==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-06 2CG2 . COMPND 2 MOLECULE: SDSA1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.HAGELUEKEN,T.M.ADAMS,L.WIEHLMANN,U.WIDOW,H.KOLMAR, . 629 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 70.0 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 11.1 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 . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 2 2 1 1 0 3 1 2 2 1 1 1 0 0 0 0 0 0 0 0 0 1 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 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.1 6.2 18.4 174.6 2 21 A T + 0 0 58 2,-0.1 496,-0.1 496,-0.0 3,-0.0 -0.123 360.0 90.7-116.1 28.5 8.9 21.1 174.2 3 22 A A S S- 0 0 50 1,-0.0 0, 0.0 495,-0.0 0, 0.0 -0.891 87.8 -81.3-117.8 158.7 11.2 20.4 177.2 4 23 A P - 0 0 56 0, 0.0 -2,-0.1 0, 0.0 468,-0.1 -0.295 46.7-137.0 -57.6 140.3 14.3 18.1 177.4 5 24 A K - 0 0 40 1,-0.1 3,-0.1 467,-0.1 -3,-0.0 -0.527 24.2 -92.6 -93.1 162.8 13.5 14.4 177.9 6 25 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.303 55.2 -85.5 -64.8 158.5 15.3 11.9 180.2 7 26 A P - 0 0 36 0, 0.0 64,-0.1 0, 0.0 63,-0.1 -0.438 52.4-123.4 -57.8 137.5 18.1 9.8 178.8 8 27 A S > - 0 0 23 1,-0.1 4,-3.1 62,-0.1 5,-0.2 -0.316 24.4-100.4 -77.4 170.2 16.5 6.8 177.1 9 28 A A H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.858 127.4 50.6 -56.7 -37.9 17.5 3.2 178.0 10 29 A F H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 109.4 48.8 -69.7 -40.2 19.7 3.2 174.9 11 30 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.931 111.3 51.0 -64.4 -41.5 21.4 6.4 175.9 12 31 A V H X S+ 0 0 43 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.950 110.3 49.0 -58.5 -48.8 21.9 5.0 179.4 13 32 A E H X S+ 0 0 88 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.857 108.4 53.9 -57.7 -37.1 23.5 1.9 177.8 14 33 A A H X S+ 0 0 25 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.923 107.7 50.2 -68.6 -38.3 25.7 4.0 175.6 15 34 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.918 109.6 50.8 -64.6 -40.1 27.0 5.9 178.7 16 35 A R H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.881 107.3 54.5 -63.4 -36.8 27.8 2.6 180.4 17 36 A R H X S+ 0 0 140 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.919 105.1 53.0 -61.4 -44.4 29.7 1.5 177.3 18 37 A V H >X S+ 0 0 21 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.945 108.9 49.7 -55.6 -48.7 31.8 4.7 177.5 19 38 A E H 3< S+ 0 0 70 -4,-2.2 5,-0.4 1,-0.3 -1,-0.2 0.864 111.8 49.0 -59.1 -34.4 32.7 3.8 181.1 20 39 A A H 3< S+ 0 0 81 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.724 116.5 42.1 -75.0 -25.2 33.6 0.3 180.0 21 40 A E H << S+ 0 0 120 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.718 104.5 66.0 -98.4 -21.1 35.8 1.5 177.2 22 41 A L S < S- 0 0 13 -4,-2.3 2,-2.5 -5,-0.2 3,-0.2 -0.779 86.1-110.5-113.8 149.0 37.7 4.4 178.7 23 42 A P > + 0 0 30 0, 0.0 3,-1.5 0, 0.0 357,-0.1 -0.376 47.5 157.7 -79.1 66.9 40.3 4.4 181.5 24 43 A F T 3 + 0 0 55 -2,-2.5 -4,-0.1 -5,-0.4 -5,-0.0 0.769 68.4 70.3 -58.4 -24.0 38.4 6.1 184.2 25 44 A A T 3 S+ 0 0 105 -3,-0.2 2,-1.3 1,-0.1 -1,-0.2 0.772 79.3 84.6 -63.4 -27.0 40.7 4.5 186.7 26 45 A D < + 0 0 54 -3,-1.5 3,-0.2 1,-0.2 -1,-0.1 -0.684 51.7 156.4 -75.7 93.8 43.4 6.8 185.4 27 46 A R >> + 0 0 137 -2,-1.3 3,-1.8 1,-0.1 4,-0.7 0.197 30.3 115.5-103.8 11.0 42.5 9.9 187.6 28 47 A A H >> + 0 0 27 1,-0.3 4,-2.4 2,-0.2 3,-0.9 0.842 65.6 67.4 -57.1 -33.6 45.9 11.6 187.4 29 48 A D H 3> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.816 94.4 59.1 -54.8 -31.1 44.5 14.6 185.5 30 49 A F H <4 S+ 0 0 19 -3,-1.8 4,-0.4 2,-0.2 -1,-0.3 0.873 109.3 42.2 -65.9 -37.0 42.6 15.5 188.7 31 50 A E H 4 S+ 0 0 64 -4,-0.4 3,-1.7 -5,-0.2 -1,-0.2 0.599 86.6 117.8-102.4 -14.8 44.9 20.9 191.1 35 54 A R T 3< S+ 0 0 133 -4,-1.1 -3,-0.0 1,-0.3 55,-0.0 -0.254 83.9 6.7 -57.2 132.1 48.7 20.9 191.2 36 55 A G T 3 S+ 0 0 31 1,-0.2 54,-2.8 53,-0.1 -1,-0.3 0.620 83.0 170.7 73.8 14.7 50.2 24.3 192.2 37 56 A L E < +A 89 0A 67 -3,-1.7 52,-0.2 52,-0.2 -1,-0.2 -0.386 12.3 172.3 -60.6 128.9 46.9 25.8 193.1 38 57 A I E - 0 0 47 50,-3.2 2,-0.3 1,-0.3 51,-0.2 0.805 66.4 -4.2-100.8 -51.9 47.5 29.2 194.8 39 58 A R E -A 88 0A 125 49,-1.1 49,-2.6 2,-0.0 -1,-0.3 -0.943 45.5-169.7-152.6 120.7 43.9 30.6 194.9 40 59 A R - 0 0 63 -2,-0.3 47,-0.1 47,-0.2 -3,-0.0 -0.926 34.8-133.1-100.7 99.8 40.5 29.4 193.7 41 60 A P - 0 0 25 0, 0.0 3,-0.4 0, 0.0 45,-0.1 -0.321 18.6-120.8 -57.3 138.1 38.3 32.5 