==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-06 2CFU . COMPND 2 MOLECULE: SDSA1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.HAGELUEKEN,T.M.ADAMS,L.WIEHLMANN,U.WIDOW,H.KOLMAR,B.TUEMML . 627 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 3 2 3 1 1 1 0 3 0 3 2 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 2 2 3 2 2 1 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 . 1 0 0 1 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 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 20 A T 0 0 113 0, 0.0 495,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 6.0 18.5 174.7 2 21 A T + 0 0 63 2,-0.0 494,-0.0 494,-0.0 3,-0.0 -0.073 360.0 91.9-108.7 27.8 8.8 21.1 174.4 3 22 A A S S- 0 0 51 1,-0.1 0, 0.0 493,-0.0 0, 0.0 -0.882 87.3 -80.9-119.3 155.3 11.1 20.5 177.4 4 23 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 466,-0.1 -0.190 47.9-135.6 -52.5 146.1 14.3 18.3 177.6 5 24 A K - 0 0 36 1,-0.1 3,-0.1 465,-0.1 -3,-0.0 -0.634 23.3 -94.6-102.6 160.7 13.5 14.6 178.1 6 25 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.305 55.5 -84.8 -66.1 156.8 15.2 12.1 180.4 7 26 A P - 0 0 37 0, 0.0 64,-0.1 0, 0.0 63,-0.1 -0.439 51.9-122.6 -58.0 136.2 18.1 10.0 178.9 8 27 A S > - 0 0 24 1,-0.1 4,-2.8 62,-0.1 5,-0.2 -0.252 24.4-101.0 -74.2 171.8 16.6 6.9 177.3 9 28 A A H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.837 126.6 51.3 -60.8 -34.2 17.5 3.3 178.2 10 29 A F H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 108.4 50.0 -71.3 -37.4 19.7 3.3 175.1 11 30 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.941 110.4 50.3 -65.7 -43.7 21.4 6.5 176.1 12 31 A V H X S+ 0 0 46 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.939 110.6 49.7 -56.2 -48.3 22.0 5.0 179.6 13 32 A E H X S+ 0 0 93 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.852 108.5 53.7 -58.5 -37.5 23.5 1.9 178.0 14 33 A A H X S+ 0 0 26 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 107.9 49.9 -66.8 -40.1 25.7 4.1 175.8 15 34 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.902 109.3 51.2 -64.8 -40.0 27.1 5.9 178.9 16 35 A R H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 107.5 54.1 -64.4 -36.9 27.8 2.6 180.6 17 36 A R H X S+ 0 0 146 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.885 104.0 54.5 -64.0 -39.0 29.7 1.5 177.5 18 37 A V H X S+ 0 0 22 -4,-1.7 4,-2.5 1,-0.2 3,-0.2 0.948 109.2 48.7 -57.4 -47.1 31.9 4.7 177.7 19 38 A E H < S+ 0 0 74 -4,-1.9 5,-0.4 1,-0.2 -2,-0.2 0.868 111.7 49.3 -61.1 -37.3 32.8 3.7 181.3 20 39 A A H < S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.793 117.9 40.9 -70.1 -31.4 33.6 0.2 180.1 21 40 A E H < S+ 0 0 124 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.789 