==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-92 1EZM . COMPND 2 MOLECULE: PSEUDOMONAS ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.M.THAYER,K.M.FLAHERTY,D.B.MCKAY . 298 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.0 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 . 3 1.0 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 . 1 0.3 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 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 85 0, 0.0 25,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -34.7 35.3 27.0 46.5 2 2 A E E +A 25 0A 136 23,-0.2 2,-0.2 21,-0.0 23,-0.2 -0.943 360.0 156.4-115.9 141.5 37.6 29.9 47.6 3 3 A A E -A 24 0A 7 21,-2.0 21,-2.6 -2,-0.4 2,-0.3 -0.833 16.4-162.6-145.7 178.8 41.3 29.3 48.2 4 4 A G B +b 60 0B 9 55,-2.6 57,-2.5 -2,-0.2 14,-0.2 -0.885 18.3 142.0-156.2-175.1 44.5 31.4 48.3 5 5 A G E -C 17 0C 4 12,-1.2 12,-3.2 -2,-0.3 57,-0.2 -0.873 51.1 -44.0 148.9 176.3 48.3 31.4 48.2 6 6 A P E +C 16 0C 17 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.225 45.6 170.7 -75.3 166.1 51.2 33.4 46.7 7 7 A G E +C 15 0C 0 8,-2.2 8,-1.8 67,-0.1 2,-0.1 -0.906 34.5 59.5-157.7 173.8 51.7 34.8 43.3 8 8 A G E -C 14 0C 1 -2,-0.3 62,-2.2 6,-0.2 63,-0.5 -0.427 61.1-116.7 94.1-168.0 54.2 37.1 41.6 9 9 A N E > -CD 13 69C 8 4,-1.3 4,-2.3 60,-0.3 60,-0.2 -0.916 37.5 -72.1-157.6-175.5 57.9 36.9 41.1 10 10 A Q T 4 S+ 0 0 127 58,-2.0 4,-0.1 -2,-0.3 59,-0.1 0.600 123.7 44.2 -65.0 -17.4 61.3 38.5 41.9 11 11 A K T 4 S+ 0 0 42 178,-0.3 -1,-0.2 2,-0.2 179,-0.1 0.844 123.8 29.5 -95.3 -47.7 60.8 41.5 39.6 12 12 A I T 4 S- 0 0 57 177,-0.3 -2,-0.2 1,-0.2 2,-0.1 0.671 112.0-116.5 -88.3 -13.6 57.2 42.5 40.4 13 13 A G E < -C 9 0C 31 -4,-2.3 -4,-1.3 2,-0.0 2,-0.3 -0.254 29.6 -69.5 102.7 169.1 57.1 41.3 44.0 14 14 A K E +C 8 0C 115 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.744 49.1 169.7 -97.6 142.5 55.2 38.7 45.9 15 15 A Y E -C 7 0C 22 -8,-1.8 -8,-2.2 -2,-0.3 2,-0.4 -0.926 25.4-124.2-144.3 168.5 51.5 39.1 46.7 16 16 A T E >>> -C 6 0C 56 -2,-0.3 4,-2.2 -10,-0.2 5,-1.5 -0.974 10.5-134.3-127.9 128.9 48.8 36.8 48.1 17 17 A Y E 345S+Ce 5 21C 2 -12,-3.2 -12,-1.2 -2,-0.4 5,-0.2 -0.564 100.0 34.6 -75.9 136.7 45.5 35.7 46.7 18 18 A G T 345S+ 0 0 53 3,-2.2 -1,-0.3 4,-0.7 4,-0.2 0.479 129.8 38.0 94.2 4.8 42.9 35.9 49.4 19 19 A S T <45S+ 0 0 96 -3,-1.4 -2,-0.2 2,-1.0 -1,-0.1 0.358 124.9 22.8-144.4 -71.7 44.7 39.0 50.8 20 20 A D T <5S+ 0 0 101 -4,-2.2 2,-0.3 2,-0.1 -3,-0.2 0.822 138.5 14.9 -71.9 -34.9 46.2 41.5 48.4 21 21 A Y B - 0 0 47 4,-2.2 3,-2.1 -2,-0.3 -1,-0.1 -0.176 47.2 -77.3 -89.1-169.8 35.7 23.3 43.0 28 28 A D T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.794 131.1 49.1 -59.0 -31.5 34.4 20.9 45.7 29 29 A R T 3 S- 0 0 41 2,-0.1 -1,-0.3 -28,-0.0 27,-0.1 0.374 119.1-108.0 -92.8 10.5 37.5 18.7 45.5 30 30 A a S < S+ 0 0 10 -3,-2.1 26,-1.8 1,-0.3 2,-0.3 0.893 72.6 145.6 63.6 42.1 39.9 21.7 45.7 