194.3 42 61 A E S S+ 0 0 170 1,-0.2 2,-0.2 2,-0.0 -3,-0.0 0.809 91.6 8.1 -53.3 -46.1 35.1 31.3 195.9 43 62 A R S S- 0 0 151 2,-0.1 -1,-0.2 13,-0.0 2,-0.2 -0.661 75.6-147.3-148.2 88.9 32.5 32.5 193.3 44 63 A L + 0 0 18 -3,-0.4 13,-1.3 -2,-0.2 14,-0.5 -0.354 27.7 158.6 -72.1 123.6 33.7 33.9 190.0 45 64 A L E -H 56 0B 75 -2,-0.2 2,-0.5 11,-0.2 11,-0.2 -0.942 15.7-170.6-144.1 113.8 31.7 36.6 188.4 46 65 A I E -H 55 0B 9 9,-3.3 8,-2.9 -2,-0.3 9,-1.6 -0.953 6.9-160.4-118.8 127.6 33.2 39.0 185.9 47 66 A R E -H 53 0B 159 -2,-0.5 6,-0.2 6,-0.3 5,-0.1 -0.769 10.8-132.5-109.8 143.0 31.4 42.0 184.6 48 67 A N > - 0 0 8 4,-2.9 3,-2.3 -2,-0.3 179,-0.0 -0.557 32.0-106.2 -85.0 158.7 31.9 44.2 181.5 49 68 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 178,-0.0 0.860 121.6 56.4 -48.6 -42.8 32.0 48.0 181.5 50 69 A D T 3 S- 0 0 129 1,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.445 123.1-106.2 -74.7 3.6 28.5 48.2 180.0 51 70 A G S < S+ 0 0 52 -3,-2.3 -1,-0.1 1,-0.3 3,-0.0 0.268 78.2 130.8 87.0 -8.1 27.2 46.1 183.0 52 71 A S - 0 0 51 1,-0.1 -4,-2.9 -5,-0.1 2,-0.6 -0.223 66.1-104.3 -62.9 165.5 26.8 42.8 181.1 53 72 A V E -H 47 0B 60 -6,-0.2 -6,-0.3 1,-0.2 173,-0.2 -0.852 31.5-174.9 -98.3 121.4 28.2 39.6 182.6 54 73 A A E - 0 0 3 -8,-2.9 172,-2.5 -2,-0.6 2,-0.3 0.877 66.2 -11.4 -80.6 -36.6 31.5 38.5 180.9 55 74 A W E +H 46 0B 16 -9,-1.6 -9,-3.3 170,-0.2 -1,-0.3 -0.978 56.8 165.6-166.6 139.9 31.9 35.2 182.7 56 75 A Q E -H 45 0B 105 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.953 21.5-158.1-159.1 158.7 30.7 33.2 185.7 57 76 A L > + 0 0 7 -13,-1.3 3,-2.1 -2,-0.3 -12,-0.1 0.441 69.5 97.4-115.5 -7.2 31.1 29.6 186.9 58 77 A G G > S+ 0 0 24 -14,-0.5 3,-1.8 1,-0.3 4,-0.2 0.797 73.9 66.1 -54.9 -35.0 28.1 29.4 189.2 59 78 A G G 3 S+ 0 0 39 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.629 95.7 60.7 -62.9 -12.4 25.9 27.8 186.5 60 79 A Y G X + 0 0 10 -3,-2.1 3,-2.3 1,-0.2 4,-0.4 0.330 66.9 108.0 -95.5 8.4 28.2 24.7 186.7 61 80 A D G X + 0 0 61 -3,-1.8 3,-2.2 1,-0.3 4,-0.5 0.847 65.6 71.9 -59.8 -31.9 27.6 23.9 190.3 62 81 A F G 3 S+ 0 0 34 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.733 95.8 54.1 -49.9 -25.5 25.6 20.8 189.3 63 82 A L G X S+ 0 0 1 -3,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.674 86.3 82.4 -84.9 -17.2 28.9 19.2 188.3 64 83 A L T < S+ 0 0 96 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.794 81.7 60.2 -65.4 -33.4 30.7 19.8 191.6 65 84 A D T 3 S- 0 0 77 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.686 98.8-137.6 -63.3 -17.4 29.3 16.7 193.4 66 85 A G < + 0 0 35 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.565 47.9 154.8 66.6 8.0 31.0 14.6 190.6 67 86 A K - 0 0 136 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.536 49.9-109.2 -68.9 125.5 27.9 12.4 190.5 68 87 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.274 30.4-161.0 -51.5 134.4 27.4 10.7 187.0 69 88 A R > - 0 0 76 3,-0.3 3,-1.8 1,-0.1 8,-0.1 -0.999 13.0-148.8-125.5 122.2 24.5 12.2 185.0 70 89 A D T 3 S+ 0 0 42 -2,-0.4 -55,-0.1 1,-0.3 -62,-0.1 0.560 96.2 66.9 -73.2 -7.9 23.3 10.0 182.1 71 90 A S T 3 S+ 0 0 9 1,-0.1 2,-0.4 -64,-0.1 -1,-0.3 0.376 100.1 64.8 -89.5 6.4 22.3 13.0 180.0 72 91 A I S < S- 0 0 1 -3,-1.8 -3,-0.3 408,-0.1 408,-0.1 -0.986 93.9-115.5-127.0 128.1 26.1 13.6 179.9 73 92 A N > - 0 0 6 406,-0.6 4,-2.6 408,-0.5 5,-0.2 -0.359 30.2-132.8 -49.8 129.1 28.7 11.4 178.2 74 93 A P H > S+ 0 0 12 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.770 105.1 53.2 -66.0 -23.5 30.7 10.3 181.2 75 94 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.917 110.8 46.3 -76.1 -42.5 34.0 11.1 179.4 76 95 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.887 109.6 54.8 -61.2 -39.1 32.8 14.6 178.7 77 96 A Q H X S+ 0 0 14 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.883 106.2 52.5 -66.5 -36.8 31.6 15.0 182.3 78 97 A R H X S+ 0 0 15 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.946 112.3 44.2 -56.0 -52.2 35.1 14.1 183.4 79 98 A Q H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.885 110.7 57.1 -60.6 -38.5 36.5 16.8 181.1 80 99 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.841 109.1 43.9 -63.6 -37.0 33.7 19.2 182.3 81 100 A L H >< S+ 0 0 23 -4,-1.8 3,-0.7 -3,-0.3 -1,-0.2 0.874 111.2 53.7 -76.1 -39.3 34.8 18.8 185.9 82 101 A L H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.925 104.7 54.6 -62.3 -43.7 38.5 19.1 185.2 83 102 A N T 3< S+ 0 0 14 -4,-2.6 139,-0.3 1,-0.3 -1,-0.2 0.657 98.1 66.9 -63.8 -16.2 37.9 22.5 183.3 84 103 A L T < + 0 0 10 -3,-0.7 2,-2.1 -4,-0.4 -1,-0.3 0.468 69.8 101.5 -79.0 -3.9 36.2 23.6 186.5 85 104 A K < + 0 0 40 -3,-2.2 2,-0.2 -4,-0.1 -1,-0.1 -0.577 62.0 160.6 -81.5 78.2 39.6 23.5 188.2 86 105 A Y + 0 0 22 -2,-2.1 2,-0.3 14,-0.1 14,-0.2 -0.480 11.7 63.3 -95.8 170.4 39.9 27.3 187.9 87 106 A G E S- B 0 99A 0 12,-2.8 12,-2.4 -2,-0.2 2,-0.4 -0.829 86.2 -25.8 123.4-153.6 42.0 30.0 189.6 88 107 A L E -AB 39 98A 0 -49,-2.6 -50,-3.2 -2,-0.3 -49,-1.1 -0.823 60.6-177.6-104.0 131.3 45.6 30.9 189.9 89 108 A F E -AB 37 97A 1 8,-3.0 8,-2.2 -2,-0.4 2,-0.5 -0.960 27.6-132.1-132.7 144.0 48.2 28.2 189.6 90 109 A E E + B 0 96A 85 -54,-2.8 6,-0.3 -2,-0.4 3,-0.1 -0.841 21.3 176.4 -86.3 131.0 52.0 27.7 189.8 91 110 A V E - 0 0 4 4,-3.2 2,-0.3 1,-0.5 5,-0.2 0.769 69.1 -32.1 -97.4 -43.9 53.3 25.7 186.8 92 111 A A E > S- B 0 95A 21 3,-1.6 3,-2.6 -56,-0.1 -1,-0.5 -0.902 98.9 -40.6-164.6 179.8 57.0 26.0 187.7 93 112 A E T 3 S- 0 0 159 1,-0.3 3,-0.1 -2,-0.3 17,-0.0 -0.354 130.9 -2.1 -62.7 122.8 59.2 28.6 189.4 94 113 A G T 3 S+ 0 0 7 1,-0.2 16,-3.2 -2,-0.1 2,-0.5 0.636 111.5 107.8 73.1 13.1 58.2 32.0 188.3 95 114 A I E < +BC 92 109A 0 -3,-2.6 -4,-3.2 14,-0.2 -3,-1.6 -0.974 41.0 164.2-128.6 119.6 55.5 30.6 185.9 96 115 A Y E -BC 90 108A 28 12,-2.7 12,-2.6 -2,-0.5 2,-0.3 -0.880 16.7-162.8-126.2 154.2 51.9 31.0 186.8 97 116 A Q E -BC 89 107A 0 -8,-2.2 -8,-3.0 -2,-0.3 2,-0.6 -0.995 15.7-144.3-134.1 146.6 48.6 30.6 184.9 98 117 A V E -BC 88 106A 0 8,-2.4 8,-2.0 -2,-0.3 2,-0.3 -0.966 30.6-172.8 -98.9 117.4 45.0 31.8 185.6 99 118 A R E +B 87 0A 8 -12,-2.4 -12,-2.8 -2,-0.6 6,-0.1 -0.830 57.6 24.9-108.2 151.6 42.8 29.0 184.3 100 119 A G S S+ 0 0 8 2,-0.4 -1,-0.2 -2,-0.3 -14,-0.1 0.664 82.7 107.5 71.6 18.9 39.0 29.0 184.0 101 120 A F S S- 0 0 3 3,-0.4 2,-0.3 -3,-0.2 4,-0.1 0.514 99.4 -16.5 -94.8 -5.6 38.6 32.8 183.8 102 121 A D S S- 0 0 1 2,-0.4 -2,-0.4 123,-0.1 120,-0.4 -0.895 94.8 -67.5-173.8-171.7 37.7 32.3 180.1 103 122 A L S S+ 0 0 3 -2,-0.3 2,-0.2 118,-0.2 121,-0.1 0.906 116.6 41.8 -64.4 -43.0 38.0 29.6 177.4 104 123 A A S S- 0 0 0 50,-0.3 -2,-0.4 221,-0.1 -3,-0.4 -0.448 86.9-109.4 -96.3 169.6 41.8 29.9 177.4 105 124 A N - 0 0 5 219,-2.5 2,-0.4 -2,-0.2 16,-0.4 -0.637 19.7-142.6 -90.1 156.2 44.5 30.3 180.0 106 125 A I E -C 98 0A 0 -8,-2.0 -8,-2.4 -2,-0.2 2,-0.5 -0.978 17.7-148.6-120.8 138.5 46.5 33.4 180.7 107 126 A T E -CD 97 118A 0 11,-2.3 11,-2.4 -2,-0.4 2,-0.5 -0.924 9.9-164.6-116.7 131.6 50.1 32.9 181.6 108 127 A F E -CD 96 117A 0 -12,-2.6 -12,-2.7 -2,-0.5 2,-0.5 -0.946 6.4-170.7-116.5 118.0 52.3 35.1 183.9 109 128 A I E -CD 95 116A 0 7,-3.3 7,-2.8 -2,-0.5 2,-0.5 -0.956 26.3-122.0-114.1 123.9 56.0 34.6 183.7 110 129 A R E - D 0 115A 142 -16,-3.2 5,-0.2 -2,-0.5 2,-0.2 -0.546 31.3-174.5 -70.2 113.7 58.1 36.4 186.3 111 130 A G - 0 0 3 3,-2.3 138,-0.2 -2,-0.5 137,-0.1 -0.512 42.5 -97.8 -93.2 172.2 60.7 38.7 184.8 112 131 A D S S+ 0 0 114 136,-2.9 137,-0.1 1,-0.2 3,-0.1 0.829 119.9 16.9 -57.4 -35.6 63.3 40.6 186.9 113 132 A S S S- 0 0 53 135,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.413 132.4 -21.8-123.2 -2.0 61.2 43.8 186.9 114 133 A G S S- 0 0 0 134,-0.2 -3,-2.3 27,-0.1 2,-0.3 -0.957 82.4 -51.0 178.5-168.9 57.6 42.8 185.9 115 134 A W E -De 110 143A 3 27,-2.7 29,-2.4 -2,-0.3 30,-1.4 -0.662 24.2-153.2 -89.8 142.7 55.5 40.2 184.1 116 135 A I E -De 109 145A 0 -7,-2.8 -7,-3.3 -2,-0.3 2,-0.5 -0.976 28.8-156.5-100.2 126.9 55.9 38.7 180.7 117 136 A V E -De 108 146A 0 28,-3.7 30,-3.2 -2,-0.5 2,-0.6 -0.936 11.1-153.9-110.5 126.2 52.3 37.7 179.9 118 137 A V E -De 107 147A 0 -11,-2.4 -11,-2.3 -2,-0.5 30,-0.2 -0.897 66.4 -18.7 -98.7 117.0 51.4 35.0 177.3 119 138 A D - 0 0 0 28,-3.4 -12,-0.2 -2,-0.6 37,-0.2 0.197 57.4-132.4 68.2 170.8 47.9 35.6 175.8 120 139 A T - 0 0 0 35,-2.1 7,-0.3 1,-0.3 41,-0.2 0.172 37.0-117.1-149.6 11.8 45.2 37.8 177.2 121 140 A L - 0 0 0 -16,-0.4 37,-1.8 33,-0.4 36,-0.4 -0.123 47.9 -62.9 68.4-164.7 41.9 35.8 177.1 122 141 A T S S+ 0 0 14 35,-0.3 108,-0.4 1,-0.2 -1,-0.2 0.743 111.9 18.0 -90.6 -26.1 38.8 36.8 175.0 123 142 A T S >> S- 0 0 1 -3,-0.2 4,-1.8 35,-0.1 3,-0.8 -0.975 78.0-110.0-152.5 147.4 37.8 40.1 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112.4 48.7 -59.3 -44.5 39.4 13.5 153.3 398 417 A N H X5S+ 0 0 55 -4,-2.5 4,-1.3 3,-0.2 -1,-0.2 0.861 107.5 57.0 -62.2 -39.3 37.6 16.8 152.3 399 418 A R H <5S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.9 