105.1 66.0 -91.4 -26.3 35.8 1.5 177.3 22 41 A L S < S- 0 0 13 -4,-2.5 2,-2.3 -5,-0.2 3,-0.2 -0.722 86.1-109.3-109.3 148.6 37.7 4.4 178.8 23 42 A P > + 0 0 28 0, 0.0 3,-1.9 0, 0.0 355,-0.1 -0.340 48.0 156.6 -76.4 61.8 40.4 4.4 181.6 24 43 A F T 3 + 0 0 59 -2,-2.3 -4,-0.1 -5,-0.4 -5,-0.0 0.785 68.9 69.2 -55.2 -27.7 38.4 6.1 184.4 25 44 A A T 3 S+ 0 0 105 -3,-0.2 2,-1.3 1,-0.1 -1,-0.3 0.748 80.7 83.8 -61.2 -27.7 40.9 4.4 186.9 26 45 A D < + 0 0 51 -3,-1.9 3,-0.2 1,-0.2 -1,-0.1 -0.708 51.7 154.8 -77.5 96.2 43.5 6.8 185.5 27 46 A R >> + 0 0 141 -2,-1.3 3,-1.7 1,-0.1 4,-0.7 0.207 29.3 116.2-109.3 14.2 42.7 9.9 187.7 28 47 A A H >> + 0 0 26 1,-0.3 4,-2.6 2,-0.2 3,-0.7 0.818 65.6 68.9 -55.7 -33.2 46.1 11.6 187.6 29 48 A D H 3> S+ 0 0 3 1,-0.2 4,-3.0 -3,-0.2 -1,-0.3 0.828 92.7 59.9 -53.7 -34.9 44.6 14.6 185.7 30 49 A F H <> S+ 0 0 23 -3,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.892 109.1 42.3 -62.0 -38.4 42.7 15.5 188.9 31 50 A E H XX S+ 0 0 124 -4,-0.7 4,-1.5 -3,-0.7 3,-0.7 0.907 114.7 51.2 -70.5 -44.2 46.1 15.8 190.7 32 51 A R H 3< S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.893 107.8 52.0 -58.0 -44.0 47.6 17.6 187.8 33 52 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.665 116.5 40.3 -71.2 -18.8 44.8 20.1 187.6 34 53 A D H X< S+ 0 0 67 -3,-0.7 3,-1.8 -4,-0.6 -1,-0.2 0.596 87.5 117.1-100.5 -15.4 45.2 20.9 191.3 35 54 A R T 3< S+ 0 0 133 -4,-1.5 55,-0.0 1,-0.3 -3,-0.0 -0.271 83.6 8.4 -61.5 134.9 49.0 20.9 191.5 36 55 A G T 3 S+ 0 0 27 1,-0.2 54,-2.7 53,-0.1 -1,-0.3 0.569 83.3 170.4 71.6 15.5 50.5 24.2 192.4 37 56 A L E < +A 89 0A 67 -3,-1.8 52,-0.2 52,-0.2 -1,-0.2 -0.358 11.8 171.6 -61.1 128.4 47.2 25.9 193.3 38 57 A I E - 0 0 50 50,-3.3 2,-0.3 1,-0.3 51,-0.2 0.777 66.6 -4.6-103.5 -46.2 47.8 29.2 195.0 39 58 A R E -A 88 0A 121 49,-1.5 49,-2.6 2,-0.0 -1,-0.3 -0.908 44.7-169.5-157.2 124.2 44.3 30.6 195.1 40 59 A R - 0 0 63 -2,-0.3 47,-0.1 47,-0.2 4,-0.0 -0.941 36.2-130.9-105.4 102.6 40.8 29.5 193.8 41 60 A P - 0 0 22 0, 0.0 45,-0.1 0, 0.0 -2,-0.0 -0.342 19.1-120.5 -53.6 139.0 38.6 32.6 194.4 42 61 A E S S+ 0 0 185 1,-0.1 2,-0.4 2,-0.0 -3,-0.0 0.863 92.8 8.1 -50.7 -53.4 35.4 31.5 196.2 43 62 A R S S- 0 0 228 2,-0.1 2,-0.5 13,-0.0 -1,-0.1 -0.952 72.5-145.3-127.0 150.3 33.1 32.7 193.5 44 63 A L + 0 0 17 -2,-0.4 13,-1.3 2,-0.0 14,-0.5 -0.976 29.6 154.2-119.5 121.4 34.0 34.0 190.2 45 64 A L E -H 56 0B 82 -2,-0.5 2,-0.5 11,-0.2 11,-0.2 -0.889 17.0-172.2-146.3 109.7 32.0 36.8 188.6 46 65 A I E -H 55 0B 11 9,-3.1 8,-2.5 -2,-0.3 9,-1.7 -0.929 7.8-160.1-110.5 126.8 33.6 39.2 186.1 47 66 A R E -H 53 0B 152 -2,-0.5 6,-0.2 6,-0.3 5,-0.1 -0.755 10.8-131.5-108.6 149.1 31.7 42.3 184.8 