==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-04 1U4G . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR E.BITTO,D.B.MCKAY . 298 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 67.8 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 . 28 9.4 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 . 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.1 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 . 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 0 1 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 . 6 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 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 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,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.2 42.9 49.9 -6.5 2 2 A E E +A 25 0A 138 23,-0.2 2,-0.3 21,-0.0 23,-0.2 -0.865 360.0 168.7-107.1 136.1 43.4 47.2 -3.8 3 3 A A E -A 24 0A 7 21,-3.0 21,-2.9 -2,-0.4 2,-0.3 -0.789 10.6-161.5-132.4 175.1 41.3 47.0 -0.6 4 4 A G B +b 60 0B 10 55,-2.8 57,-2.5 -2,-0.3 14,-0.2 -0.879 19.0 136.7-149.7-178.6 40.9 44.4 2.1 5 5 A G E -C 17 0C 3 12,-1.4 12,-3.2 -2,-0.3 57,-0.2 -0.835 50.6 -50.0 152.8 171.4 38.7 43.3 5.0 6 6 A P E +C 16 0C 18 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.171 46.3 171.6 -70.6 162.9 37.1 40.2 6.7 7 7 A G E +C 15 0C 0 8,-1.9 8,-1.8 67,-0.1 2,-0.1 -0.926 32.0 55.3-156.7 174.3 35.1 37.4 5.0 8 8 A G E -C 14 0C 1 -2,-0.3 62,-2.4 6,-0.2 63,-0.6 -0.441 61.9-110.7 93.9-168.0 33.7 34.0 5.9 9 9 A N E > -CD 13 69C 6 4,-1.0 4,-2.3 60,-0.3 60,-0.3 -0.928 37.6 -78.7-157.0 178.5 31.3 32.9 8.6 10 10 A Q T 4 S+ 0 0 128 58,-2.1 4,-0.1 -2,-0.3 59,-0.1 0.789 122.7 50.0 -57.1 -32.6 31.0 30.9 11.8 11 11 A K T 4 S+ 0 0 46 178,-0.2 -1,-0.2 57,-0.2 179,-0.1 0.948 122.9 25.6 -75.0 -50.8 30.9 27.5 9.9 12 12 A I T 4 S- 0 0 63 177,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.578 114.2-115.0 -91.1 -10.7 33.9 27.9 7.6 13 13 A G E < -C 9 0C 28 -4,-2.3 -4,-1.0 2,-0.0 2,-0.3 -0.155 30.7 -68.2 99.3 164.9 35.8 30.3 9.7 14 14 A K E +C 8 0C 131 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.722 49.6 167.6 -96.4 142.6 37.0 33.9 9.4 15 15 A Y E -C 7 0C 25 -8,-1.8 -8,-1.9 -2,-0.3 2,-0.4 -0.911 26.5-123.5-144.1 170.3 39.6 35.1 7.0 16 16 A T E >>> -C 6 0C 53 -2,-0.3 4,-1.9 -10,-0.2 3,-1.6 -0.976 13.2-133.2-128.9 128.3 40.9 38.4 5.6 17 17 A Y E 345S+Ce 5 21C 4 -12,-3.2 -12,-1.4 -2,-0.4 5,-0.2 -0.615 100.3 33.8 -74.1 129.7 41.2 39.7 2.1 18 18 A G T 345S+ 0 0 55 3,-2.7 -1,-0.3 4,-0.4 4,-0.1 0.264 129.4 38.9 104.7 -7.1 44.6 41.1 1.6 19 19 A S T <45S+ 0 0 93 -3,-1.6 -2,-0.2 2,-0.4 -1,-0.1 0.503 126.4 20.2-131.7 -72.6 46.1 38.6 4.0 20 20 A D T <5S+ 0 0 98 -4,-1.9 2,-0.3 2,-0.1 -3,-0.2 0.783 136.3 17.6 -76.5 -29.3 44.7 35.0 3.8 21 21 A Y B - 0 0 37 4,-1.7 3,-2.1 -2,-0.2 -1,-0.1 -0.288 45.2 -82.5 -97.0-174.2 38.0 51.8 -8.1 28 28 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.564 129.7 55.4 -65.9 -9.0 39.5 55.2 -7.4 29 29 A R T 3 S- 0 0 129 2,-0.1 -1,-0.3 28,-0.0 27,-0.2 0.309 117.0-114.4-102.2 4.9 36.3 56.2 -5.5 30 30 A a < + 0 0 12 -3,-2.1 26,-2.2 1,-0.2 2,-0.3 0.909 69.1 145.5 57.5 46.0 36.8 53.1 -3.3 31 31 A E B -G 55 0D 18 24,-0.2 2,-2.2 2,-0.2 -4,-1.7 -0.829 64.9-106.4-108.3 149.7 33.6 51.6 -4.7 32 32 A M S S+ 0 0 0 22,-2.5 7,-2.1 -2,-0.3 2,-0.3 -0.531 80.9 117.0 -78.7 77.7 33.1 47.9 -5.2 33 33 A D B +H 38 0E 40 -2,-2.2 5,-0.2 5,-0.2 -2,-0.2 -0.881 33.1 173.7-145.3 105.4 33.4 48.2 -9.0 34 34 A D - 0 0 39 3,-1.9 4,-0.1 -2,-0.3 -8,-0.1 0.250 64.8 -94.5 -99.2 12.2 36.4 46.3 -10.5 35 35 A G S S+ 0 0 36 2,-0.4 3,-0.1 1,-0.1 -9,-0.0 0.071 121.8 39.9 99.4 -23.5 35.3 47.0 -14.0 36 36 A N S S+ 0 0 62 1,-0.3 64,-2.4 63,-0.1 2,-0.4 0.618 113.0 49.6-123.6 -33.7 33.4 43.7 -14.4 37 37 A V E - i 0 100E 0 62,-0.2 -3,-1.9 64,-0.1 2,-0.4 -0.928 56.4-171.2-118.1 136.2 31.7 43.3 -11.0 38 38 A I E -Hi 33 101E 5 62,-3.2 64,-3.0 -2,-0.4 2,-0.5 -0.995 10.4-157.7-124.9 122.8 29.6 45.8 -9.0 39 39 A T E - i 0 102E 0 -7,-2.1 15,-3.1 -2,-0.4 2,-0.4 -0.902 9.8-163.1-108.0 129.9 28.6 44.9 -5.5 40 40 A V E -Ji 53 103E 0 62,-3.1 64,-2.6 -2,-0.5 2,-0.8 -0.900 18.2-138.9-116.8 138.4 25.6 46.6 -3.9 41 41 A D E - i 0 104E 28 11,-0.5 64,-0.2 -2,-0.4 11,-0.1 -0.831 17.5-176.4 -93.9 106.1 24.5 46.9 -0.3 42 42 A M > - 0 0 5 62,-2.8 3,-2.0 -2,-0.8 5,-0.2 0.698 23.0-147.0 -76.4 -18.1 20.7 46.4 -0.4 43 43 A N T 3 S- 0 0 102 61,-0.4 63,-0.1 1,-0.3 62,-0.1 0.900 70.7 -52.9 50.0 46.5 20.4 47.2 3.4 44 44 A S T 3 S+ 0 0 54 61,-2.6 -1,-0.3 1,-0.2 62,-0.2 0.484 108.4 132.1 70.1 6.0 17.5 44.7 3.6 45 45 A S < - 0 0 48 -3,-2.0 62,-2.3 60,-0.3 -1,-0.2 -0.415 49.4-156.9 -83.1 162.6 15.6 46.4 0.8 46 46 A T + 0 0 84 60,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.107 39.1 149.3-122.1 15.5 14.0 44.5 -2.1 47 47 A D > - 0 0 79 -5,-0.2 3,-1.1 1,-0.2 -2,-0.1 -0.361 40.8-149.8 -57.6 116.3 14.0 47.6 -4.4 48 48 A D T 3 S+ 0 0 123 -2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.680 91.0 50.7 -62.1 -22.4 14.5 46.2 -7.9 49 49 A S T 3 S+ 0 0 86 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.495 72.8 123.8 -98.8 -4.2 16.3 49.3 -9.2 50 50 A K < + 0 0 64 -3,-1.1 -10,-0.1 1,-0.2 -8,-0.0 -0.420 18.9 146.8 -62.0 115.8 19.0 49.6 -6.5 51 51 A T + 0 0 69 -2,-0.4 -1,-0.2 2,-0.1 -9,-0.0 0.236 15.1 137.7-135.9 13.3 