28.1 -58.2 -43.9 41.0 18.6 152.4 400 419 A Y H <5S+ 0 0 102 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.829 139.6 19.1 -89.5 -33.7 42.5 16.2 149.8 401 420 A L H <5S- 0 0 112 -4,-3.1 3,-0.3 -5,-0.3 -3,-0.2 0.572 97.3-134.1-117.7 -18.6 39.4 15.1 147.8 402 421 A G << - 0 0 23 -4,-1.3 -1,-0.2 -5,-0.6 -39,-0.1 -0.305 40.8 -53.2 92.9-171.8 36.8 17.7 148.5 403 422 A Y S S+ 0 0 203 -5,-0.1 2,-0.5 -2,-0.1 -1,-0.2 0.665 103.2 92.4 -81.3 -18.4 33.1 17.4 149.4 404 423 A Y - 0 0 73 -3,-0.3 -41,-0.1 1,-0.1 7,-0.1 -0.671 65.1-148.4 -91.1 126.9 32.0 15.2 146.5 405 424 A D - 0 0 51 -2,-0.5 -1,-0.1 2,-0.2 -41,-0.1 0.376 40.4-113.5 -74.0 5.8 31.9 11.4 147.1 406 425 A G S S+ 0 0 51 1,-0.2 -1,-0.1 4,-0.1 5,-0.1 0.324 84.3 117.3 79.3 -11.3 32.8 10.5 143.5 407 426 A N > - 0 0 84 1,-0.1 3,-3.0 3,-0.0 -2,-0.2 -0.822 60.3-149.1 -91.6 107.5 29.3 8.9 143.0 408 427 A P G >> S+ 0 0 90 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.617 90.9 77.5 -57.0 -12.0 27.4 10.9 140.3 409 428 A A G 34 S+ 0 0 84 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.797 105.1 37.0 -59.2 -25.6 24.1 10.1 142.0 410 429 A T G <4 S+ 0 0 57 -3,-3.0 -1,-0.2 1,-0.1 -5,-0.1 0.282 93.0 94.9-109.5 8.2 25.2 12.8 144.4 411 430 A L T <4 S+ 0 0 108 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.899 97.4 23.0 -73.0 -40.2 26.8 15.1 141.8 412 431 A D S < S- 0 0 150 -4,-0.6 -1,-0.3 -3,-0.1 2,-0.2 -0.612 88.0-174.3-125.4 68.9 23.9 17.4 141.2 413 432 A P - 0 0 92 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.468 24.3-122.0 -79.7 136.4 21.8 17.1 144.3 414 433 A L - 0 0 101 -2,-0.2 5,-0.1 1,-0.1 -2,-0.0 -0.467 43.2 -94.4 -57.3 142.4 18.4 18.7 144.8 415 434 A S >> - 0 0 53 -2,-0.1 4,-1.7 1,-0.1 3,-1.3 -0.280 37.4-110.8 -55.3 147.1 18.2 21.0 147.8 416 435 A P H 3> S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.858 119.9 51.3 -53.0 -40.5 17.0 19.2 150.9 417 436 A E H 34 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.693 109.1 51.0 -73.3 -18.3 13.7 21.2 150.7 418 437 A D H <4 S+ 0 0 88 -3,-1.3 4,-0.3 2,-0.1 -1,-0.2 0.763 117.9 35.6 -91.1 -23.4 13.2 20.3 147.1 419 438 A S H X S+ 0 0 15 -4,-1.7 4,-2.1 -3,-0.1 3,-0.4 0.656 98.0 83.4 -94.3 -19.5 13.6 16.5 147.5 420 439 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 39,-0.2 0.856 84.6 56.3 -56.3 -39.9 12.0 16.3 150.9 421 440 A G H > S+ 0 0 43 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.906 110.1 45.7 -61.7 -40.7 8.4 16.1 149.6 422 441 A R H > S+ 0 0 131 -3,-0.4 4,-3.0 -4,-0.3 -1,-0.2 0.867 108.3 54.3 -71.0 -43.0 9.2 13.1 147.5 423 442 A Y H X S+ 0 0 98 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.967 113.3 46.3 -47.3 -52.3 11.1 11.3 150.3 424 443 A V H <>S+ 0 0 7 -4,-2.6 5,-2.8 1,-0.2 -2,-0.2 0.913 113.5 46.9 -61.9 -45.0 7.9 11.8 152.3 425 444 A E H ><5S+ 0 0 143 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.901 111.7 51.0 -62.0 -41.9 5.6 10.6 149.5 426 445 A Y H 3<5S+ 0 0 196 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.3 54.9 -68.2 -27.5 7.8 7.6 148.8 427 446 A M T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.250 129.0 -94.0 -90.5 9.2 7.7 6.6 152.5 428 447 A G T < 5S- 0 0 55 -3,-1.4 4,-0.3 -5,-0.1 -3,-0.2 0.548 74.2 -63.8 97.6 8.4 3.9 6.7 152.5 429 448 A G >< - 0 0 25 -5,-2.8 4,-2.9 -6,-0.2 5,-0.2 -0.201 69.5 -62.6 98.9 166.6 3.3 10.2 153.7 430 449 A A H > S+ 0 0 16 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.918 131.0 49.4 -54.6 -52.2 4.1 12.1 156.9 431 450 A E H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 114.6 44.8 -60.1 -39.8 2.0 9.9 159.2 432 451 A R H > S+ 0 0 107 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 112.6 51.1 -70.5 -41.7 3.4 6.8 157.8 433 452 A L H X S+ 0 0 3 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.959 111.4 48.9 -58.0 -49.8 7.0 8.2 158.0 434 453 A L H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 -1,-0.2 0.881 108.7 53.8 -57.0 -40.8 6.5 9.2 161.6 435 454 A E H X S+ 0 0 117 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.924 113.4 41.1 -60.5 -48.3 5.1 5.8 162.5 436 455 A Q H X S+ 0 0 83 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.932 115.4 52.0 -68.6 -42.6 8.1 4.0 161.1 437 456 A A H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 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-1,-0.2 0.869 114.1 40.3 -66.0 -34.3 21.5 8.4 163.9 448 467 A W H > S+ 0 0 111 -3,-0.5 4,-2.5 2,-0.2 3,-0.5 0.913 112.7 54.6 -70.6 -51.6 19.0 7.0 161.4 449 468 