==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-08 3DBK . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.B.MCKAY,M.T.OVERGAARD . 299 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.7 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 0 0 0 1 1 0 0 3 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 0 PARALLEL BRIDGES PER LADDER . 5 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A 0 0 79 0, 0.0 25,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.2 21.2 -3.3 -10.7 2 2 A E E +A 25 0A 137 23,-0.2 2,-0.3 21,-0.0 23,-0.2 -0.854 360.0 167.2-108.4 138.6 18.5 -1.0 -9.3 3 3 A A E -A 24 0A 7 21,-2.6 21,-2.6 -2,-0.4 2,-0.3 -0.821 11.2-161.4-136.0 174.1 15.3 -2.2 -7.6 4 4 A G B +b 60 0B 9 55,-2.9 57,-2.5 -2,-0.3 14,-0.2 -0.878 18.8 136.6-149.2-178.7 12.5 -0.6 -5.6 5 5 A G E -C 17 0C 3 12,-1.5 12,-3.5 -2,-0.3 57,-0.2 -0.849 50.2 -49.2 153.3 172.0 9.7 -1.2 -3.2 6 6 A P E +C 16 0C 15 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.207 46.8 171.6 -70.9 160.5 7.9 -0.0 -0.0 7 7 A G E +C 15 0C 0 8,-2.1 8,-1.8 67,-0.1 2,-0.1 -0.930 32.1 50.8-155.7 173.8 9.5 0.8 3.3 8 8 A G E -C 14 0C 2 -2,-0.3 62,-2.3 63,-0.2 63,-0.5 -0.413 63.9-107.6 90.7-167.2 8.7 2.3 6.7 9 9 A N E > -CD 13 69C 7 4,-0.9 4,-2.2 60,-0.3 60,-0.2 -0.903 37.2 -82.3-153.5-179.3 5.9 1.5 9.1 10 10 A Q T 4 S+ 0 0 126 58,-2.0 4,-0.1 -2,-0.3 59,-0.1 0.731 121.3 53.8 -67.3 -21.0 2.6 3.0 10.5 11 11 A K T 4 S+ 0 0 50 178,-0.2 -1,-0.2 57,-0.2 179,-0.1 0.961 122.8 23.7 -77.2 -53.1 4.4 5.2 13.0 12 12 A I T 4 S- 0 0 65 177,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.632 117.0-113.5 -87.5 -15.5 6.9 7.0 10.7 13 13 A G E < -C 9 0C 27 -4,-2.2 -4,-0.9 2,-0.0 2,-0.3 -0.155 30.8 -69.4 102.7 161.0 4.8 6.5 7.6 14 14 A K E +C 8 0C 126 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.684 49.9 167.2 -92.2 143.3 5.1 4.6 4.3 15 15 A Y E -C 7 0C 25 -8,-1.8 -8,-2.1 -2,-0.3 2,-0.4 -0.901 26.3-123.5-144.4 171.0 7.6 5.5 1.6 16 16 A T E >>> -C 6 0C 48 -2,-0.3 4,-1.6 -10,-0.2 3,-1.5 -0.979 12.6-132.3-130.3 129.6 9.0 3.9 -1.5 17 17 A Y E 345S+Ce 5 21C 2 -12,-3.5 -12,-1.5 -2,-0.4 5,-0.2 -0.611 99.9 34.8 -74.8 130.9 12.5 3.1 -2.5 18 18 A G T 345S+ 0 0 50 3,-2.5 -1,-0.3 4,-0.4 4,-0.2 0.304 129.1 37.7 104.2 -4.8 13.1 4.3 -6.1 19 19 A S T <45S+ 0 0 95 -3,-1.5 -2,-0.2 2,-0.4 -1,-0.1 0.430 125.9 21.3-134.9 -76.0 10.8 7.3 -5.5 20 20 A D T <5S+ 0 0 102 -4,-1.6 2,-0.3 2,-0.1 -3,-0.2 0.826 135.8 18.2 -71.2 -33.1 10.9 9.0 -2.0 21 21 A Y B - 0 0 31 4,-1.7 3,-2.1 -2,-0.2 -1,-0.1 -0.282 45.7 -83.4 -94.7-174.3 22.8 -8.0 -8.3 28 28 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.602 129.9 56.4 -65.7 -12.0 22.1 -9.5 -11.8 29 29 A R T 3 S- 0 0 114 2,-0.1 -1,-0.3 28,-0.0 27,-0.2 0.338 116.9-115.4 -98.0 4.1 20.1 -12.3 -10.1 30 30 A a < + 0 0 11 -3,-2.1 26,-2.2 1,-0.2 2,-0.3 0.915 68.3 145.7 57.6 46.1 17.9 -9.7 -8.4 31 31 A E B -G 55 0D 17 24,-0.2 2,-2.2 2,-0.2 -4,-1.7 -0.835 64.6-106.0-108.5 149.9 19.2 -10.8 -5.0 32 32 A M S S+ 0 0 0 22,-2.6 7,-2.1 -2,-0.3 2,-0.3 -0.530 81.5 115.8 -79.1 77.8 19.7 -8.5 -2.1 33 33 A D B +H 38 0E 40 -2,-2.2 5,-0.2 5,-0.2 -2,-0.2 -0.886 34.6 175.4-145.9 106.2 23.5 -8.4 -2.4 34 34 A D - 0 0 41 3,-1.9 4,-0.1 -2,-0.3 -8,-0.1 0.221 64.2 -93.3-100.0 14.7 25.0 -5.1 -3.3 35 35 A G S S+ 0 0 36 2,-0.4 3,-0.1 1,-0.1 -9,-0.0 0.136 122.5 38.5 96.6 -19.3 28.6 -6.3 -3.0 36 36 A N S S+ 0 0 62 1,-0.3 64,-2.4 63,-0.1 2,-0.4 0.569 113.2 49.5-129.4 -32.2 29.0 -5.2 0.6 37 37 A V E - i 0 100E 0 62,-0.2 -3,-1.9 64,-0.0 2,-0.4 -0.950 56.3-170.8-120.5 135.7 25.6 -6.0 2.2 38 38 A I E -Hi 33 101E 8 62,-3.1 64,-3.1 -2,-0.4 2,-0.5 -0.995 9.9-157.6-125.2 124.3 23.6 -9.2 2.0 39 39 A T E - i 0 102E 0 -7,-2.1 15,-3.0 -2,-0.4 2,-0.4 -0.917 9.4-161.9-109.8 127.6 20.0 -9.3 3.3 40 40 A V E - i 0 103E 3 62,-3.1 64,-2.6 -2,-0.5 2,-0.9 -0.888 17.2-138.3-113.4 135.9 18.5 -12.6 4.4 41 41 A D E - i 0 104E 34 11,-0.5 64,-0.2 -2,-0.4 11,-0.1 -0.812 18.6-176.7 -90.7 105.8 14.9 -13.5 4.9 42 42 A M > - 0 0 1 62,-2.9 3,-2.3 -2,-0.9 5,-0.2 0.675 22.3-147.5 -77.2 -17.8 14.8 -15.7 8.0 43 43 A N T 3 S- 0 0 93 61,-0.3 63,-0.1 1,-0.3 62,-0.1 0.874 72.0 -52.7 51.0 42.6 11.1 -16.4 7.7 44 44 A S T 3 S+ 0 0 45 61,-2.6 -1,-0.3 1,-0.3 62,-0.2 0.477 108.6 132.5 72.6 6.2 10.9 -16.5 11.6 45 45 A S < - 0 0 37 -3,-2.3 62,-2.3 60,-0.2 -1,-0.3 -0.407 47.8-159.2 -81.9 162.6 13.7 -19.0 11.8 46 46 A T + 0 0 83 60,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.129 46.5 134.6-124.2 13.7 16.6 -18.6 14.2 47 47 A D > - 0 0 76 -5,-0.2 3,-1.8 1,-0.2 -2,-0.1 -0.557 44.1-158.4 -70.6 107.0 18.9 -21.0 12.3 48 48 A D T 3 S+ 0 0 114 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.0 0.666 84.3 72.7 -61.1 -18.5 22.2 -19.2 12.1 49 49 A S T 3 S+ 0 0 74 2,-0.0 2,-0.6 -3,-0.0 -1,-0.3 0.654 70.1 105.3 -73.0 -14.9 23.2 -21.3 9.0 50 50 A K < + 0 0 61 -3,-1.8 -10,-0.1 1,-0.2 -8,-0.0 -0.559 30.4 142.9 -71.5 116.3 20.8 -19.3 6.8 51 51 A T + 0 0 68 -2,-0.6 -1,-0.2 2,-0.1 -9,-0.0 0.196 20.8 130.1-138.9 14.0 22.9 -17.0 4.7 52 52 A T - 0 0 105 -11,-0.1 -11,-0.5 1,-0.1 2,-0.1 -0.583 60.9-117.2 -77.4 129.1 21.1 -17.0 1.3 53 53 A P - 0 0 22 0, 0.0 -13,-0.2 0, 0.0 -20,-0.1 -0.397 35.6-102.1 -65.4 138.3 20.4 -13.5 -0.1 54 54 A F - 0 0 29 -15,-3.0 -22,-2.6 -22,-0.3 2,-0.4 -0.395 43.3-160.1 -60.9 133.6 16.7 -12.7 -0.5 55 55 A R B +G 31 0D 133 -24,-0.2 2,-0.3 -2,-0.1 -24,-0.2 -0.948 16.5 163.8-122.5 139.1 15.8 -13.1 -4.2 56 56 A F - 0 0 26 -26,-2.2 2,-0.8 -2,-0.4 5,-0.1 -0.858 46.7 -84.3-143.2 176.2 12.8 -11.6 -6.0 57 57 A A S > S- 0 0 88 -2,-0.3 3,-0.6 3,-0.2 -27,-0.1 -0.795 72.9 -91.3 -87.6 111.2 11.4 -10.9 -9.4 58 58 A a T 3 S+ 0 0 61 -2,-0.8 -55,-0.1 1,-0.3 -1,-0.0 -0.168 90.8 23.2 -64.4 161.4 12.9 -7.5 -10.3 59 59 A P T 3 S+ 0 0 84 0, 0.0 -55,-2.9 0, 0.0 2,-0.4 -0.991 113.8 41.1 -95.5 3.4 12.5 -4.6 -10.3 60 60 A T B < -b 4 0B 81 -3,-0.6 2,-0.5 -57,-0.2 -55,-0.2 -0.914 51.3-170.4-119.6 134.4 10.0 -4.4 -7.3 61 61 A N + 0 0 6 -57,-2.5 13,-0.1 -2,-0.4 -3,-0.0 -0.975 14.4 164.7-117.7 125.8 9.9 -6.2 -4.0 62 62 A T + 0 0 99 -2,-0.5 2,-0.6 -57,-0.2 3,-0.1 0.280 26.5 154.3-117.9 6.3 6.9 -5.9 -1.8 63 63 A Y + 0 0 95 1,-0.2 11,-0.3 8,-0.1 10,-0.2 -0.714 50.3 7.3 -82.9 119.8 7.6 -8.8 0.6 64 64 A K - 0 0 37 -2,-0.6 2,-0.4 7,-0.1 -1,-0.2 0.687 38.0-170.9-149.9 158.9 6.3 -8.4 3.2 65 65 A Q + 0 0 139 6,-0.1 2,-0.3 -3,-0.1 5,-0.2 -0.732 37.1 158.6 -85.4 131.4 4.0 -6.3 5.4 66 66 A V B > -F 69 0C 33 3,-1.9 3,-2.4 -2,-0.4 5,-0.1 -0.960 55.8 -9.6-158.1 136.7 4.2 -7.5 9.0 67 67 A N T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.3 59,-0.1 0.830 129.9 -45.1 42.8 47.7 3.5 -6.0 12.4 68 68 A G T 3 S+ 0 0 18 1,-0.3 -58,-2.0 62,-0.1 2,-0.3 0.436 115.2 111.6 83.8 -2.2 2.8 -2.5 11.0 69 69 A A B < -DF 9 66C 5 -3,-2.4 -3,-1.9 -60,-0.2 -1,-0.3 -0.784 58.6-147.0-104.4 151.7 5.9 -2.4 8.8 70 70 A Y S S- 0 0 49 -62,-2.3 -61,-0.1 -2,-0.3 -6,-0.1 0.796 82.9 -14.0 -88.9 -31.3 5.7 -2.4 4.9 71 71 A S > - 0 0 0 -63,-0.5 4,-2.1 -5,-0.1 3,-0.2 -0.394 52.4-177.0-172.6 88.5 8.9 -4.3 4.1 72 72 A P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.840 89.0 59.2 -58.2 -33.0 11.6 -4.9 6.7 73 73 A L H > S+ 0 0 0 -10,-0.2 4,-2.3 2,-0.2 5,-0.2 0.932 106.1 46.4 -61.5 -46.9 13.7 -6.6 4.0 74 74 A N H > S+ 0 0 0 -11,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.937 115.5 46.1 -61.2 -47.8 13.8 -3.5 1.9 75 75 A D H X S+ 0 0 9 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.924 112.3 49.9 -61.8 -46.2 14.6 -1.2 4.9 76 76 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.914 112.4 47.0 -61.2 -43.1 17.3 -3.5 6.2 77 77 A H H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.953 116.0 44.2 -64.4 -48.3 19.0 -3.8 2.9 78 78 A F H X S+ 0 0 31 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.934 116.0 46.3 -61.9 -48.1 18.9 -0.1 2.2 79 79 A F H X S+ 0 0 8 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.831 107.0 57.4 -67.1 -31.7 20.0 0.9 5.7 80 80 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.920 108.4 49.3 -62.0 -39.8 22.8 -1.7 5.7 81 81 A G H X S+ 0 0 10 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.887 108.6 51.9 -64.7 -40.4 24.0 0.2 2.6 82 82 A V H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 110.1 48.4 -62.3 -45.5 23.7 3.6 4.4 83 83 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.902 111.4 50.4 -62.8 -40.3 25.8 2.3 7.3 84 84 A F H X S+ 0 0 27 