22.4 49.6 -8.3 52 52 A T - 0 0 82 -11,-0.1 -11,-0.5 1,-0.1 2,-0.1 -0.451 56.4-122.0 -66.3 124.0 24.6 51.9 -6.2 53 53 A P B -J 40 0E 30 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.472 33.8-103.5 -67.3 136.5 28.1 50.4 -5.9 54 54 A F - 0 0 26 -15,-3.1 -22,-2.5 -22,-0.3 2,-0.4 -0.410 43.4-162.2 -61.2 130.6 29.0 50.0 -2.2 55 55 A R B +G 31 0D 136 -24,-0.2 2,-0.3 -2,-0.1 -24,-0.2 -0.946 16.0 162.4-121.4 137.6 31.4 52.7 -1.3 56 56 A F - 0 0 26 -26,-2.2 2,-0.8 -2,-0.4 5,-0.1 -0.860 47.2 -84.8-142.8 175.6 33.7 52.9 1.8 57 57 A A S > S- 0 0 86 -2,-0.3 3,-0.7 3,-0.2 -27,-0.1 -0.792 71.7 -92.9 -87.9 109.8 36.8 54.6 3.1 58 58 A a T 3 S+ 0 0 61 -2,-0.8 -55,-0.1 1,-0.3 -1,-0.0 -0.149 91.5 25.9 -60.7 161.1 39.7 52.7 1.7 59 59 A P T 3 S+ 0 0 85 0, 0.0 -55,-2.8 0, 0.0 2,-0.4 -0.990 113.7 39.7 -96.0 4.3 41.6 50.6 2.2 60 60 A T B < -b 4 0B 80 -3,-0.7 2,-0.5 -57,-0.2 -55,-0.2 -0.915 50.0-171.5-122.0 137.1 39.5 48.4 4.6 61 61 A N + 0 0 7 -57,-2.5 13,-0.1 -2,-0.4 -3,-0.0 -0.982 14.3 164.3-121.0 128.7 35.9 47.5 4.7 62 62 A T + 0 0 98 -2,-0.5 2,-0.6 -57,-0.2 3,-0.2 0.275 26.6 155.3-120.4 5.8 34.4 45.7 7.7 63 63 A Y + 0 0 95 1,-0.2 11,-0.3 8,-0.1 10,-0.2 -0.711 50.6 6.8 -82.5 119.7 30.7 46.3 7.0 64 64 A K - 0 0 41 -2,-0.6 2,-0.4 7,-0.1 -1,-0.2 0.672 37.8-170.7-150.4 158.6 29.1 44.2 8.2 65 65 A Q + 0 0 136 -3,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.722 37.5 159.7 -84.9 130.7 28.8 41.2 10.5 66 66 A V B > -F 69 0C 31 3,-1.7 3,-2.5 -2,-0.4 5,-0.1 -0.965 55.4 -11.6-156.8 137.0 25.4 39.7 10.2 67 67 A N T 3 S- 0 0 49 -2,-0.3 3,-0.1 1,-0.3 59,-0.1 0.826 129.9 -43.9 41.3 48.1 23.8 36.3 11.0 68 68 A G T 3 S+ 0 0 9 1,-0.3 -58,-2.1 62,-0.1 2,-0.3 0.373 115.3 110.7 86.5 -5.9 27.1 34.5 11.6 69 69 A A B < -DF 9 66C 5 -3,-2.5 -3,-1.7 -60,-0.3 -1,-0.3 -0.738 58.3-147.5-102.0 153.0 28.9 36.0 8.6 70 70 A Y S S- 0 0 43 -62,-2.4 -61,-0.1 -2,-0.3 -6,-0.1 0.802 82.4 -14.1 -90.7 -31.7 31.8 38.6 8.8 71 71 A S > - 0 0 0 -63,-0.6 4,-2.1 -5,-0.1 3,-0.3 -0.372 52.1-176.8-172.3 86.1 31.2 40.6 5.6 72 72 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.848 88.8 59.2 -54.9 -34.5 28.8 39.4 2.9 73 73 A L H > S+ 0 0 0 -10,-0.2 4,-2.3 2,-0.2 5,-0.2 0.942 106.2 45.4 -61.5 -48.2 29.8 42.4 0.8 74 74 A N H > S+ 0 0 0 -11,-0.3 4,-2.3 -3,-0.3 5,-0.2 0.926 116.5 46.1 -61.3 -45.9 33.5 41.6 0.8 75 75 A D H X S+ 0 0 9 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.925 112.1 50.0 -63.2 -46.0 32.8 37.9 -0.1 76 76 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.4 47.3 -60.9 -43.3 30.2 38.7 -2.8 77 77 A H H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.947 115.9 43.6 -64.8 -47.7 32.6 