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.926 107.2 49.9 -52.5 -47.3 16.0 8.7 162.9 450 469 A V H X S+ 0 0 21 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.820 111.8 50.6 -66.2 -27.2 17.6 12.2 162.7 451 470 A E H X S+ 0 0 105 -4,-0.7 4,-0.7 -3,-0.5 -1,-0.2 0.942 118.3 34.7 -68.5 -51.9 18.4 11.5 159.0 452 471 A V H X S+ 0 0 7 -4,-2.5 4,-0.9 2,-0.2 3,-0.4 0.881 118.0 49.4 -79.4 -37.3 14.9 10.4 157.9 453 472 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 3,-0.3 0.851 101.2 65.3 -72.3 -30.6 12.8 12.7 160.1 454 473 A N H X S+ 0 0 49 -4,-0.8 4,-2.5 -5,-0.5 -1,-0.2 0.867 96.9 57.6 -52.7 -38.6 14.9 15.6 158.9 455 474 A R H X S+ 0 0 55 -4,-0.7 4,-1.6 -3,-0.4 -1,-0.2 0.903 107.8 45.5 -55.6 -45.4 13.4 14.9 155.5 456 475 A L H X S+ 0 0 0 -4,-0.9 4,-3.2 -3,-0.3 -2,-0.2 0.905 110.7 53.2 -70.8 -37.7 9.9 15.3 156.9 457 476 A V H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.7 46.9 -61.8 -42.3 10.9 18.5 158.7 458 477 A F H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.9 44.3 -69.5 -28.2 12.2 19.9 155.5 459 478 A A H < S+ 0 0 32 -4,-1.6 -2,-0.2 -39,-0.2 -1,-0.2 0.809 133.5 18.2 -75.0 -41.3 9.0 18.9 153.6 460 479 A E >< + 0 0 74 -4,-3.2 3,-2.3 -5,-0.1 -1,-0.2 -0.628 67.0 173.3-137.0 74.7 6.7 20.1 156.4 461 480 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.637 83.6 53.2 -65.2 -12.1 8.6 22.6 158.7 462 481 A D T 3 S+ 0 0 144 -5,-0.0 2,-1.1 4,-0.0 3,-0.1 0.471 75.3 115.7 -97.2 -2.4 5.4 23.4 160.6 463 482 A N <> - 0 0 28 -3,-2.3 4,-2.3 -7,-0.2 5,-0.2 -0.546 49.1-169.3 -67.5 99.9 4.7 19.7 161.2 464 483 A R H > S+ 0 0 169 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.844 81.7 54.9 -67.1 -36.0 5.0 19.9 165.1 465 484 A A H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 110.3 47.1 -61.4 -40.7 5.0 16.1 165.5 466 485 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.934 112.1 49.0 -66.5 -49.3 8.0 15.8 163.1 467 486 A R H X S+ 0 0 35 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.891 112.4 48.8 -56.4 -42.2 10.0 18.6 164.7 468 487 A E H X S+ 0 0 52 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.860 113.5 44.4 -72.5 -36.4 9.4 17.2 168.2 469 488 A L H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.932 114.8 49.5 -69.8 -45.6 10.5 13.6 167.3 470 489 A Q H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.964 113.2 48.0 -53.2 -53.6 13.5 15.0 165.3 471 490 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.893 109.7 52.3 -54.6 -45.3 14.3 17.1 168.4 472 491 A D H X S+ 0 0 30 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.2 44.6 -59.2 -43.0 14.0 14.1 170.7 473 492 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.908 113.1 50.7 -72.9 -40.8 16.4 11.9 168.7 474 493 A L H X S+ 0 0 15 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.901 108.5 53.8 -59.6 -41.8 18.9 14.7 168.3 475 494 A E H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.906 105.9 50.4 -63.3 -41.2 18.8 15.3 172.0 476 495 A Q H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.919 110.1 51.9 -62.3 -38.1 19.6 11.7 172.8 477 496 A L H X S+ 0 0 15 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.866 108.6 51.0 -64.0 -35.1 22.5 12.0 170.4 478 497 A G H < S+ 0 0 0 -4,-2.0 3,-0.4 2,-0.2 -405,-0.3 0.897 109.3 49.6 -63.6 -45.9 23.6 15.2 172.3 479 498 A Y H < S+ 0 0 0 -4,-2.4 -406,-0.6 1,-0.2 -2,-0.2 0.895 113.1 48.3 -58.8 -42.1 23.4 13.3 175.7 480 499 A Q H < S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.712 89.2 109.3 -69.6 -24.5 25.5 10.5 174.1 481 500 A A < - 0 0 10 -4,-1.0 -408,-0.5 -3,-0.4 -405,-0.1 -0.361 45.4-170.9 -70.0 126.4 28.1 12.9 172.6 482 501 A E S S+ 0 0 30 -2,-0.2 2,-0.4 -410,-0.1 -1,-0.2 0.783 71.8 85.3 -75.2 -28.3 31.6 12.9 174.0 483 502 A N S > S- 0 0 6 1,-0.1 4,-3.0 2,-0.0 -98,-0.2 -0.616 72.1-149.5 -83.5 127.6 32.4 16.0 171.9 484 503 A A H > S+ 0 0 0 -99,-2.4 4,-2.9 -2,-0.4 5,-0.2 0.894 98.7 48.5 -65.1 -40.4 31.3 19.3 173.5 485 504 A G H > S+ 0 0 5 -100,-0.7 4,-2.1 -99,-0.2 -1,-0.2 0.864 112.7 48.1 -66.2 -40.3 30.6 20.9 170.1 486 505 A W H > S+ 0 0 56 -101,-0.2 4,-3.2 2,-0.2 5,-0.2 0.954 113.3 48.0 -63.2 -52.2 28.6 17.9 168.9 487 506 A R H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.954 114.1 45.6 -48.4 -57.3 26.6 17.9 172.2 488 507 A N H X S+ 0 0 0 -4,-2.9 4,-2.1 -285,-0.3 -1,-0.2 0.873 114.3 50.6 -57.3 -41.9 25.9 21.7 172.0 489 508 A S H X S+ 0 0 27 -4,-2.1 4,-2.5 -286,-0.2 -2,-0.2 0.957 111.1 46.0 -60.8 -54.3 25.0 21.3 168.4 490 509 A Y H X S+ 0 0 53 