.2 29.5 331 351 A A E -G 313 0A 2 -18,-2.5 -18,-2.6 -2,-0.4 2,-0.3 -0.907 25.1-120.6-119.2 147.4 60.1 91.4 30.0 332 352 A Q E >> -G 312 0A 109 -2,-0.4 3,-1.7 -20,-0.2 4,-0.5 -0.636 23.3-130.0 -79.9 140.1 61.5 88.9 27.5 333 353 A L H >> S+ 0 0 0 -22,-2.5 4,-3.3 -2,-0.3 3,-0.6 0.729 105.3 70.7 -65.6 -20.2 60.8 85.3 28.5 334 354 A S H 34 S+ 0 0 81 -23,-0.3 -1,-0.3 1,-0.3 -22,-0.1 0.748 100.8 48.7 -66.1 -20.5 64.4 84.4 28.0 335 355 A Q H <4 S+ 0 0 110 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.624 116.4 41.6 -91.1 -17.0 65.0 86.5 31.1 336 356 A V H << S+ 0 0 2 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.831 81.5 107.8 -97.3 -41.6 62.2 84.8 33.1 337 357 A A S < S- 0 0 23 -4,-3.3 -228,-0.1 -226,-0.2 -229,-0.1 -0.145 99.1 -23.5 -41.9 119.1 62.7 81.2 32.2 338 358 A N S S+ 0 0 142 -230,-0.3 -227,-0.0 -196,-0.0 0, 0.0 -0.015 99.5 100.2 59.2-174.2 64.1 79.7 35.4 339 359 A V - 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