41.2 -4.5 78 78 A F H X S+ 0 0 34 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.933 116.0 47.1 -63.2 -48.0 35.6 38.8 -4.4 79 79 A F H X S+ 0 0 8 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.842 107.0 56.9 -65.5 -33.0 33.6 35.8 -5.5 80 80 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.922 108.8 48.7 -62.2 -40.2 31.9 37.7 -8.3 81 81 A G H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.882 108.7 52.5 -65.1 -39.6 35.5 38.4 -9.5 82 82 A V H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.937 110.2 47.7 -62.2 -46.7 36.5 34.7 -9.2 83 83 A V H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.900 111.5 51.1 -61.8 -40.9 33.5 33.6 -11.3 84 84 A F H X S+ 0 0 29 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.934 111.6 47.0 -62.7 -44.8 34.3 36.3 -13.9 85 85 A K H X S+ 0 0 66 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.843 107.9 57.1 -66.3 -33.9 37.9 35.2 -14.1 86 86 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.967 110.2 42.4 -62.2 -52.2 36.9 31.5 -14.3 87 87 A Y H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 6,-1.3 0.863 117.3 49.4 -62.6 -34.7 34.7 32.1 -17.4 88 88 A R H X S+ 0 0 115 -4,-1.9 4,-1.7 4,-0.2 -2,-0.2 0.967 116.7 39.5 -66.5 -54.1 37.4 34.4 -18.9 89 89 A D H < S+ 0 0 78 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.883 126.0 33.2 -65.0 -44.0 40.3 32.0 -18.3 90 90 A W H < S+ 0 0 24 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.768 137.0 16.6 -86.9 -27.4 38.6 28.7 -19.2 91 91 A F H < S- 0 0 20 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.2 0.435 89.1-125.1-128.1 -1.0 36.2 29.9 -21.9 92 92 A G S < S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -4,-0.2 0.856 77.1 93.3 58.5 38.2 37.3 33.3 -23.1 93 93 A T S S- 0 0 49 -6,-1.3 -2,-0.2 -9,-0.1 -1,-0.2 -0.985 78.6-102.5-154.7 159.6 34.0 34.9 -22.5 94 94 A S - 0 0 39 -2,-0.3 -10,-0.1 1,-0.1 -9,-0.1 -0.546 29.7-127.1 -81.0 151.0 32.1 36.9 -19.8 95 95 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.810 93.3 33.4 -69.6 -24.0 29.5 34.9 -17.8 96 96 A L S S- 0 0 6 2,-0.3 -2,-0.1 50,-0.0 4,-0.1 -0.869 78.9-122.8-128.3 160.6 26.9 37.5 -18.6 97 97 A T S S+ 0 0 114 -2,-0.3 2,-0.3 48,-0.1 49,-0.0 0.236 100.3 25.4 -85.4 14.1 26.1 39.8 -21.6 98 98 A H S S- 0 0 67 -62,-0.1 -2,-0.3 20,-0.0 20,-0.0 -0.891 108.3 -51.4-157.6-177.9 26.4 42.7 -19.2 99 99 A K - 0 0 93 -2,-0.3 2,-0.6 1,-0.1 -62,-0.2 -0.254 54.1-112.4 -66.6 154.1 28.0 43.6 -15.9 100 100 A L E -i 37 0E 0 -64,-2.4 -62,-3.2 -4,-0.1 2,-0.6 -0.794 29.4-166.3 -89.9 117.8 27.7 41.4 -12.8 101 101 A Y E -i 38 0E 63 -2,-0.6 19,-2.7 17,-0.3 2,-0.8 -0.936 1.3-166.5-107.5 114.2 25.7 