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.902 116.2 45.7 -54.4 -49.1 22.5 18.4 168.9 491 510 A L H X S+ 0 0 5 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.815 112.9 50.4 -66.6 -33.0 20.9 20.2 171.9 492 511 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.861 110.0 50.0 -70.8 -39.8 20.7 23.5 170.1 493 512 A A H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.934 112.2 48.2 -62.7 -42.3 19.1 21.8 167.1 494 513 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.914 111.0 52.5 -64.7 -37.6 16.6 20.2 169.5 495 514 A Y H X S+ 0 0 84 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.919 111.2 44.6 -64.1 -44.9 16.0 23.6 171.1 496 515 A E H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.847 112.2 51.3 -73.3 -32.3 15.3 25.3 167.8 497 516 A L H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.854 117.5 39.9 -69.3 -37.2 13.0 22.6 166.5 498 517 A R H < S+ 0 0 16 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.884 135.6 17.2 -75.9 -39.7 11.0 22.7 169.7 499 518 A H H < S- 0 0 96 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.675 99.9-124.1-111.1 -20.5 11.0 26.5 170.2 500 519 A G < - 0 0 16 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.304 41.7 -57.9 92.2 172.5 11.9 28.1 166.8 501 520 A V S S- 0 0 24 -2,-0.1 123,-0.1 1,-0.1 121,-0.0 -0.613 71.6 -80.0 -82.6 149.6 14.7 30.5 166.1 502 521 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 120,-0.1 -0.277 38.0-169.3 -48.5 132.2 14.8 33.9 168.0 503 522 A R 0 0 235 1,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.531 360.0 360.0-106.0 -15.3 12.4 36.5 166.6 504 523 A D 0 0 183 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.127 360.0 360.0 -76.6 360.0 13.7 39.6 168.6 505 ! 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 0.0 506 530 A G 0 0 117 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.2 31.5 45.7 165.5 507 531 A S > - 0 0 30 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.747 360.0-155.6 -81.9 119.2 34.9 45.7 167.2 508 532 A A H > S+ 0 0 43 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.890 97.2 52.6 -52.1 -47.0 36.8 48.9 166.2 509 533 A D H > S+ 0 0 24 -280,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.919 109.6 48.4 -57.8 -41.9 40.1 47.0 167.0 510 534 A A H > S+ 0 0 17 -281,-0.3 4,-0.8 1,-0.2 3,-0.2 0.934 112.5 46.6 -69.3 -45.3 39.1 44.1 164.7 511 535 A L H >< S+ 0 0 21 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.922 110.3 54.2 -60.3 -44.2 38.2 46.4 161.8 512 536 A A H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.3 52.0 -56.5 -33.0 41.4 48.4 162.3 513 537 A A H 3< S+ 0 0 14 -4,-1.5 2,-0.4 -3,-0.2 -1,-0.3 0.637 88.5 103.9 -81.3 -16.9 43.4 45.1 162.1 514 538 A M S << S- 0 0 23 -3,-1.1 -331,-0.1 -4,-0.8 5,-0.0 -0.540 78.4-118.7 -71.5 121.9 41.6 44.2 158.8 515 539 A D > - 0 0 86 -2,-0.4 4,-2.4 -333,-0.1 5,-0.2 -0.269 21.7-122.4 -47.9 139.8 43.7 44.7 155.7 516 540 A T H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.856 111.7 53.4 -57.8 -40.4 42.1 47.3 153.3 517 541 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 110.0 47.9 -62.4 -44.0 42.0 44.7 150.4 518 542 A L H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.891 107.7 56.1 -62.0 -39.7 40.1 42.3 152.6 519 543 A L H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.937 112.1 41.5 -59.3 -47.3 37.8 45.0 153.7 520 544 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.795 109.6 58.5 -72.4 -27.3 36.8 45.7 150.1 521 545 A D H X S+ 0 0 73 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 108.5 47.6 -60.0 -44.7 36.7 42.0 149.5 522 546 A Y H X S+ 0 0 57 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.881 108.2 52.6 -66.6 -38.0 34.1 41.8 152.2 523 547 A L H X S+ 0 0 4 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.921 107.4 53.4 -61.9 -38.3 32.2 44.8 150.8 524 548 A G H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.864 106.8 52.2 -63.8 -34.7 32.2 42.8 147.5 525 549 A V H < S+ 0 0 65 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.870 108.6 51.1 -65.2 -32.4 30.7 39.9 149.4 526 550 A R H < S+ 0 0 53 -4,-1.9 91,-3.1 -5,-0.1 -2,-0.2 0.710 84.4 120.9 -75.3 -19.7 28.0 42.3 150.7 527 551 A L B < -P 616 0F 23 -4,-1.2 2,-0.7 89,-0.3 89,-0.2 -0.155 64.2-132.7 -50.7 128.6 27.2 43.5 147.2 528 552 A D > - 0 0 82 87,-3.1 4,-2.3 1,-0.2 5,-0.2 -0.783 11.3-154.9 -84.8 117.2 23.6 42.9 146.2 529 553 A A H > S+ 0 0 58 -2,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.806 92.3 55.4 -65.4 -32.1 