31 31 A E B -G 55 0D 48 24,-0.2 -4,-2.2 2,-0.2 2,-1.9 -0.824 62.5-106.7-105.8 148.1 40.8 21.3 42.1 32 32 A M S S+ 0 0 0 22,-2.5 7,-1.9 -2,-0.3 2,-0.3 -0.556 77.8 117.4 -82.0 85.5 41.5 24.4 39.9 33 33 A D B +H 38 0E 41 -2,-1.9 5,-0.2 5,-0.2 -2,-0.2 -0.943 31.0 173.4-149.7 113.7 38.3 24.4 37.9 34 34 A D - 0 0 45 3,-1.9 4,-0.1 -2,-0.3 -8,-0.1 0.271 65.2 -92.2-107.2 7.2 36.1 27.4 38.3 35 35 A G S S+ 0 0 35 2,-0.4 3,-0.1 1,-0.0 64,-0.0 -0.127 122.5 38.5 109.6 -36.6 33.7 26.4 35.5 36 36 A N S S+ 0 0 76 1,-0.2 64,-3.2 63,-0.1 2,-0.4 0.685 113.5 51.0-110.1 -36.8 35.5 28.2 32.7 37 37 A V E - i 0 100E 0 62,-0.2 -3,-1.9 64,-0.0 2,-0.4 -0.962 53.8-174.7-115.5 136.4 39.1 27.7 33.5 38 38 A I E -Hi 33 101E 9 62,-2.4 64,-2.4 -2,-0.4 2,-0.5 -0.993 14.0-155.5-127.3 119.2 41.0 24.5 34.3 39 39 A T E - i 0 102E 0 -7,-1.9 15,-2.9 -2,-0.4 2,-0.4 -0.918 11.0-160.8-106.2 130.5 44.7 24.9 35.4 40 40 A V E - i 0 103E 0 62,-2.8 64,-2.6 -2,-0.5 2,-0.9 -0.926 17.9-140.7-114.5 131.5 47.0 22.0 34.8 41 41 A D E - i 0 104E 18 11,-0.4 64,-0.2 -2,-0.4 11,-0.1 -0.794 16.4-174.5 -88.8 107.0 50.3 21.1 36.3 42 42 A M > - 0 0 4 62,-3.2 3,-2.0 -2,-0.9 5,-0.2 0.644 23.8-145.5 -76.7 -14.6 52.3 19.7 33.3 43 43 A N T 3 - 0 0 96 61,-0.4 63,-0.1 1,-0.3 62,-0.1 0.843 65.1 -57.7 48.9 43.1 55.2 18.8 35.7 44 44 A S T 3 S+ 0 0 52 61,-2.6 -1,-0.3 1,-0.2 62,-0.2 0.544 100.7 141.8 66.5 14.5 57.8 19.6 33.0 45 45 A S < - 0 0 52 -3,-2.0 62,-2.3 60,-0.3 -1,-0.2 -0.425 50.8-146.4 -82.0 158.5 56.4 17.1 30.6 46 46 A T + 0 0 103 60,-0.2 2,-1.5 -2,-0.1 -1,-0.1 0.300 69.9 108.6-102.4 1.7 56.2 17.8 26.8 47 47 A D > - 0 0 85 -5,-0.2 3,-1.5 1,-0.2 -2,-0.1 -0.639 47.3-175.6 -85.2 91.1 53.0 15.8 26.5 48 48 A D T 3 + 0 0 85 -2,-1.5 -1,-0.2 1,-0.3 58,-0.0 0.637 65.6 85.9 -65.0 -5.8 50.5 18.6 25.9 49 49 A S T 3 + 0 0 80 -3,-0.1 -1,-0.3 2,-0.0 2,-0.0 0.666 59.8 115.2 -73.1 -11.8 47.5 16.1 26.0 50 50 A K < + 0 0 75 -3,-1.5 -10,-0.1 1,-0.1 -8,-0.0 -0.328 28.5 163.2 -62.6 133.0 47.2 16.3 29.8 51 51 A T + 0 0 71 2,-0.1 -1,-0.1 -12,-0.0 -2,-0.0 0.219 26.4 130.7-129.4 6.4 43.9 17.9 31.0 52 52 A T - 0 0 85 -11,-0.1 -11,-0.4 1,-0.1 3,-0.1 -0.496 61.6-118.6 -66.6 121.1 43.8 16.8 34.7 53 53 A P - 0 0 30 0, 0.0 -13,-0.2 0, 0.0 2,-0.2 -0.279 29.9-107.7 -59.1 141.6 43.0 19.8 37.0 54 54 A F - 0 0 23 -15,-2.9 -22,-2.5 -22,-0.3 2,-0.4 -0.551 40.3-161.1 -69.9 139.9 45.7 20.6 39.5 55 55 A R B +G 31 0D 166 -24,-0.2 2,-0.3 -2,-0.2 -24,-0.2 -0.947 15.0 168.5-129.3 142.1 44.6 19.7 43.0 56 56 A F - 0 0 23 -26,-1.8 2,-1.0 -2,-0.4 5,-0.1 -0.835 46.9 -84.1-138.5 178.1 45.9 20.8 46.4 57 57 A A S > S- 0 0 88 3,-0.3 3,-0.7 -2,-0.3 -27,-0.1 -0.794 71.6 -96.2 -92.4 100.8 44.9 20.6 50.1 58 58 A a T 3 S+ 0 0 60 -2,-1.0 -55,-0.1 1,-0.3 -3,-0.0 -0.208 92.5 26.9 -53.9 150.0 42.6 23.5 50.5 59 59 A P T 3 S+ 0 0 81 0, 0.0 -55,-2.6 0, 0.0 2,-0.4 -0.997 115.2 41.6-100.1 -3.2 42.5 26.4 51.4 60 60 A T B < -b 4 0B 82 -3,-0.7 2,-0.5 -57,-0.2 -3,-0.3 -0.865 