43.1 -10.1 102 102 A M E -ik 39 120E 0 -64,-3.0 -62,-3.1 -2,-0.6 2,-0.8 -0.893 6.2-169.1-101.7 105.9 26.0 41.3 -6.8 103 103 A K E -ik 40 121E 5 17,-3.2 19,-2.8 -2,-0.8 3,-0.3 -0.862 10.2-174.8-103.0 108.9 23.3 42.7 -4.5 104 104 A V E +ik 41 122E 0 -64,-2.6 -62,-2.8 -2,-0.8 -61,-0.4 -0.545 58.9 36.5-101.9 166.9 23.8 41.6 -0.9 105 105 A H S S+ 0 0 1 17,-0.8 -61,-2.6 1,-0.2 2,-0.4 0.883 80.8 179.0 59.7 38.7 21.7 42.0 2.3 106 106 A Y > - 0 0 46 16,-2.2 4,-0.5 -3,-0.3 18,-0.5 -0.599 42.6 -25.3 -76.8 124.7 18.7 41.5 0.0 107 107 A G T 4 S- 0 0 0 -62,-2.3 2,-0.7 -2,-0.4 17,-0.1 -0.046 97.7 -46.9 69.9-173.1 15.4 41.6 1.8 108 108 A R T 4 S- 0 0 82 1,-0.2 -1,-0.1 15,-0.1 15,-0.1 -0.872 110.8 -34.5-104.2 109.2 14.6 40.8 5.4 109 109 A S T 4 S- 0 0 83 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.887 83.3-174.4 47.2 47.7 16.1 37.6 6.7 110 110 A V < - 0 0 25 -4,-0.5 15,-2.2 -3,-0.1 2,-1.3 -0.625 22.0-149.9 -78.8 123.1 15.7 36.0 3.2 111 111 A E + 0 0 35 -2,-0.5 2,-0.3 14,-0.2 -1,-0.1 -0.377 69.1 54.1 -87.5 55.4 16.7 32.3 3.2 112 112 A N - 0 0 78 -2,-1.3 11,-2.4 17,-0.1 2,-0.3 -0.990 63.1-135.3-171.2 173.3 17.8 32.3 -0.5 113 113 A A E -L 122 0E 5 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.932 31.2-168.8-136.3 154.8 19.9 33.8 -3.3 114 114 A Y E -L 121 0E 90 7,-2.7 7,-2.8 -2,-0.3 2,-0.5 -0.968 34.4-140.4-149.8 163.3 18.6 34.5 -6.8 115 115 A W E -L 120 0E 23 -2,-0.3 5,-0.2 5,-0.2 27,-0.0 -0.999 25.1-173.0-117.2 115.4 19.2 35.4 -10.4 116 116 A D - 0 0 56 3,-2.3 4,-0.1 -2,-0.5 -1,-0.1 0.286 54.6 -92.2 -98.5 12.6 16.4 37.9 -11.1 117 117 A G S S+ 0 0 36 2,-0.4 3,-0.1 1,-0.0 -2,-0.0 0.284 122.0 38.4 97.1 -8.4 17.0 38.2 -14.8 118 118 A T S S+ 0 0 86 1,-0.5 -17,-0.3 -17,-0.1 2,-0.3 0.526 119.9 9.5-138.6 -37.7 19.3 41.2 -14.4 119 119 A A - 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0 0 57 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.910 51.8 -82.2-154.9 175.8 38.8 16.6 -12.9 244 244 A T H > S+ 0 0 5 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.842 125.8 53.5 -56.9 -35.4 36.2 19.2 -12.1 245 245 A R H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.965 109.8 45.1 -64.9 -53.4 37.6 21.6 -14.7 246 246 A K H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.899 114.0 50.6 -57.8 -42.2 37.4 19.1 -17.6 247 247 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.926 112.2 46.6 -62.9 -43.6 33.9 18.0 -16.5 248 248 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.2 3,-0.3 0.905 105.7 61.0 -66.6 -38.6 32.7 21.6 -16.4 249 249 A E H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.897 104.1 47.8 -55.1 -44.6 34.2 22.4 -19.8 250 250 