23.8 41.3 142.7 530 554 A G H 4 S+ 0 0 57 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.923 111.7 43.4 -63.8 -48.5 20.3 42.6 141.8 531 555 A A H 4 S+ 0 0 40 1,-0.2 -2,-0.2 84,-0.2 -1,-0.2 0.827 115.1 50.1 -64.5 -36.8 21.3 46.2 142.6 532 556 A A H >< S+ 0 0 0 -4,-2.3 3,-2.3 83,-0.2 25,-0.5 0.707 81.1 121.2 -77.1 -19.0 24.6 45.9 140.8 533 557 A E T 3< S+ 0 0 145 -4,-1.1 3,-0.1 -3,-0.4 -3,-0.0 -0.172 83.5 4.0 -60.4 133.2 23.3 44.4 137.6 534 558 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.446 103.5 123.2 77.8 1.3 24.1 46.4 134.5 535 559 A K < - 0 0 107 -3,-2.3 22,-0.4 2,-0.0 21,-0.4 -0.632 35.7-178.8 -97.2 155.4 26.2 48.9 136.5 536 560 A A + 0 0 69 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.974 13.9 148.9-150.4 130.9 29.8 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556 580 A N T 3 S- 0 0 145 -21,-0.4 -23,-0.1 -2,-0.3 -20,-0.1 0.843 129.3 -58.7 51.8 40.8 29.5 42.4 135.6 557 581 A S T 3 S+ 0 0 41 -25,-0.5 2,-0.3 -22,-0.4 -1,-0.3 0.801 117.4 108.2 62.5 35.8 27.8 42.4 139.1 558 582 A H E < -S 555 0G 102 -3,-1.1 -3,-2.2 -26,-0.1 2,-0.6 -0.989 62.0-140.8-145.9 130.5 31.2 42.1 140.8 559 583 A L E -S 554 0G 8 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.827 23.1-171.5 -95.0 122.3 33.2 44.5 142.9 560 584 A N E -S 553 0G 61 -7,-2.9 -7,-2.4 -2,-0.6 2,-0.4 -0.820 6.1-171.7-105.6 146.7 37.0 44.3 142.3 561 585 A N E -S 552 0G 26 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.993 2.5-166.9-135.8 143.8 39.7 46.0 144.2 562 586 A L E > -S 551 0G 88 -11,-1.8 -11,-2.3 -2,-0.4 3,-0.8 -0.986 18.3-132.8-129.4 120.0 43.4 46.2 143.3 563 587 A R E 3 S+S 550 0G 161 -2,-0.4 -13,-0.2 1,-0.2 3,-0.1 -0.438 85.8 12.3 -69.8 145.0 46.0 47.3 145.7 564 588 A G T 3 S+ 0 0 60 -15,-2.7 2,-0.4 1,-0.2 -1,-0.2 0.700 100.7 112.7 66.1 26.5 48.6 49.9 144.4 565 589 A V < - 0 0 54 -3,-0.8 2,-0.3 -16,-0.5 -1,-0.2 -0.976 39.0-178.5-132.6 139.9 46.8 50.8 141.2 566 590 A Q - 0 0 56 -2,-0.4 2,-0.4 -26,-0.1 -15,-0.1 -0.945 16.1-143.6-129.8 153.9 45.1 53.9 140.1 567 591 A S > - 0 0 34 -2,-0.3 3,-1.5 1,-0.1 -27,-0.1 -0.982 13.2-150.6-124.5 131.4 43.3 54.5 136.8 568 592 A E T 3 S+ 0 0 194 -2,-0.4 -1,-0.1 1,-0.3 -28,-0.0 0.677 103.5 55.3 -66.7 -15.4 43.3 57.7 134.8 569 593 A D T 3 S+ 0 0 143 -3,-0.0 -1,-0.3 -30,-0.0 -31,-0.1 0.363 74.8 128.4-101.4 5.8 39.8 56.6 133.7 570 594 A A < - 0 0 18 -3,-1.5 -31,-0.2 1,-0.1 3,-0.1 -0.378 59.0-138.2 -58.0 136.8 38.2 56.2 137.2 571 595 A G S S+ 0 0 30 -33,-1.4 34,-2.8 1,-0.2 2,-0.3 0.716 85.0 17.2 -66.5 -24.8 34.9 58.1 137.4 572 596 A Q E -rT 539 604G 6 -34,-1.0 -32,-2.5 32,-0.3 2,-0.4 -0.990 61.3-152.4-151.3 145.3 35.9 59.3 140.9 573 597 A T E -rT 540 603G 35 30,-2.4 30,-1.8 -2,-0.3 2,-0.4 -0.999 18.4-169.2-122.3 125.4 39.0 59.7 143.1 574 598 A V E -rT 541 602G 1 -34,-3.3 -32,-3.4 -2,-0.4 2,-0.5 -0.953 6.6-166.6-118.9 131.9 38.4 59.5 146.9 575 599 A S E +rT 542 601G 37 26,-2.3 26,-3.2 -2,-0.4 2,-0.3 -0.986 25.8 142.9-121.5 127.3 41.0 60.4 149.4 576 600 A I E - T 0 600G 5 -34,-2.7 24,-0.2 -2,-0.5 2,-0.1 -0.941 51.1-105.1-163.1 138.0 40.3 59.4 153.0 577 601 A D > - 0 0 57 22,-0.6 4,-2.5 -2,-0.3 5,-0.2 -0.423 27.9-126.5 -66.3 144.8 42.4 58.1 155.9 578 602 A R H > S+ 0 0 13 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.954 113.0 58.6 -54.0 -45.3 41.9 54.4 156.6 579 603 A A H > S+ 0 0 54 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.864 109.8 43.8 -51.4 -39.3 41.2 55.4 160.2 580 604 A D H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.818 108.8 54.2 -79.2 -35.9 38.4 57.6 158.9 581 605 A L H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.930 108.4 53.6 -57.1 -43.4 37.0 55.0 156.5 582 606 A N H X S+ 0 0 17 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.925 107.2 48.9 -58.0 -50.7 36.9 52.7 159.6 583 607 A R H <>S+ 0 0 69 -4,-1.7 5,-2.6 1,-0.2 6,-0.6 0.907 109.8 53.8 -51.8 -46.1 34.9 55.2 161.6 584 608 A L H ><5S+ 0 0 23 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.901 110.4 44.5 -56.6 -46.7 32.5 55.5 158.6 585 609 A L H 3<5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.669 112.5 52.5 -76.3 -18.6 31.9 51.8 158.3 586 610 A L T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.360 113.2-122.0 -91.8 1.4 31.4 51.6 162.0 587 611 A K T < 5S+ 0 0 179 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.745 77.2 126.0 61.0 27.0 28.9 54.4 161.9 588 612 A E S - 0 0 51 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.647 21.8-124.6 -93.7 151.9 28.9 