48 67 A N > - 0 0 10 4,-3.4 3,-2.1 -2,-0.3 177,-0.1 -0.560 32.2-105.3 -91.2 159.2 32.2 44.4 181.7 49 68 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 176,-0.0 0.784 122.0 55.0 -52.9 -33.3 32.4 48.2 181.7 50 69 A D T 3 S- 0 0 128 2,-0.0 3,-0.1 1,-0.0 -3,-0.0 0.434 123.7-105.5 -82.7 0.6 28.9 48.5 180.3 51 70 A G S < S+ 0 0 49 -3,-2.1 2,-0.1 1,-0.3 -1,-0.0 0.363 78.1 131.7 95.4 -7.3 27.6 46.3 183.2 52 71 A S - 0 0 50 1,-0.1 -4,-3.4 -5,-0.1 2,-0.6 -0.346 65.6-103.8 -69.1 161.7 27.1 43.1 181.3 53 72 A V E -H 47 0B 57 -6,-0.2 -6,-0.3 1,-0.2 171,-0.2 -0.812 31.5-175.1 -93.4 121.1 28.6 39.9 182.8 54 73 A A E - 0 0 5 -8,-2.5 170,-2.1 -2,-0.6 2,-0.3 0.870 66.8 -9.9 -78.6 -40.0 31.8 38.7 181.1 55 74 A W E +H 46 0B 17 -9,-1.7 -9,-3.1 168,-0.2 2,-0.3 -0.984 56.9 166.7-162.6 141.5 32.3 35.4 183.0 56 75 A Q E -H 45 0B 110 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.963 19.7-161.0-158.7 151.7 30.9 33.5 185.9 57 76 A L > + 0 0 8 -13,-1.3 3,-2.3 -2,-0.3 -12,-0.1 0.511 68.3 96.9-111.9 -6.5 31.3 29.9 187.1 58 77 A G G > S+ 0 0 40 -14,-0.5 3,-1.5 1,-0.3 4,-0.2 0.736 73.9 68.2 -56.3 -27.1 28.3 29.6 189.5 59 78 A G G 3 S+ 0 0 38 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.648 93.7 60.3 -67.5 -14.7 26.2 28.0 186.7 60 79 A Y G X + 0 0 10 -3,-2.3 3,-2.2 1,-0.2 4,-0.5 0.371 67.5 108.8 -95.0 7.7 28.4 24.9 186.9 61 80 A D G X + 0 0 97 -3,-1.5 3,-1.8 1,-0.3 4,-0.5 0.806 66.3 69.6 -54.3 -31.8 27.8 24.1 190.6 62 81 A F G 3 S+ 0 0 35 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.748 96.4 55.6 -58.5 -24.2 25.7 21.0 189.6 63 82 A L G X S+ 0 0 1 -3,-2.2 3,-1.5 1,-0.2 -1,-0.3 0.716 88.4 79.7 -78.8 -21.4 29.0 19.4 188.5 64 83 A L T < S+ 0 0 100 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.764 79.9 61.8 -64.5 -32.8 30.7 19.9 191.8 65 84 A D T 3 S- 0 0 85 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.683 98.7-139.0 -64.6 -14.5 29.2 16.9 193.7 66 85 A G < + 0 0 40 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.501 48.8 150.2 68.5 7.7 31.0 14.9 191.0 67 86 A K - 0 0 133 -5,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.470 52.0-106.4 -74.3 138.1 28.0 12.5 190.7 68 87 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.404 30.7-164.8 -68.4 138.1 27.4 10.8 187.3 69 88 A R > - 0 0 72 3,-0.3 3,-1.9 -2,-0.1 8,-0.1 -0.997 15.1-147.1-126.7 119.8 24.5 12.2 185.2 70 89 A D T 3 S+ 0 0 43 -2,-0.4 -55,-0.1 1,-0.3 -62,-0.1 0.556 96.0 68.5 -71.3 -4.5 23.3 10.0 182.3 71 90 A S T 3 S+ 0 0 9 -64,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.382 99.2 63.3 -88.3 3.9 22.3 13.0 180.2 72 91 A I S < S- 0 0 1 -3,-1.9 -3,-0.3 406,-0.1 406,-0.1 -0.990 93.8-115.1-129.4 127.9 26.1 13.7 180.1 73 92 A N > - 0 