52.6-170.0-112.5 135.8 46.2 27.3 50.6 61 61 A N + 0 0 7 -57,-2.5 13,-0.0 -2,-0.4 -3,-0.0 -0.973 17.1 160.9-120.4 121.8 48.4 26.4 47.7 62 62 A T + 0 0 101 -2,-0.5 2,-0.6 -57,-0.2 3,-0.2 0.223 26.9 151.2-117.7 5.5 52.1 27.2 47.9 63 63 A Y + 0 0 94 1,-0.2 11,-0.3 8,-0.1 10,-0.2 -0.739 49.9 8.7 -83.3 118.9 53.1 24.8 45.1 64 64 A K - 0 0 42 -2,-0.6 2,-0.4 6,-0.1 9,-0.2 0.698 35.8-171.9-152.6 157.5 55.7 25.9 43.7 65 65 A Q + 0 0 129 -3,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.640 36.2 159.9 -82.2 124.6 58.6 28.3 43.6 66 66 A V B > -F 69 0C 34 3,-1.9 3,-2.3 -2,-0.4 5,-0.1 -0.965 58.9 -12.4-155.7 133.2 60.5 27.9 40.3 67 67 A N T 3 S- 0 0 50 -2,-0.3 3,-0.1 1,-0.3 59,-0.1 0.857 128.2 -47.0 46.2 47.2 62.8 30.2 38.5 68 68 A G T 3 S+ 0 0 15 1,-0.2 -58,-2.0 62,-0.1 2,-0.3 0.446 113.1 111.2 82.2 -3.5 62.0 33.3 40.5 69 69 A A B < -DF 9 66C 5 -3,-2.3 -3,-1.9 -60,-0.2 -60,-0.3 -0.824 59.1-146.6-103.3 146.2 58.2 33.0 40.5 70 70 A Y S S- 0 0 36 -62,-2.2 -6,-0.1 -2,-0.3 -61,-0.1 0.823 83.0 -12.5 -81.7 -35.6 56.3 32.1 43.7 71 71 A S > - 0 0 0 -63,-0.5 4,-2.2 -5,-0.1 5,-0.3 -0.400 54.5-178.7-167.8 89.1 53.5 30.1 42.2 72 72 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.855 88.5 59.1 -59.9 -30.2 52.9 30.1 38.4 73 73 A L H > S+ 0 0 0 -10,-0.2 4,-2.4 -9,-0.2 5,-0.2 0.955 106.6 46.6 -66.2 -47.8 49.8 27.7 39.0 74 74 A N H > S+ 0 0 0 -11,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.948 115.2 45.4 -58.0 -46.9 48.1 30.3 41.3 75 75 A D H X S+ 0 0 8 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.942 112.3 52.1 -63.9 -43.0 48.8 33.2 38.9 76 76 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.948 111.0 45.4 -60.9 -42.8 47.6 31.2 35.9 77 77 A H H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.966 116.5 45.6 -67.6 -44.8 44.3 30.1 37.4 78 78 A F H X S+ 0 0 22 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.937 112.8 50.5 -64.8 -42.7 43.5 33.6 38.7 79 79 A F H X S+ 0 0 2 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.901 107.0 53.8 -62.7 -40.3 44.5 35.3 35.4 80 80 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.946 109.4 50.2 -60.0 -40.8 42.4 32.9 33.4 81 81 A G H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.883 106.8 54.5 -61.4 -44.7 39.5 34.0 35.6 82 82 A V H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.928 103.5 54.7 -58.1 -45.0 40.2 37.7 35.1 83 83 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.920 111.6 44.9 -58.1 -40.6 40.0 37.4 31.3 84 84 A F H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.920 114.4 49.8 -68.5 -39.0 36.6 35.8 31.5 85 85 A K H X S+ 0 0 79 -4,-2.4 4,-3.1 2,-0.2 5,-0.5 0.928 106.1 56.0 -64.9 -45.0 35.5 38.5 34.1 86 86 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.4 0.946 114.4 37.6 -52.4 -54.9 36.8 41.4 32.0 87 87 A Y H X S+ 0 0 0 -4,-1.7 6,-1.9 -5,-0.2 4,-1.4 0.871 118.9 49.5 -69.2 -34.6 34.6 40.4 28.9 88 88 A R H X S+ 0 0 144 -4,-2.3 4,-1.7 4,-0.2 -2,-0.2 0.974 117.5 37.5 -69.4 -54.7 31.6 39.3 31.0 89 89 A D H < S+ 0 0 102 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.934 126.3 33.4 -63.6 -51.2 31.5 42.5 33.2 90 90 A W H < S+ 0 0 33 -4,-2.1 -3,-0.2 -5,-0.5 -1,-0.2 0.791 136.8 17.3 -82.4 -22.7 32.3 45.1 30.7 91 91 A F H < S- 0 0 18 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.2 0.435 88.5-124.2-127.3 -0.8 30.8 43.7 27.6 92 92 A G S < S+ 0 0 46 -4,-1.7 -4,-0.2 -5,-0.3 2,-0.2 0.799 79.2 95.0 61.5 33.7 28.3 40.9 28.5 93 93 A T - 0 0 31 -6,-1.9 -1,-0.2 -9,-0.1 -2,-0.2 -0.748 69.6-113.9-140.9-176.5 30.2 38.4 26.4 94 94 A S - 0 0 36 -2,-0.2 -10,-0.1 -3,-0.1 3,-0.1 -0.937 10.3-140.0-121.4 151.6 32.8 35.7 26.5 95 95 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.731 89.7 29.7 -71.8 -32.9 36.3 35.5 24.9 96 96 A L - 0 0 15 2,-0.1 4,-0.1 50,-0.1 22,-0.0 -0.952 63.5-140.5-131.4 160.8 35.9 31.8 24.0 97 97 A T S S+ 0 0 111 -2,-0.3 2,-0.3 2,-0.1 -1,-0.0 0.354 90.4 36.6 -93.5 -5.9 33.1 29.5 23.2 98 98 A H S S- 0 0 77 1,-0.1 -2,-0.1 -62,-0.0 -62,-0.0 -0.858 100.3 -67.6-138.2 177.9 34.7 26.7 25.3 99 99 A K - 0 0 98 -2,-0.3 2,-0.4 1,-0.1 -62,-0.2 -0.237 47.6-125.1 -70.3 154.3 36.6 26.2 28.5 100 100 A L E -i 37 0E 0 -64,-3.2 -62,-2.4 -4,-0.1 2,-0.5 -0.880 14.9-154.1-104.0 133.9 40.1 27.5 28.8 101 101 A Y E -ij 38 119E 52 17,-2.5 19,-2.4 -2,-0.4 2,-0.7 -0.940 3.9-166.2-110.8 126.0 43.0 25.3 29.8 102 102 A M E -ij 39 120E 0 -64,-2.4 -62,-2.8 -2,-0.5 2,-0.8 -0.959 10.8-166.5-110.0 105.3 46.1 27.0 31.4 103 103 A K E -ij 40 121E 16 17,-3.2 19,-3.0 -2,-0.7 3,-0.3 -0.877 10.9-167.4-103.3 104.1 48.9 24.3 31.3 104 104 A V E +ij 41 122E 0 -64,-2.6 -62,-3.2 -2,-0.8 -61,-0.4 -0.595 58.5 25.3 -91.3 154.6 51.7 25.4 33.6 105 105 A H S S+ 0 0 0 17,-0.5 -61,-2.6 -2,-0.2 2,-0.4 0.928 76.8 179.4 59.9 43.1 55.3 24.1 33.9 106 106 A Y - 0 0 34 16,-2.6 4,-0.5 -3,-0.3 18,-0.5 -0.688 45.8 -24.5 -77.6 130.9 55.3 22.9 30.4 107 107 A G S S- 0 0 0 -62,-2.3 2,-0.6 -2,-0.4 -62,-0.1 -0.013 95.4 -51.5 64.6-167.9 58.7 21.3 29.4 108 108 A R S S- 0 0 80 1,-0.2 -1,-0.1 15,-0.1 15,-0.0 -0.941 110.2 -29.3-114.9 111.6 62.1 21.8 30.8 109 109 A S S S+ 0 0 83 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.840 82.3 179.6 50.9 44.1 63.3 25.4 31.0 110 110 A V - 0 0 29 -4,-0.5 15,-2.5 1,-0.1 2,-0.8 -0.611 21.9-155.0 -77.1 125.6 61.1 26.4 28.0 111 111 A E + 0 0 58 -2,-0.4 2,-0.3 13,-0.2 -1,-0.1 -0.374 64.8 68.3 -94.7 58.2 61.5 30.1 27.3 112 112 A N - 0 0 76 -2,-0.8 11,-2.2 17,-0.0 2,-0.4 -0.990 63.0-139.1-165.7 167.2 58.1 30.5 25.6 113 113 A A E -K 122 0E 16 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 22.8-158.0-135.2 133.9 54.2 30.4 26.0 114 114 A Y E -K 121 0E 96 7,-2.5 7,-2.5 -2,-0.4 2,-0.4 -0.909 7.5-165.4-118.2 146.0 52.0 28.8 23.3 115 115 A W E +K 120 0E 49 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.994 10.7 173.5-126.5 131.6 48.3 29.3 22.5 116 116 A D - 0 0 116 3,-1.9 4,-0.1 -2,-0.4 -1,-0.1 