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.938 112.0 47.5 -63.2 -45.2 28.4 0.9 5.0 85 85 A K H X S+ 0 0 86 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.834 107.4 57.0 -65.8 -32.5 28.6 4.2 3.1 86 86 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.957 110.3 42.3 -64.1 -50.3 28.8 6.2 6.3 87 87 A Y H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 6,-1.3 0.873 117.3 49.5 -64.6 -34.6 31.9 4.4 7.5 88 88 A R H X S+ 0 0 116 -4,-2.0 4,-1.7 4,-0.2 -2,-0.2 0.969 116.7 39.1 -66.8 -53.7 33.4 4.5 4.0 89 89 A D H < S+ 0 0 82 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.882 126.2 33.7 -65.2 -43.2 32.8 8.3 3.4 90 90 A W H < S+ 0 0 23 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.772 136.5 16.7 -87.0 -27.8 33.7 9.5 6.9 91 91 A F H < S- 0 0 19 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.436 89.7-123.9-127.9 -0.6 36.4 7.0 7.9 92 92 A G S < S+ 0 0 67 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.845 78.1 91.3 59.9 36.4 37.7 5.3 4.7 93 93 A T S S- 0 0 50 -6,-1.3 -2,-0.2 -9,-0.1 -1,-0.2 -0.986 78.6-102.4-155.2 159.7 37.0 1.8 6.0 94 94 A S - 0 0 36 -2,-0.3 -10,-0.1 2,-0.1 -9,-0.1 -0.527 30.4-125.1 -81.1 152.4 34.3 -0.8 6.1 95 95 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.808 94.0 32.5 -69.0 -25.2 32.3 -1.2 9.3 96 96 A L S S- 0 0 8 2,-0.2 -2,-0.1 1,-0.0 4,-0.1 -0.886 77.3-124.1-129.3 160.8 33.2 -4.9 9.5 97 97 A T S S+ 0 0 117 -2,-0.3 2,-0.2 48,-0.1 -1,-0.0 0.483 100.4 27.7 -80.0 -2.2 36.2 -7.1 8.4 98 98 A H S S- 0 0 72 1,-0.1 -2,-0.2 20,-0.0 20,-0.0 -0.804 108.6 -54.0-143.3-177.9 33.7 -9.2 6.4 99 99 A K - 0 0 90 -2,-0.2 2,-0.7 1,-0.1 -62,-0.2 -0.241 53.5-112.3 -65.3 152.2 30.4 -8.7 4.5 100 100 A L E -i 37 0E 0 -64,-2.4 -62,-3.1 -4,-0.1 2,-0.7 -0.787 29.4-164.5 -88.0 117.0 27.4 -7.3 6.3 101 101 A Y E -i 38 0E 62 -2,-0.7 19,-2.7 17,-0.3 2,-0.8 -0.920 0.4-164.7-105.7 113.8 24.7 -10.0 6.7 102 102 A M E -ij 39 120E 0 -64,-3.1 -62,-3.1 -2,-0.7 2,-0.8 -0.881 4.3-164.0-100.6 106.8 21.3 -8.4 7.6 103 103 A K E -ij 40 121E 4 17,-3.2 19,-2.9 -2,-0.8 3,-0.4 -0.822 13.0-171.6 -99.5 105.4 19.1 -11.2 8.9 104 104 A V E +ij 41 122E 0 -64,-2.6 -62,-2.9 -2,-0.8 -61,-0.3 -0.563 61.1 28.7 -97.3 156.6 15.5 -10.0 8.8 105 105 A H S S- 0 0 0 17,-0.6 -61,-2.6 1,-0.2 2,-0.4 0.880 82.6-179.2 61.2 38.8 12.3 -11.6 10.2 106 106 A Y > - 0 0 46 16,-2.2 4,-0.5 -3,-0.4 18,-0.4 -0.579 42.9 -25.8 -75.9 124.5 14.5 -13.3 12.8 107 107 A G T 4 S- 0 0 0 -62,-2.3 2,-0.7 -2,-0.4 17,-0.1 -0.032 99.0 -45.0 68.2-173.1 12.7 -15.6 15.2 108 108 A R T 4 S- 0 0 216 1,-0.2 -1,-0.1 15,-0.1 -2,-0.1 -0.855 111.0 -35.1-101.8 109.2 9.1 -15.5 16.3 109 109 A S T 4 S- 0 0 79 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.861 82.7-172.0 48.3 45.1 7.8 -12.0 17.2 110 110 A V < - 0 0 27 -4,-0.5 15,-2.1 -3,-0.1 2,-1.3 -0.549 19.9-153.7 -74.8 120.8 11.3 -11.1 18.6 111 111 A E + 0 0 51 -2,-0.4 2,-0.3 13,-0.1 -1,-0.1 -0.433 68.7 52.3 -89.9 59.0 11.3 -7.7 20.4 112 112 A N - 0 0 28 -2,-1.3 11,-2.2 188,-0.1 2,-0.3 -0.982 64.3-134.9-173.6 175.3 15.0 -7.1 19.8 113 113 A A E -K 122 0E 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 28.0-171.0-143.2 152.7 17.9 -6.8 17.4 114 114 A Y E -K 121 0E 54 7,-2.5 7,-2.7 -2,-0.3 2,-0.5 -0.948 33.1-138.4-148.0 166.2 21.4 -8.3 17.8 115 115 A W E -K 120 0E 32 -2,-0.3 5,-0.2 5,-0.2 27,-0.0 -0.999 24.5-174.7-119.3 116.4 25.0 -8.6 16.7 116 116 A D - 0 0 67 3,-2.4 4,-0.1 -2,-0.5 -1,-0.1 0.304 54.8 -91.2-101.9 12.9 25.8 -12.3 17.1 117 117 A G S S+ 0 0 26 2,-0.3 3,-0.1 1,-0.0 -2,-0.0 0.234 121.6 36.4 100.8 -14.3 29.5 -12.2 16.2 118 118 A T S S+ 0 0 81 1,-0.4 -17,-0.3 -17,-0.1 2,-0.3 0.525 120.5 11.1-137.1 -32.0 29.0 -12.9 12.5 119 119 A A - 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0 0 3 1,-0.1 -9,-0.2 -6,-0.1 3,-0.1 -0.752 31.7-101.2-136.9-179.4 11.7 6.1 22.3 197 197 A L S S+ 0 0 32 -11,-2.3 2,-0.3 1,-0.2 -10,-0.2 0.922 102.8 4.0 -73.8 -47.2 13.7 3.2 23.7 198 198 A R E -M 186 0G 7 -12,-1.1 -12,-2.6 -3,-0.0 2,-0.4 -0.948 65.9-143.9-138.6 158.9 16.5 5.4 25.1 199 199 A Y E -M 185 0G 31 -2,-0.3 -14,-0.2 4,-0.3 7,-0.1 -0.968 4.1-164.7-126.1 139.2 17.2 9.1 25.4 200 200 A M S S+ 0 0 0 -16,-1.7 34,-0.2 -2,-0.4 35,-0.2 0.800 85.9 56.7 -94.6 -31.0 20.5 10.9 25.2 201 201 A D S S+ 0 0 61 -17,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.914 133.3 4.9 -66.2 -41.5 19.7 14.3 26.6 202 202 A Q S > S- 0 0 93 1,-0.1 3,-2.4 8,-0.0 -1,-0.3 -0.721 70.2-172.3-144.0 85.0 18.5 12.8 29.9 203 203 A P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 6,-0.6 0.838 80.9 69.3 -47.5 -40.3 19.1 9.0 29.9 204 204 A S G > S+ 0 0 40 1,-0.3 3,-2.2 2,-0.2 7,-0.1 0.553 72.9 90.5 -60.2 -7.2 17.1 8.6 33.2 205 205 A R G < S+ 0 0 119 -3,-2.4 -1,-0.3 1,-0.3 -7,-0.0 0.765 80.7 59.4 -60.6 -23.5 13.9 9.5 31.3 206 206 A D G < S- 0 0 46 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.440 115.1-118.2 -84.9 1.0 13.5 5.8 30.6 207 207 A G S < S+ 0 0 49 -3,-2.2 -3,-0.1 2,-0.1 -2,-0.1 0.609 100.3 51.7 74.5 14.0 13.4 5.1 34.3 208 208 A R S S+ 0 0 168 -5,-0.4 -4,-0.2 15,-0.1 -1,-0.1 0.517 80.8 89.3-144.5 -40.5 16.6 2.9 34.4 209 209 A S - 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0 0 18 -3,-2.1 -1,-0.4 1,-0.1 2,-0.1 -0.482 56.8-114.7 -72.6 136.4 23.7 -2.1 36.4 221 221 A D >> - 0 0 59 -2,-0.2 4,-2.2 1,-0.1 3,-2.1 -0.436 19.3-123.1 -69.9 143.4 22.7 -3.2 32.9 222 222 A V H 3> S+ 0 0 6 1,-0.3 4,-0.7 2,-0.2 -58,-0.2 0.755 112.9 57.6 -60.1 -24.8 25.0 -2.1 30.1 223 223 A H H 34 S+ 0 0 7 2,-0.2 -1,-0.3 1,-0.2 -14,-0.1 0.543 110.6 44.6 -82.4 -6.8 22.2 -0.4 28.3 224 224 A H H X4 S+ 0 0 39 -3,-2.1 -14,-2.1 -15,-0.1 3,-1.4 0.777 110.1 50.7-100.9 -39.8 21.7 1.7 31.4 225 225 A S H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.3 4,-0.5 0.673 94.1 76.9 -71.6 -15.8 25.3 2.6 32.2 226 226 A S T 3X S+ 0 0 0 -4,-0.7 4,-2.7 -5,-0.3 -1,-0.3 0.705 73.1 83.9 -66.2 -17.9 25.6 3.7 28.5 227 227 A G H <> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.830 81.5 60.0 -55.1 -34.6 23.7 6.8 29.6 228 228 A V H <> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.952 113.1 34.4 -60.8 -51.8 27.0 8.4 30.8 229 229 A Y H > S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.2 -2,-0.2 0.843 115.7 56.8 -73.5 -33.4 28.7 8.3 27.4 230 230 A N H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 109.8 45.9 -62.8 -41.4 25.4 8.9 25.5 231 231 A R H X S+ 0 0 63 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.888 110.3 52.7 -69.0 -38.6 24.9 12.1 27.5 232 232 A A H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.925 110.3 49.2 -61.1 -42.1 28.5 13.2 26.9 233 233 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.913 110.7 50.3 -62.0 -43.7 28.0 12.7 23.2 234 234 A Y H X S+ 0 0 64 -4,-2.2 4,-1.7 -34,-0.2 -2,-0.2 0.928 111.3 47.6 -61.3 -46.7 24.8 14.7 23.3 235 235 A L H < S+ 0 0 49 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.908 115.3 46.2 -61.8 -42.4 26.5 17.6 25.1 236 236 A L H >< S+ 0 0 1 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.947 110.7 50.3 -66.5 -49.9 29.4 17.5 22.7 237 237 A A H 3< S+ 0 0 6 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.7 47.5 -58.6 -32.0 27.3 17.3 19.5 238 238 A N T 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.239 87.8 113.6 -95.0 13.1 25.2 20.3 20.8 239 239 A S S X S- 0 0 25 -3,-1.9 3,-2.5 1,-0.1 -3,-0.0 -0.564 85.0 -82.0 -82.6 148.5 28.3 22.4 21.7 240 240 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.240 117.7 12.6 -52.3 127.6 28.9 25.6 19.7 241 241 A G T 3 S+ 0 0 65 1,-0.3 2,-0.2 -3,-0.1 -3,-0.1 0.337 111.1 100.6 88.0 -8.6 30.7 24.8 16.4 242 242 A W < + 0 0 28 -3,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.542 44.0 178.5-104.7 172.1 30.0 21.0 16.7 243 243 A D > - 0 0 51 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.933 49.0 -83.3-159.2 174.1 27.5 18.7 15.2 244 244 A T H > S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.866 123.9 53.1 -56.6 -39.1 26.7 15.0 15.2 245 245 A R H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 110.2 45.5 -62.6 -51.2 29.3 14.1 12.6 246 246 A K H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 113.6 50.5 -60.5 -40.1 32.2 15.8 14.4 247 247 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.925 112.3 46.4 -64.1 -43.8 31.1 14.2 17.7 248 248 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 3,-0.3 0.905 105.7 61.4 -66.5 -38.7 30.9 10.8 16.2 249 249 