0 5 404,-0.5 4,-2.6 406,-0.5 5,-0.2 -0.393 29.6-132.9 -55.0 125.8 28.7 11.5 178.4 74 93 A P H > S+ 0 0 13 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.739 105.2 54.1 -61.0 -25.7 30.9 10.4 181.4 75 94 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.914 111.5 45.0 -70.8 -46.6 34.1 11.2 179.6 76 95 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 109.7 55.5 -63.0 -37.8 32.9 14.7 178.9 77 96 A Q H X S+ 0 0 17 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.897 105.8 52.3 -61.9 -37.7 31.7 15.0 182.4 78 97 A R H X S+ 0 0 13 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.925 112.6 44.1 -59.6 -48.7 35.3 14.2 183.6 79 98 A Q H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.889 109.6 58.2 -63.5 -39.1 36.7 16.9 181.3 80 99 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 109.4 43.3 -62.1 -36.4 33.9 19.3 182.5 81 100 A L H >< S+ 0 0 27 -4,-1.7 3,-1.4 -3,-0.2 -1,-0.2 0.895 111.0 53.5 -77.2 -42.6 35.0 18.9 186.1 82 101 A L H >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.882 105.0 56.1 -58.6 -39.4 38.7 19.2 185.4 83 102 A N T 3< S+ 0 0 13 -4,-2.6 137,-0.3 1,-0.3 -1,-0.3 0.601 97.1 64.9 -67.6 -12.3 38.0 22.5 183.5 84 103 A L T < S+ 0 0 11 -3,-1.4 2,-1.8 -5,-0.2 -1,-0.3 0.368 71.0 102.1 -87.6 1.5 36.4 23.8 186.7 85 104 A K < + 0 0 38 -3,-1.7 2,-0.2 -4,-0.1 -1,-0.1 -0.650 60.8 158.2 -84.3 78.8 39.8 23.6 188.4 86 105 A Y + 0 0 25 -2,-1.8 2,-0.3 14,-0.1 14,-0.2 -0.523 11.2 66.0-101.9 171.3 40.2 27.4 188.1 87 106 A G E S- B 0 99A 0 12,-2.5 12,-2.2 -2,-0.2 2,-0.5 -0.838 85.6 -26.1 121.2-158.0 42.3 30.1 189.8 88 107 A L E -AB 39 98A 0 -49,-2.6 -50,-3.3 -2,-0.3 -49,-1.5 -0.852 61.2-178.5-102.0 128.9 46.0 31.0 190.2 89 108 A F E -AB 37 97A 1 8,-2.8 8,-2.2 -2,-0.5 2,-0.5 -0.934 28.4-132.0-130.2 145.2 48.6 28.2 189.8 90 109 A E E + B 0 96A 82 -54,-2.7 6,-0.2 -2,-0.3 3,-0.1 -0.834 22.2 175.6 -87.9 132.0 52.3 27.7 190.0 91 110 A V E - 0 0 4 4,-3.0 2,-0.3 1,-0.6 5,-0.2 0.759 69.0 -31.0 -98.7 -44.9 53.6 25.7 187.0 92 111 A A E > S- B 0 95A 19 3,-1.4 3,-2.5 -56,-0.1 -1,-0.6 -0.907 99.8 -39.7-162.2 179.0 57.3 25.9 187.8 93 112 A E T 3 S- 0 0 146 1,-0.3 3,-0.1 -2,-0.3 17,-0.0 -0.290 130.2 -4.5 -59.3 122.0 59.6 28.4 189.6 94 113 A G T 3 S+ 0 0 0 1,-0.2 16,-3.6 -2,-0.1 2,-0.5 0.640 110.7 108.7 69.8 15.7 58.5 31.9 188.5 95 114 A I E < +BC 92 109A 0 -3,-2.5 -4,-3.0 14,-0.2 -3,-1.4 -0.980 41.8 168.0-126.6 118.1 55.9 30.6 186.1 96 115 A Y E -BC 90 108A 22 12,-2.8 12,-2.5 -2,-0.5 2,-0.3 -0.862 16.1-160.5-125.6 156.3 52.2 31.0 186.9 97 116 A Q E -BC 89 107A 0 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.6 -0.996 14.1-147.3-135.3 144.4 48.9 30.6 185.1 98 117 A V E -BC 88 106A 0 8,-2.6 8,-1.8 -2,-0.3 