0.356 64.5 -88.6-120.4 4.1 46.4 26.9 20.3 117 117 A G S S+ 0 0 26 2,-0.4 3,-0.1 -21,-0.0 -2,-0.0 0.146 122.4 34.6 110.0 -14.7 42.9 28.2 20.6 118 118 A T S S+ 0 0 57 1,-0.4 -17,-2.5 -18,-0.1 2,-0.4 0.579 114.8 40.7-135.0 -42.9 42.0 26.1 23.7 119 119 A A E -j 101 0E 2 -19,-0.2 -3,-1.9 -17,-0.1 2,-0.5 -0.897 57.4-148.8-125.0 145.5 45.1 25.9 25.9 120 120 A M E -jK 102 115E 0 -19,-2.4 -17,-3.2 -2,-0.4 2,-0.5 -0.950 18.7-157.8-104.1 122.8 47.8 28.2 26.9 121 121 A L E -jK 103 114E 17 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.5 -0.965 9.9-161.9-108.8 120.8 51.1 26.2 27.5 122 122 A F E -jK 104 113E 1 -19,-3.0 -16,-2.6 -2,-0.5 -17,-0.5 -0.922 5.9-150.5-112.3 125.2 53.5 28.1 29.7 123 123 A G - 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0 0 16 -3,-0.3 -4,-0.2 1,-0.1 2,-0.2 -0.005 60.2-134.5 -90.3-162.4 62.6 45.9 29.8 196 196 A A - 0 0 1 1,-0.1 -9,-0.2 -6,-0.1 3,-0.1 -0.759 29.6-108.2-142.3 173.7 59.5 44.6 28.4 197 197 A L S S+ 0 0 59 -11,-2.5 2,-0.3 1,-0.3 -10,-0.2 0.920 100.2 5.0 -77.0 -49.0 58.5 42.6 25.2 198 198 A R E -M 186 0G 34 -12,-1.5 -12,-2.4 -3,-0.1 2,-0.4 -0.963 63.5-144.7-137.5 155.9 56.7 45.6 23.6 199 199 A Y E -M 185 0G 36 4,-0.3 -14,-0.2 -2,-0.3 6,-0.1 -0.970 4.3-167.7-119.8 126.8 56.2 49.3 24.4 200 200 A M S S+ 0 0 0 -16,-2.2 34,-0.3 -2,-0.4 -15,-0.1 0.804 85.1 58.4 -86.4 -25.5 52.9 51.1 23.6 201 201 A D S S+ 0 0 51 -17,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.891 130.4 6.1 -69.7 -40.6 54.1 54.6 24.2 202 202 A Q S > S- 0 0 87 1,-0.1 3,-2.2 28,-0.0 -1,-0.3 -0.716 70.3-170.6-145.4 89.1 56.9 54.4 21.6 203 203 A P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 6,-0.5 0.880 82.1 65.9 -52.9 -39.7 56.7 51.1 19.7 204 204 A S G > S+ 0 0 39 1,-0.3 3,-1.9 4,-0.2 6,-0.1 0.539 74.8 89.5 -63.1 -8.6 60.1 51.6 18.0 205 205 A R G < S+ 0 0 108 -3,-2.2 -1,-0.3 1,-0.3 -7,-0.0 0.749 81.5 60.0 -61.2 -18.2 61.8 51.4 21.5 206 206 A D G < S- 0 0 37 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.400 117.2-115.5 -88.9 2.1 62.1 47.6 20.8 207 207 A G S < S+ 0 0 67 -3,-1.9 -3,-0.1 2,-0.1 -2,-0.1 0.362 100.1 46.4 85.7 -9.9 64.1 48.3 17.7 208 208 A R S S+ 0 0 175 -5,-0.3 -4,-0.2 2,-0.0 -1,-0.1 0.518 80.2 95.3-133.3 -31.4 61.7 46.9 15.2 209 209 A S - 0 0 7 -6,-0.5 2,-0.3 -7,-0.1 16,-0.2 -0.450 67.7-123.9 -67.6 151.2 58.1 48.1 15.8 210 210 A I - 0 0 12 14,-2.0 3,-0.1 -7,-0.1 -1,-0.1 -0.729 13.5-161.3-100.3 149.1 56.8 51.1 13.9 211 211 A D S S+ 0 0 25 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.485 75.2 36.2-101.5 -12.6 55.3 54.3 15.4 212 212 A N S > S- 0 0 39 1,-0.1 3,-2.0 82,-0.1 82,-0.2 -0.998 75.2-122.4-145.9 147.1 53.5 55.6 12.4 213 213 A A G > S+ 0 0 20 80,-3.0 3,-1.7 -2,-0.3 81,-0.2 0.775 107.6 68.9 -60.8 -24.5 51.5 54.2 9.4 214 214 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 79,-0.2 80,-0.1 0.727 93.4 58.7 -71.6 -12.0 53.9 55.9 7.0 215 215 A Q G < S+ 0 0 93 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.412 