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.829 113.7 47.0 -70.6 -28.1 32.1 19.8 -21.6 251 251 A F H X S+ 0 0 2 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.866 111.9 50.7 -78.5 -36.0 28.9 20.9 -19.9 252 252 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.942 110.3 50.0 -64.5 -45.1 29.7 24.6 -20.6 253 253 A D H X>S+ 0 0 9 -4,-2.4 4,-3.0 -5,-0.2 5,-0.5 0.913 111.0 49.2 -58.4 -43.8 30.3 23.8 -24.3 254 254 A A H X>S+ 0 0 0 -4,-1.6 5,-3.1 1,-0.2 4,-1.7 0.915 111.3 49.7 -62.1 -42.1 27.0 21.9 -24.4 255 255 A N H <5S+ 0 0 1 -4,-2.4 -104,-0.2 1,-0.2 -2,-0.2 0.914 118.3 39.5 -62.2 -43.2 25.3 24.9 -22.8 256 256 A R H <5S+ 0 0 66 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.847 132.5 16.8 -77.3 -36.0 26.9 27.3 -25.3 257 257 A Y H <5S+ 0 0 132 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.717 128.9 22.9-114.6 -25.3 26.7 25.3 -28.5 258 258 A Y T < - 0 0 76 4,-0.1 3,-1.4 -108,-0.1 -109,-0.1 -0.696 36.3 -94.3-118.2 173.2 18.2 24.2 -26.7 261 261 A A T 3 S+ 0 0 41 1,-0.3 -107,-2.2 -2,-0.2 -109,-0.1 0.751 125.4 35.4 -61.4 -23.8 15.6 25.8 -24.5 262 262 A T T 3 S+ 0 0 103 -109,-0.2 -1,-0.3 -111,-0.1 -103,-0.1 0.082 80.4 143.9-120.1 24.8 13.7 22.5 -24.2 263 263 A S < - 0 0 6 -3,-1.4 2,-0.2 -112,-0.1 -101,-0.2 -0.299 34.8-152.3 -59.9 146.8 16.4 19.9 -24.2 264 264 A N > - 0 0 69 -106,-0.1 4,-2.6 -105,-0.1 5,-0.2 -0.569 35.4 -83.7-111.9-179.1 15.7 16.9 -22.0 265 265 A Y H > S+ 0 0 1 -2,-0.2 4,-1.6 1,-0.2 30,-0.1 0.932 126.9 41.5 -49.1 -55.6 18.1 14.6 -20.2 266 266 A N H > S+ 0 0 53 2,-0.2 4,-1.0 1,-0.2 3,-0.2 0.924 117.2 44.4 -62.3 -50.4 18.7 12.3 -23.2 267 267 A S H > S+ 0 0 49 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.853 112.0 56.1 -66.2 -30.9 19.0 15.0 -25.9 268 268 A G H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.847 97.9 61.1 -68.3 -33.6 21.2 17.1 -23.6 269 269 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.840 93.6 65.6 -62.3 -33.2 23.7 14.2 -23.2 270 270 A C H X S+ 0 0 40 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.915 101.9 47.5 -54.6 -47.2 24.4 14.3 -26.9 271 271 A G H X S+ 0 0 3 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.814 111.2 50.0 -66.4 -32.8 25.9 17.7 -26.7 272 272 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.918 112.6 46.3 -72.9 -43.1 28.1 16.9 -23.7 273 273 A I H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.922 113.6 50.1 -64.0 -42.3 29.5 13.8 -25.3 274 274 A R H X S+ 0 0 117 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.896 108.1 53.1 -63.1 -39.7 30.0 15.7 -28.5 275 275 A S H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.879 105.7 53.4 -64.4 -37.3 31.8 18.5 -26.6 276 276 A A H <>S+ 0 0 0 -4,-1.9 5,-3.2 1,-0.2 4,-0.3 0.934 109.2 49.5 -61.7 -43.7 34.1 15.9 -25.1 277 277 A Q H ><5S+ 0 0 99 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.902 106.8 55.6 -60.9 -40.9 35.0 14.7 -28.6 278 278 A N H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.9 42.8 -59.3 -36.9 35.6 18.3 -29.7 279 279 A R T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.356 116.4-114.0 -92.0 4.9 38.2 18.7 -26.9 280 280 A N T < 5S+ 0 0 145 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.2 0.840 70.5 140.6 65.0 34.3 39.7 15.2 -27.5 281 281 A Y < - 0 0 59 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.548 65.7 -72.0 -98.7 170.5 38.5 14.0 -24.2 282 282 A S > - 0 0 43 -2,-0.2 4,-1.4 1,-0.2 5,-0.1 -0.506 37.5-172.4 -70.8 111.1 37.1 10.5 -23.5 283 283 A A H > S+ 0 0 26 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.838 86.7 60.5 -68.3 -32.0 33.6 10.2 -25.0 284 284 A A H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 101.4 51.1 -61.7 -45.3 33.3 6.8 -23.3 285 285 A D H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 112.6 46.1 -60.9 -40.5 33.7 8.3 -19.8 286 286 A V H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.940 112.8 50.2 -67.1 -45.5 31.0 10.8 -20.5 287 287 A T H X S+ 0 0 65 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.907 111.7 48.5 -58.3 -43.2 28.7 8.1 -22.0 288 288 A R H X S+ 0 0 168 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.894 107.7 54.4 -65.5 -41.6 29.3 5.9 -18.9 289 289 A A H X S+ 0 0 5 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.926 113.0 43.5 -59.1 -44.0 28.6 8.7 -16.5 290 290 A F H ><>S+ 0 0 4 -4,-2.2 5,-2.8 1,-0.2 3,-1.0 0.923 111.2 51.7 -69.5 -44.6 25.2 9.4 -18.1 291 291 A S H ><5S+ 0 0 62 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.860 102.9 61.4 -62.3 -31.7 24.2 5.7 -18.5 292 292 A T H 3<5S+ 0 0 57 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.803 108.4 43.3 -63.6 -27.8 24.9 5.3 -14.8 293 293 A V T <<5S- 0 0 0 -3,-1.0 -80,-2.9 -4,-0.7 -1,-0.3 0.137 126.9 -98.8-103.7 19.5 22.2 7.9 -14.0 294 294 A G T < 5S+ 0 0 33 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.672 81.6 130.0 76.4 20.2 19.8 6.5 -16.6 295 295 A V < + 0 0 1 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.900 27.5 171.3-112.4 133.1 20.5 8.9 -19.4 296 296 A T - 0 0 83 -2,-0.4 -26,-0.1 -3,-0.1 -27,-0.1 -1.000 35.5-113.2-143.0 141.4 21.3 7.9 -23.0 297 297 A C 0 0 48 -2,-0.3 -30,-0.1 1,-0.1 -31,-0.1 -0.555 360.0 360.0 -72.6 127.5 21.7 9.8 -26.3 298 298 A P 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 0.980 360.0 360.0 -56.5 360.0 18.9 8.9 -28.7