2,-0.3 -0.968 31.0-173.4-104.6 114.8 45.4 31.8 185.8 99 118 A R E +B 87 0A 9 -12,-2.2 -12,-2.5 -2,-0.6 6,-0.1 -0.791 56.1 23.8-107.8 152.7 43.1 29.1 184.5 100 119 A G S S+ 0 0 10 2,-0.3 -1,-0.2 -2,-0.3 -14,-0.1 0.699 81.7 109.7 70.6 17.4 39.3 29.1 184.1 101 120 A F S S- 0 0 3 3,-0.4 2,-0.3 -3,-0.3 4,-0.1 0.472 98.2 -16.1 -92.4 -3.2 38.9 32.9 184.0 102 121 A D S S- 0 0 1 2,-0.4 118,-0.4 121,-0.1 -2,-0.3 -0.887 96.5 -66.7-179.0-176.4 38.0 32.5 180.3 103 122 A L S S+ 0 0 4 -2,-0.3 -3,-0.1 116,-0.2 2,-0.1 0.917 117.0 43.0 -60.3 -44.2 38.3 29.8 177.6 104 123 A A S S- 0 0 0 50,-0.3 -2,-0.4 219,-0.1 -3,-0.4 -0.365 86.0-110.9 -95.1 174.3 42.1 30.1 177.6 105 124 A N - 0 0 5 217,-2.4 16,-0.4 -6,-0.1 2,-0.4 -0.676 19.2-143.7 -96.7 160.4 44.8 30.4 180.2 106 125 A I E -C 98 0A 0 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.4 -0.984 16.9-150.4-125.3 136.3 46.9 33.5 180.8 107 126 A T E -CD 97 118A 1 11,-2.2 11,-2.6 -2,-0.4 2,-0.5 -0.931 8.1-162.4-117.1 131.5 50.5 32.9 181.8 108 127 A F E -CD 96 117A 0 -12,-2.5 -12,-2.8 -2,-0.4 2,-0.5 -0.955 7.4-167.6-113.9 121.6 52.7 35.1 184.0 109 128 A I E -CD 95 116A 0 7,-3.2 7,-2.7 -2,-0.5 2,-0.4 -0.946 25.3-120.3-113.6 124.5 56.4 34.6 183.8 110 129 A R E - D 0 115A 89 -16,-3.6 2,-0.2 -2,-0.5 5,-0.2 -0.487 34.0-177.2 -65.2 117.6 58.6 36.3 186.5 111 130 A G - 0 0 1 3,-2.2 136,-0.2 -2,-0.4 135,-0.1 -0.574 43.6 -98.0-102.9 175.0 61.1 38.7 184.9 112 131 A D S S+ 0 0 115 134,-3.0 135,-0.1 -2,-0.2 3,-0.1 0.845 119.7 16.2 -62.2 -31.6 63.8 40.6 186.9 113 132 A S S S- 0 0 49 1,-0.2 2,-0.3 133,-0.2 -1,-0.2 0.329 132.2 -23.8-128.3 5.3 61.6 43.8 186.9 114 133 A G S S- 0 0 0 132,-0.2 -3,-2.2 27,-0.1 2,-0.2 -0.968 83.0 -48.5 172.4-169.2 58.0 42.8 186.0 115 134 A W E -De 110 143A 6 27,-2.6 29,-2.3 -2,-0.3 30,-1.3 -0.627 25.2-152.4 -89.5 147.1 56.0 40.1 184.3 116 135 A I E -De 109 145A 0 -7,-2.7 -7,-3.2 -2,-0.2 2,-0.5 -0.986 30.0-156.4-104.3 125.0 56.4 38.6 180.8 117 136 A V E -De 108 146A 0 28,-3.3 30,-3.2 -2,-0.5 2,-0.6 -0.915 11.1-154.4-109.1 131.4 52.7 37.7 180.0 118 137 A V E -De 107 147A 0 -11,-2.6 -11,-2.2 -2,-0.5 30,-0.2 -0.932 65.9 -16.2-106.6 119.1 51.8 35.0 177.5 119 138 A D - 0 0 0 28,-3.1 -12,-0.2 -2,-0.6 37,-0.2 0.200 57.7-133.2 68.8 166.5 48.3 35.6 176.0 120 139 A T - 0 0 0 35,-2.2 7,-0.3 1,-0.3 41,-0.2 0.165 36.4-117.4-142.5 16.3 45.6 37.8 177.3 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54.9 -60.9 -30.7 7.8 7.6 148.9 425 446 A M T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.157 129.6 -95.0 -88.7 13.5 7.7 6.6 152.5 426 447 A G T < 5S- 0 0 55 -3,-2.0 4,-0.4 4,-0.1 -3,-0.2 0.583 73.3 -64.8 89.3 11.1 3.8 6.7 152.5 427 448 A G >< - 0 0 24 -5,-2.9 4,-3.0 -6,-0.2 5,-0.2 -0.159 69.9 -59.7 96.9 167.3 3.3 10.2 153.8 428 449 A A H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.880 130.2 47.8 -54.9 -47.4 4.0 12.1 157.0 429 450 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 114.9 45.2 -65.5 -42.2 2.0 9.9 159.4 430 451 A R H > S+ 0 0 108 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.915 112.8 51.4 -66.1 -43.8 3.4 6.7 158.0 431 452 A L H X S+ 0 0 2 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.946 111.3 48.0 -56.8 -49.6 6.9 8.1 158.1 432 453 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.888 108.7 54.7 -56.5 -41.7 6.4 9.2 161.8 433 454 A E H X S+ 0 0 120 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.943 113.0 41.4 -60.3 -48.3 5.0 5.7 162.6 434 455 A Q H X S+ 0 0 84 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.928 114.9 51.3 -63.8 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18.9 7.9 166.8 445 466 A R H 3> S+ 0 0 151 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.850 114.0 40.8 -66.0 -32.8 21.5 8.4 164.1 446 467 A W H X> S+ 0 0 110 -3,-0.6 4,-2.5 2,-0.2 3,-0.5 0.901 112.1 55.0 -73.2 -49.7 19.0 7.0 161.6 447 468 A V H 3X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.916 106.9 50.7 -54.1 -43.9 16.0 8.8 163.1 448 469 A V H 3X S+ 0 0 22 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.815 111.5 48.5 -68.3 -27.7 17.6 12.2 162.8 449 470 A E H X S+ 0 0 7 -4,-2.5 4,-1.0 1,-0.2 3,-0.5 0.891 117.4 47.2 -73.6 -42.6 15.0 10.4 158.1 451 472 A V H 3X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.827 102.1 66.5 -70.2 -29.6 12.8 12.7 160.3 452 473 A N H 3X S+ 0 0 47 -4,-0.8 4,-2.4 -5,-0.4 -1,-0.2 0.854 96.5 57.5 -53.3 -35.1 14.9 15.7 159.0 453 474 A R H < + 0 0 75 -4,-3.0 3,-2.3 -5,-0.2 -1,-0.2 -0.655 65.7 174.8-138.7 75.5 6.8 20.2 156.4 459 480 A P T 3 S+ 0 0 39 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.600 82.9 54.5 -66.6 -8.7 8.5 22.7 158.7 460 481 A D T 3 S+ 0 0 150 -5,-0.0 2,-1.2 4,-0.0 3,-0.1 0.311 74.6 114.2-102.8 5.1 5.2 23.4 160.6 461 482 A N <> - 0 0 26 -3,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.689 47.8-170.7 -77.1 97.7 4.6 19.7 161.4 462 483 A R H > S+ 0 0 181 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.873 81.7 56.8 -58.9 -42.9 5.0 19.9 165.2 463 484 A A H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.906 109.7 45.4 -58.6 -41.8 5.0 16.1 165.6 464 485 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 112.9 49.1 -67.3 -47.4 8.0 15.8 163.2 465 486 A R H X S+ 0 0 43 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.905 110.8 51.4 -60.4 -40.6 9.9 18.6 164.8 466 487 A E H X S+ 0 0 50 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.830 112.6 44.4 -66.8 -36.1 