60.5 158.7 591 615 A A H > S+ 0 0 45 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.936 113.4 54.4 -57.9 -43.6 30.3 60.8 155.2 592 616 A V H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 107.6 48.4 -54.8 -50.2 29.0 64.5 155.2 593 617 A R H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 109.1 53.7 -59.9 -42.5 30.9 65.4 158.4 594 618 A L H <>S+ 0 0 0 -4,-2.0 5,-3.3 2,-0.2 6,-1.3 0.908 108.6 49.2 -59.4 -44.7 34.1 63.8 157.1 595 619 A V H ><5S+ 0 0 80 -4,-2.2 3,-1.4 4,-0.3 -2,-0.2 0.938 111.6 49.5 -59.3 -43.7 33.9 65.9 154.0 596 620 A F H 3<5S+ 0 0 174 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.827 107.9 53.5 -66.4 -33.1 33.3 69.1 156.1 597 621 A E T 3<5S- 0 0 92 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.415 117.9-111.3 -79.3 1.1 36.3 68.3 158.3 598 622 A G T < 5S+ 0 0 40 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.789 91.9 111.5 68.6 30.8 38.6 68.0 155.2 599 623 A K < + 0 0 84 -5,-3.3 -22,-0.6 1,-0.3 2,-0.5 0.643 68.1 48.9-109.8 -24.7 38.9 64.2 155.9 600 624 A L E S-T 576 0G 16 -6,-1.3 2,-0.3 -24,-0.2 -1,-0.3 -0.965 74.2-178.4-118.4 110.3 36.9 62.8 152.9 601 625 A K E -T 575 0G 124 -26,-3.2 -26,-2.3 -2,-0.5 2,-0.3 -0.807 0.9-176.5-109.3 148.5 38.1 64.4 149.6 602 626 A S E +T 574 0G 62 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.997 15.7 178.0-144.5 146.7 36.8 63.8 146.1 603 627 A S E +T 573 0G 70 -30,-1.8 -30,-2.4 -2,-0.3 2,-0.2 -0.923 61.1 28.6-134.1 167.1 37.2 64.6 142.4 604 628 A G E S-T 572 0G 59 -2,-0.3 -32,-0.3 -32,-0.2 -33,-0.1 -0.516 122.5 -2.8 83.8-158.2 35.4 63.3 139.4 605 629 A N > - 0 0 69 -34,-2.8 3,-1.0 -2,-0.2 4,-0.3 -0.553 66.8-158.3 -61.8 112.2 31.8 62.3 139.8 606 630 A P T 3 S+ 0 0 90 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.592 81.6 65.9 -75.8 -4.4 31.2 62.7 143.5 607 631 A L T 3> S+ 0 0 112 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.589 75.4 82.7 -90.4 -14.0 28.3 60.3 143.5 608 632 A L H <> S+ 0 0 17 -3,-1.0 4,-3.2 1,-0.2 5,-0.2 0.933 88.4 49.9 -68.3 -46.9 29.9 57.0 142.6 609 633 A L H > S+ 0 0 18 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.902 113.5 48.5 -57.6 -42.3 31.2 55.9 146.1 610 634 A G H > S+ 0 0 47 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.912 111.3 49.7 -61.7 -45.1 27.7 56.6 147.5 611 635 A Q H X S+ 0 0 86 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.925 111.6 48.8 -58.2 -48.3 26.1 54.6 144.6 612 636 A L H >< S+ 0 0 2 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.955 111.7 49.1 -57.1 -53.1 28.5 51.7 145.3 613 637 A F H >< S+ 0 0 53 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.870 105.7 58.0 -52.8 -39.6 27.7 51.8 149.1 614 638 A G H 3< S+ 0 0 69 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.584 98.8 60.2 -71.1 -8.6 24.0 51.8 148.3 615 639 A M T << S+ 0 0 12 -3,-1.6 -87,-3.1 -4,-0.5 2,-0.5 0.425 82.9 106.6 -90.1 -4.2 24.4 48.5 146.4 616 640 A L B < -P 527 0F 22 -3,-1.7 -89,-0.3 -89,-0.2 2,-0.1 -0.676 55.9-158.6 -86.8 125.2 25.6 46.8 149.6 617 641 A G - 0 0 20 -91,-3.1 2,-0.3 -2,-0.5 -2,-0.1 -0.331 7.1-130.2 -90.6 178.1 23.3 44.4 151.3 618 642 A D - 0 0 132 -2,-0.1 2,-0.4 -91,-0.0 -1,-0.1 -0.766 12.1-126.0-120.3 171.0 23.2 43.1 154.8 619 643 A F - 0 0 95 -2,-0.3 2,-0.3 4,-0.0 -93,-0.0 -0.973 14.6-134.5-120.1 129.0 22.9 39.7 156.4 620 644 A D - 0 0 143 -2,-0.4 3,-0.4 1,-0.1 0, 0.0 -0.663 15.3-147.8 -76.0 137.3 20.4 38.6 159.0 621 645 A F S S+ 0 0 51 -2,-0.3 2,-2.1 1,-0.2 -1,-0.1 0.949 84.1 60.4 -71.0 -52.8 22.0 36.7 161.8 622 646 A W S S+ 0 0 90 -120,-0.1 -1,-0.2 -121,-0.0 -121,-0.1 -0.222 70.6 162.3 -83.9 54.4 19.4 34.2 162.8 623 647 A F - 0 0 69 -2,-2.1 2,-0.2 -3,-0.4 -2,-0.0 -0.268 46.8 -93.1 -66.4 155.6 19.0 32.4 159.6 624 648 A D + 0 0 49 1,-0.1 5,-0.1 -123,-0.1 -1,-0.1 -0.493 46.6 164.3 -69.0 142.3 17.3 28.9 159.7 625 649 A I S S+ 0 0 53 -2,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.672 73.9 40.8-119.9 -51.6 19.5 25.8 160.0 626 650 A V S S+ 0 0 20 2,-0.1 -2,-0.1 -133,-0.1 -169,-0.0 0.405 121.8 34.1 -92.3 5.9 17.3 22.9 161.0 627 651 A T S S- 0 0 14 -169,-0.0 -169,-0.1 -168,-0.0 3,-0.1 -0.931 99.4 -86.9-141.3 167.5 14.4 23.8 158.7 628 652 A P S S- 0 0 21 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.357 70.8 -65.1 -69.9 162.0 14.3 25.4 155.3 629 653 A A 0 0 94 -5,-0.1 -6,-0.1 1,-0.1 -4,-0.0 -0.137 360.0 360.0 -53.7 140.3 14.3 29.2 155.2 630 654 A A 0 0 132 -3,-0.1 -1,-0.1 -169,-0.0 -6,-0.0 -0.109 360.0 360.0 -66.6 360.0 11.2 30.9 156.7