A E H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.895 104.3 47.1 -54.7 -44.6 34.3 11.2 14.5 250 250 A V H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.830 113.3 48.4 -71.0 -29.1 36.2 11.6 17.7 251 251 A F H X S+ 0 0 2 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.873 111.7 49.6 -76.3 -36.6 34.5 8.6 19.3 252 252 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.933 110.2 50.9 -65.9 -44.6 35.2 6.4 16.2 253 253 A D H X>S+ 0 0 10 -4,-2.4 4,-3.3 -5,-0.2 5,-0.6 0.913 110.5 49.5 -58.2 -42.7 38.8 7.5 16.3 254 254 A A H X>S+ 0 0 0 -4,-1.6 5,-3.2 2,-0.2 4,-1.9 0.937 111.6 48.8 -61.1 -45.9 39.0 6.6 19.9 255 255 A N H <5S+ 0 0 1 -4,-2.4 -104,-0.3 3,-0.2 -2,-0.2 0.908 119.2 39.2 -60.1 -43.1 37.4 3.2 19.2 256 256 A R H <5S+ 0 0 69 -4,-2.8 -2,-0.2 -106,-0.1 -1,-0.2 0.869 133.1 15.8 -77.0 -39.9 39.9 2.6 16.3 257 257 A Y H <5S+ 0 0 135 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.664 130.1 23.5-113.4 -19.4 43.1 4.0 17.7 258 258 A Y T < - 0 0 74 -108,-0.1 3,-1.6 1,-0.0 -109,-0.1 -0.707 36.5 -93.0-118.1 171.7 41.5 -1.0 24.8 261 261 A A T 3 S+ 0 0 42 1,-0.3 -107,-2.7 -2,-0.2 -109,-0.1 0.785 125.8 35.4 -56.9 -28.0 39.3 -4.0 25.6 262 262 A T T 3 S+ 0 0 96 -109,-0.2 -1,-0.3 -111,-0.1 -103,-0.1 0.135 79.4 144.9-116.4 22.4 39.0 -2.9 29.2 263 263 A S < - 0 0 7 -3,-1.6 2,-0.2 -112,-0.1 -101,-0.2 -0.300 33.3-154.8 -59.0 140.8 38.9 0.9 28.9 264 264 A N > - 0 0 67 -106,-0.1 4,-2.6 -105,-0.1 5,-0.3 -0.504 36.8 -81.2-108.2-177.8 36.7 2.5 31.6 265 265 A Y H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 30,-0.1 0.930 128.3 39.5 -47.4 -56.8 34.8 5.8 31.5 266 266 A N H > S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.927 117.8 45.0 -62.3 -51.7 37.9 7.8 32.5 267 267 A S H > S+ 0 0 47 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.824 111.6 55.5 -66.3 -29.1 40.5 6.1 30.5 268 268 A G H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.807 97.2 63.3 -72.7 -29.4 38.3 6.1 27.5 269 269 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.858 92.6 64.8 -63.1 -34.6 37.8 9.8 27.6 270 270 A b H X S+ 0 0 41 -4,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.896 101.4 49.0 -55.4 -44.0 41.5 10.3 27.0 271 271 A G H X S+ 0 0 4 -4,-0.7 4,-1.9 -3,-0.4 -1,-0.2 0.836 111.1 48.9 -66.7 -34.6 41.3 8.8 23.5 272 272 A V H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.920 112.7 47.6 -71.4 -43.1 38.3 10.9 22.5 273 273 A I H X S+ 0 0 23 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.930 113.6 47.9 -63.1 -45.1 39.9 14.1 23.7 274 274 A R H X S+ 0 0 122 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.874 108.2 55.0 -63.8 -37.9 43.2 13.2 21.9 275 275 A S H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.865 104.8 54.4 -63.5 -35.0 41.2 12.4 18.7 276 276 A A H <>S+ 0 0 0 -4,-1.7 5,-3.2 1,-0.2 3,-0.3 0.936 108.3 48.7 -62.9 -45.4 39.7 15.8 18.9 277 277 A Q H ><5S+ 0 0 88 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.897 107.2 56.4 -60.8 -40.7 43.2 17.3 18.9 278 278 A N H 3<5S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.7 43.7 -60.3 -34.8 44.2 15.1 16.0 279 279 A R T 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.302 117.5-112.5 -94.3 8.9 41.3 16.6 13.9 280 280 A N T < 5S+ 0 0 151 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.839 72.9 137.4 63.3 33.6 42.0 20.1 15.1 281 281 A Y < - 0 0 61 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.635 68.0 -75.6-101.5 167.3 38.8 20.3 17.0 282 282 A S > - 0 0 45 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 -0.504 36.6-172.3 -70.7 110.2 38.4 21.7 20.5 283 283 A A H > S+ 0 0 19 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.860 87.8 60.6 -66.8 -34.4 39.8 19.4 23.1 284 284 A A H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 100.9 52.9 -60.2 -39.7 38.4 21.7 25.7 285 285 A D H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 111.0 46.0 -64.6 -39.2 34.9 21.2 24.4 286 286 A V H X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.924 112.1 51.2 -68.6 -44.0 35.3 17.4 24.7 287 287 A T H X S+ 0 0 68 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.911 110.1 50.3 -58.6 -42.8 36.8 17.7 28.1 288 288 A R H X S+ 0 0 177 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.908 107.3 52.9 -63.6 -43.8 33.9 19.8 29.2 289 289 A A H X S+ 0 0 6 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.930 114.3 42.3 -58.5 -46.8 31.3 17.4 27.9 290 290 A F H ><>S+ 0 0 3 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.915 111.1 54.6 -67.1 -42.9 32.8 14.5 29.9 291 291 A S H ><5S+ 0 0 74 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.882 101.6 60.4 -58.3 -38.2 33.4 16.6 33.0 292 292 A T H 3<5S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 108.9 42.3 -57.6 -38.5 29.7 17.5 33.0 293 293 A V T <<5S- 0 0 0 -4,-1.0 -80,-2.7 -3,-0.6 -1,-0.3 0.238 127.0 -96.2 -95.4 13.1 28.8 13.8 33.3 294 294 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.679 80.8 131.3 84.6 20.6 31.5 13.0 35.9 295 295 A V < + 0 0 1 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.906 27.0 175.4-112.0 132.8 34.2 11.6 33.6 296 296 A T - 0 0 92 -2,-0.4 -26,-0.1 -5,-0.1 -27,-0.1 -0.995 33.3-120.8-138.7 129.7 37.8 12.8 33.7 297 297 A b 0 0 48 -2,-0.4 -30,-0.2 -28,-0.1 -31,-0.1 -0.555 360.0 360.0 -70.0 121.3 40.9 11.5 31.8 298 298 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.158 360.0 360.0 -48.7 360.0 43.4 10.3 34.4 299 ! 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 0.0 300 2001 A X 0 0 155 0, 0.0 -186,-0.1 0, 0.0 -188,-0.1 0.000 360.0 360.0 360.0 360.0 19.6 -3.3 21.2