9.3 17.2 168.4 467 488 A L H X S+ 0 0 11 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.897 113.7 49.6 -73.3 -44.6 10.6 13.7 167.4 468 489 A Q H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.938 112.9 49.0 -57.9 -49.9 13.6 15.0 165.5 469 490 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.913 109.9 50.8 -55.4 -46.3 14.3 17.1 168.6 470 491 A D H X S+ 0 0 30 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.907 113.4 44.9 -60.6 -42.7 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43.7 -59.4 -35.2 41.7 55.7 160.4 579 604 A D H <> S+ 0 0 16 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.804 109.7 54.7 -81.0 -32.6 38.8 57.9 159.3 580 605 A L H X S+ 0 0 21 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 106.9 53.6 -63.4 -40.9 37.4 55.2 157.1 581 606 A N H X S+ 0 0 15 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.952 107.1 50.1 -58.1 -48.6 37.4 53.0 160.2 582 607 A R H <>S+ 0 0 69 -4,-1.6 5,-2.7 1,-0.2 6,-0.9 0.809 108.0 54.1 -57.2 -38.0 35.5 55.5 162.2 583 608 A L H ><5S+ 0 0 38 -4,-1.7 3,-1.2 3,-0.2 -1,-0.2 0.917 109.3 46.7 -61.8 -47.4 32.9 55.8 159.4 584 609 A L H 3<5S+ 0 0 57 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.786 111.9 51.5 -66.6 -29.2 32.2 52.1 159.3 585 610 A L T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.330 112.4-121.4 -88.4 2.3 32.0 52.0 163.1 586 611 A K T < 5S+ 0 0 166 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.725 76.5 128.7 60.9 26.7 29.5 54.9 163.0 587 612 A E S - 0 0 57 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.604 21.0-125.6 -88.4 151.7 29.3 60.8 159.8 590 615 A A H > S+ 0 0 43 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.902 112.6 57.4 -62.3 -38.7 30.5 61.0 156.2 591 616 A V H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 106.4 47.1 -58.1 -45.8 29.0 64.6 156.1 592 617 A R H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 111.7 51.8 -62.3 -41.7 31.1 65.7 159.2 593 618 A L H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 6,-1.1 0.868 108.6 50.6 -62.1 -38.6 34.3 64.2 157.6 594 619 A V H ><5S+ 0 0 78 -4,-2.2 3,-1.1 4,-0.2 -1,-0.2 0.929 111.6 47.0 -67.6 -41.8 33.7 66.1 154.3 595 620 A F H 3<5S+ 0 0 176 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.820 109.7 54.1 -68.9 -26.9 33.2 69.4 156.1 596 621 A E T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.515 115.6-116.9 -79.9 -6.0 36.3 68.7 158.2 597 622 A G T < 5S+ 0 0 35 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.729 86.7 116.1 74.3 22.9 38.3 68.2 155.0 598 623 A K S - 0 0 68 -34,-3.1 3,-1.1 -2,-0.2 4,-0.3 -0.680 65.8-156.3 -75.5 110.2 31.7 62.6 139.9 605 630 A P T 3 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.627 