78.5 122.8 -93.5 0.6 56.7 53.5 8.1 216 216 A Y < - 0 0 43 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.386 36.8-178.3 -62.5 140.1 54.7 50.4 7.1 217 217 A Y > - 0 0 131 -2,-0.1 3,-1.8 1,-0.0 -2,-0.0 -0.983 34.2-120.8-136.7 141.7 56.4 48.0 4.5 218 218 A N T 3 S+ 0 0 141 -2,-0.3 -61,-0.2 1,-0.3 -2,-0.0 0.704 107.7 58.9 -60.6 -21.4 54.6 44.9 3.3 219 219 A G T 3 S+ 0 0 72 2,-0.0 -1,-0.3 -62,-0.0 -3,-0.0 0.357 80.3 123.3 -88.3 6.7 57.3 42.4 4.5 220 220 A I < - 0 0 18 -3,-1.8 -63,-0.3 1,-0.1 2,-0.3 -0.275 66.1-115.6 -67.3 148.6 56.9 43.5 8.2 221 221 A D >> - 0 0 84 1,-0.1 3,-2.1 -65,-0.1 4,-1.8 -0.650 21.5-121.1 -81.0 149.7 56.0 41.0 10.8 222 222 A V H 3> S+ 0 0 12 1,-0.3 4,-0.8 -2,-0.3 -57,-0.1 0.792 111.2 63.9 -61.6 -25.4 52.5 41.5 12.6 223 223 A H H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 -14,-0.1 0.546 112.3 36.6 -76.8 -5.6 54.2 41.8 16.0 224 224 A H H X4 S+ 0 0 39 -3,-2.1 -14,-2.0 -15,-0.1 3,-1.0 0.651 110.5 56.5-115.2 -27.8 55.9 45.0 14.7 225 225 A S H >< S+ 0 0 1 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.569 91.3 76.1 -79.7 -10.2 53.1 46.5 12.5 226 226 A S T 3X S+ 0 0 1 -4,-0.8 4,-2.7 -5,-0.3 3,-0.3 0.721 72.5 86.1 -71.5 -13.8 50.9 46.4 15.6 227 227 A G H <> S+ 0 0 1 -3,-1.0 4,-2.7 1,-0.2 5,-0.3 0.873 80.9 59.5 -54.3 -38.4 52.9 49.5 16.8 228 228 A V H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.931 113.7 33.1 -59.3 -52.3 50.6 51.9 14.9 229 229 A Y H > S+ 0 0 0 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.837 115.5 58.8 -76.6 -30.5 47.3 50.9 16.7 230 230 A N H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.943 109.2 44.3 -65.3 -39.3 49.1 50.2 20.0 231 231 A R H X S+ 0 0 58 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.908 111.1 53.6 -72.5 -35.9 50.4 53.8 20.1 232 232 A A H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.944 109.9 49.0 -62.3 -42.5 46.9 55.2 19.0 233 233 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.902 110.9 50.2 -60.0 -45.0 45.5 53.2 22.0 234 234 A Y H X S+ 0 0 67 -4,-2.0 4,-1.5 -34,-0.3 -1,-0.2 0.943 111.5 47.4 -59.2 -50.3 48.1 54.7 24.3 235 235 A L H < S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.6 45.6 -60.7 -37.4 47.4 58.3 23.2 236 236 A L H >< S+ 0 0 2 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.930 109.6 52.4 -73.1 -46.1 43.6 57.8 23.5 237 237 A A H 3< S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.9 47.2 -62.2 -25.5 43.8 56.1 27.0 238 238 A N T 3< S+ 0 0 90 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.159 86.9 113.5 -99.2 11.3 45.9 59.1 28.2 239 239 A S S X S- 0 0 13 -3,-1.8 3,-2.4 1,-0.1 -3,-0.0 -0.664 84.9 -84.9 -81.1 147.1 43.6 61.7 26.8 240 240 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.208 117.4 15.9 -51.7 126.5 41.7 64.0 29.3 241 241 A G T 3 S+ 0 0 89 1,-0.3 2,-0.2 -4,-0.1 -3,-0.1 0.465 110.9 95.2 89.5 -3.6 38.6 62.3 30.4 242 242 A W < + 0 0 28 -3,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.705 45.1 177.0-116.3 168.3 39.6 58.8 29.1 243 243 A D > - 0 0 67 -2,-0.2 4,-2.4 -3,-0.1 5,-0.3 -0.926 52.0 -78.1-155.6 178.1 41.2 55.9 30.8 244 244 A T H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.875 126.2 51.2 -57.3 -36.8 42.2 52.3 29.8 245 245 A R H > S+ 0 0 97 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.972 111.0 44.8 -67.7 -49.8 38.6 51.0 30.0 246 246 A K H > S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 115.0 49.4 -61.6 -38.8 37.0 53.7 27.9 247 247 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.944 112.6 47.2 -67.8 -40.4 39.8 53.4 25.3 248 248 A F H >X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 3,-0.6 0.938 105.4 62.0 -68.1 -37.6 39.4 49.5 25.2 249 249 A E H 3X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.884 102.4 48.1 -56.9 -39.9 35.6 49.8 24.9 250 250 A V H 3X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.836 113.3 47.9 -73.0 -27.4 35.7 51.7 21.6 251 251 A F H S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 5,-0.6 0.888 111.5 50.5 -61.3 -38.2 32.9 47.7 19.8 254 254 A A H X>S+ 0 0 0 -4,-1.5 5,-2.8 -5,-0.2 4,-1.7 0.929 111.4 48.5 -65.2 -42.5 34.7 48.2 16.5 255 255 A N H <5S+ 0 0 1 -4,-2.5 -104,-0.9 3,-0.2 -2,-0.2 0.906 117.8 42.0 -62.3 -44.2 36.0 44.6 16.6 256 256 A R H <5S+ 0 0 63 -4,-2.7 -2,-0.2 -106,-0.2 -1,-0.2 0.878 132.4 13.8 -69.6 -43.7 32.4 43.3 17.3 257 257 A Y H <5S+ 0 0 135 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.697 128.6 27.0-110.5 -26.2 30.4 45.5 15.0 258 258 A Y T < - 0 0 79 -108,-0.1 3,-1.8 1,-0.0 -109,-0.1 -0.684 36.9 -99.1-107.4 172.8 35.7 43.1 8.6 261 261 A A T 3 S+ 0 0 34 1,-0.3 -107,-2.3 -2,-0.2 -109,-0.1 0.777 124.4 47.3 -65.2 -23.7 38.4 40.4 8.3 262 262 A T T 3 S+ 0 0 108 -109,-0.2 -1,-0.3 -111,-0.1 -103,-0.1 0.101 78.5 139.1-105.7 21.7 40.2 42.5 5.7 263 263 A S < - 0 0 9 -3,-1.8 2,-0.3 -112,-0.1 -101,-0.1 -0.247 35.8-157.1 -62.4 149.3 40.1 46.0 7.5 264 264 A N > - 0 0 66 -106,-0.1 4,-2.7 -105,-0.1 5,-0.3 -0.747 38.1 -83.1-117.1 179.6 43.3 48.0 7.1 265 265 A Y H > S+ 0 0 2 -2,-0.3 4,-1.5 1,-0.2 30,-0.1 0.901 125.8 42.5 -52.7 -46.2 44.6 50.8 9.4 266 266 A N H > S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.940 117.7 41.2 -71.4 -45.7 42.5 53.5 7.8 267 267 A S H > S+ 0 0 50 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.899 112.7 58.1 -71.0 -28.9 39.1 51.8 7.3 268 268 A G H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.4 0.888 98.8 60.1 -63.6 -36.8 39.6 50.2 10.8 269 269 A A H X S+ 0 0 1 -4,-1.5 4,-2.1 -5,-0.3 3,-0.3 0.885 95.3 61.9 -60.1 -36.9 39.8 53.8 12.3 270 270 A b H X S+ 0 0 40 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.896 102.1 51.5 -57.2 -41.6 36.3 54.6 11.0 271 271 A G H X S+ 0 0 5 -4,-1.0 4,-2.6 -3,-0.4 -1,-0.2 0.899 108.8 49.3 -65.3 -36.8 34.8 51.9 13.2 272 272 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.912 111.7 48.9 -70.2 -39.9 36.6 53.1 16.4 273 273 A I H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.957 112.6 48.5 -63.4 -45.8 35.4 56.7 15.7 274 274 A R H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 110.0 51.4 -62.3 -43.5 31.8 55.5 15.2 275 275 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 108.0 53.0 -60.7 -39.2 31.9 53.4 18.4 276 276 A A H <>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 4,-0.4 0.952 109.7 48.9 -60.4 -44.6 33.1 56.5 20.3 277 277 A Q H ><5S+ 0 0 105 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.930 108.3 52.6 -63.7 -45.7 30.1 58.4 19.0 278 278 A N H 3<5S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 111.0 47.0 -61.2 -33.2 27.6 55.6 19.9 279 279 A R T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.478 117.0-116.1 -86.0 0.7 28.9 55.6 23.4 280 280 A N T < 5 + 0 0 152 -3,-1.7 2,-0.2 -4,-0.4 -3,-0.2 0.827 69.4 139.7 68.7 35.5 28.7 59.4 23.5 281 281 A Y < - 0 0 79 -5,-3.2 2,-0.7 -6,-0.2 -1,-0.3 -0.670 66.7 -79.3-102.7 163.6 32.5 59.7 23.9 282 282 A S > - 0 0 52 -2,-0.2 4,-1.0 1,-0.2 3,-0.3 -0.485 36.0-171.7 -70.5 113.5 34.6 62.3 22.2 283 283 A A H > S+ 0 0 20 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.806 84.9 66.2 -73.1 -25.0 35.2 61.3 18.6 284 284 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 98.0 51.8 -65.9 -36.5 37.6 64.2 18.3 285 285 A D H > S+ 0 0 22 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.881 110.9 48.5 -66.3 -36.1 39.9 62.6 20.8 286 286 A V H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.930 111.0 49.2 -67.9 -44.6 39.9 59.4 18.7 287 287 A T H X S+ 0 0 70 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.888 110.6 51.6 -61.1 -42.6 40.6 61.2 15.5 288 288 A R H X S+ 0 0 118 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.927 108.5 50.0 -60.5 -51.8 43.5 63.1 17.1 289 289 A A H X S+ 0 0 5 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.937 114.5 45.0 -57.9 -45.0 45.1 59.9 18.4 290 290 A F H ><>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 3,-0.7 0.936 110.7 52.0 -71.1 -40.3 44.9 58.2 15.0 291 291 A S H ><5S+ 0 0 67 -4,-2.9 3,-2.0 1,-0.2 -1,-0.2 0.900 103.3 59.9 -65.2 -31.3 46.1 61.3 13.0 292 292 A T H 3<5S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.7 43.0 -60.5 -32.8 49.2 61.5 15.3 293 293 A V T <<5S- 0 0 0 -4,-1.1 -80,-3.0 -3,-0.7 -1,-0.3 0.280 125.7-103.7 -96.4 14.9 50.1 57.9 14.1 294 294 A G T < 5S+ 0 0 35 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.712 77.4 132.8 73.3 26.6 49.3 58.8 10.5 295 295 A V < - 0 0 1 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.919 29.0-179.8-113.7 134.4 45.9 57.0 10.2 296 296 A T - 0 0 92 -2,-0.4 -26,-0.1 -5,-0.1 -27,-0.1 -0.999 30.8-126.5-135.0 129.0 42.8 58.7 8.7 297 297 A b 0 0 51 -2,-0.4 -30,-0.1 -28,-0.1 -31,-0.1 -0.646 360.0 360.0 -72.8 123.4 39.3 57.3 8.3 298 298 A P 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 0.480 360.0 360.0 -79.5 360.0 38.7 57.9 4.5