83.8 64.2 -65.5 -11.7 31.1 63.0 143.7 606 631 A L T 3> S+ 0 0 110 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.666 75.6 82.9 -88.3 -19.7 28.2 60.5 143.6 607 632 A L H <> S+ 0 0 18 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 0.909 90.5 47.7 -58.8 -47.6 29.9 57.2 142.6 608 633 A L H > S+ 0 0 49 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.886 114.2 49.8 -62.0 -35.8 31.1 56.0 146.0 609 634 A G H > S+ 0 0 48 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.910 110.0 50.2 -65.6 -45.9 27.7 56.8 147.4 610 635 A Q H < S+ 0 0 90 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.911 111.6 48.2 -58.5 -46.2 26.0 54.9 144.6 611 636 A L H >< S+ 0 0 6 -4,-3.0 3,-1.9 1,-0.2 4,-0.3 0.960 110.6 51.1 -60.4 -49.4 28.3 51.9 145.3 612 637 A F H >< S+ 0 0 118 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.873 103.2 60.3 -54.7 -39.9 27.6 52.1 149.0 613 638 A G T 3< S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.582 98.0 59.2 -64.0 -12.9 23.8 52.1 148.2 614 639 A M T < S+ 0 0 15 -3,-1.9 -87,-2.5 -4,-0.5 2,-0.4 0.487 80.7 111.3 -92.7 -7.2 24.2 48.6 146.5 615 640 A L B < -P 526 0F 27 -3,-1.7 -89,-0.2 -4,-0.3 2,-0.1 -0.580 53.2-159.7 -77.6 123.7 25.5 47.1 149.7 616 641 A G - 0 0 22 -91,-3.1 2,-0.3 -2,-0.4 -1,-0.1 -0.220 6.3-130.3 -90.1-177.6 23.2 44.6 151.3 617 642 A D - 0 0 134 -2,-0.1 2,-0.4 -91,-0.0 -1,-0.0 -0.887 10.6-128.7-132.1 163.0 22.9 43.2 154.9 618 643 A F - 0 0 91 -2,-0.3 2,-0.3 4,-0.0 -93,-0.0 -0.957 15.6-130.9-119.4 131.9 22.7 39.7 156.4 619 644 A D - 0 0 142 -2,-0.4 3,-0.5 1,-0.1 -2,-0.0 -0.644 15.3-150.1 -76.1 134.0 20.2 38.6 159.0 620 645 A F S S+ 0 0 52 -2,-0.3 2,-1.6 1,-0.2 -1,-0.1 0.928 85.2 59.6 -71.2 -47.9 22.0 36.8 161.9 621 646 A W S S+ 0 0 56 -121,-0.1 -1,-0.2 -122,-0.0 3,-0.1 -0.220 71.7 161.7 -86.4 53.5 19.3 34.4 162.9 622 647 A F - 0 0 69 -2,-1.6 2,-0.1 -3,-0.5 6,-0.0 -0.296 46.4 -94.1 -69.7 154.0 19.0 32.5 159.7 623 648 A D + 0 0 44 1,-0.1 5,-0.1 -124,-0.1 -1,-0.1 -0.430 45.0 165.8 -69.6 142.8 17.3 29.0 159.8 624 649 A I S S+ 0 0 53 -2,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.705 74.6 40.1-119.6 -48.3 19.5 25.9 160.2 625 650 A V S S+ 0 0 21 2,-0.1 -2,-0.1 -134,-0.1 -170,-0.0 0.373 121.3 36.8 -93.8 1.7 17.2 23.0 161.1 626 651 A T S S- 0 0 15 -170,-0.0 -170,-0.1 -169,-0.0 3,-0.1 -0.930 98.5 -89.2-138.4 164.9 14.4 23.9 158.8 627 652 A P S S- 0 0 23 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.375 72.3 -64.7 -67.6 160.9 14.3 25.5 155.4 628 653 A A 0 0 92 1,-0.1 -6,-0.1 -5,-0.1 -4,-0.0 -0.248 360.0 360.0 -53.0 123.9 14.2 29.3 155.4 629 654 A A 0 0 128 -3,-0.1 -1,-0.1 -170,-0.0 -6,-0.0 -0.159 360.0 360.0 -45.2 360.0 11.0 30.7 157.0