==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-APR-12 4ES6 . COMPND 2 MOLECULE: UROPORPHYRINOGEN-III SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.SCHNELL,G.SCHNEIDER . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 3 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 3 A G 0 0 110 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-165.4 40.3 23.7 38.7 2 4 A W - 0 0 46 179,-0.1 24,-1.1 180,-0.0 2,-0.5 -0.591 360.0-172.6 -77.6 133.4 40.8 23.4 35.0 3 5 A R E -a 26 0A 84 -2,-0.3 179,-2.4 22,-0.1 180,-1.3 -0.939 21.0-163.8-129.0 107.1 42.1 20.0 33.6 4 6 A L E -ab 27 183A 0 22,-2.2 24,-3.1 -2,-0.5 2,-0.6 -0.718 25.6-143.3-110.1 138.1 42.8 20.4 30.0 5 7 A L E -ab 28 184A 0 178,-2.8 180,-2.8 -2,-0.3 2,-0.4 -0.846 22.2-157.7 -85.1 123.0 43.4 18.2 26.9 6 8 A L E +a 29 0A 0 22,-2.7 24,-3.3 -2,-0.6 180,-0.1 -0.854 16.6 175.2-100.6 139.3 46.1 19.8 24.6 7 9 A T + 0 0 3 178,-0.5 25,-3.4 -2,-0.4 26,-0.4 0.438 36.7 119.3-127.6 -9.6 46.0 18.7 21.0 8 10 A R S S- 0 0 23 23,-0.2 5,-0.1 1,-0.1 25,-0.1 -0.080 79.3 -71.0 -44.4 153.1 48.7 20.9 19.4 9 11 A P >> - 0 0 12 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.218 56.8 -98.9 -54.4 146.6 51.8 19.3 17.7 10 12 A D H 3> S+ 0 0 122 23,-0.5 4,-1.9 1,-0.2 5,-0.2 0.730 118.2 47.0 -37.6 -51.7 54.3 17.6 20.1 11 13 A E H 3> S+ 0 0 134 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 117.5 41.5 -64.3 -46.4 56.9 20.5 20.3 12 14 A E H <> S+ 0 0 36 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.802 110.7 60.9 -70.2 -29.2 54.3 23.3 20.9 13 15 A C H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 102.1 49.2 -63.6 -45.6 52.4 21.0 23.2 14 16 A A H X S+ 0 0 63 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.874 111.0 50.1 -65.8 -38.5 55.3 20.6 25.7 15 17 A A H X S+ 0 0 49 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.893 113.4 45.9 -67.6 -39.9 55.9 24.4 25.9 16 18 A L H X S+ 0 0 9 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.923 110.3 53.2 -67.4 -42.9 52.2 25.0 26.5 17 19 A A H X S+ 0 0 25 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.901 110.2 48.9 -56.7 -43.9 52.0 22.2 29.2 18 20 A A H X S+ 0 0 51 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.936 111.6 47.8 -63.3 -50.1 54.9 23.8 31.0 19 21 A S H X S+ 0 0 51 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.921 114.6 46.9 -56.0 -46.1 53.4 27.3 30.9 20 22 A L H <>S+ 0 0 0 -4,-2.8 5,-3.6 2,-0.2 -2,-0.2 0.875 112.1 50.1 -64.3 -39.4 50.1 26.0 32.1 21 23 A G H ><5S+ 0 0 45 -4,-2.5 3,-1.9 3,-0.2 -2,-0.2 0.929 107.5 53.8 -64.9 -44.7 51.8 24.0 34.9 22 24 A E H 3<5S+ 0 0 167 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.7 48.4 -56.7 -34.4 53.7 27.1 36.0 23 25 A A T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.404 124.1-108.8 -84.3 -0.0 50.3 28.8 36.2 24 26 A G T < 5S+ 0 0 68 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.734 73.9 136.7 79.4 24.0 49.0 25.8 38.2 25 27 A V < - 0 0 22 -5,-3.6 -1,-0.3 -6,-0.1 2,-0.2 -0.914 49.0-134.5-103.3 127.7 46.7 24.5 35.5 26 28 A H E +a 3 0A 71 -24,-1.1 -22,-2.2 -2,-0.5 2,-0.3 -0.514 30.7 173.1 -76.2 144.3 46.7 20.7 35.0 27 29 A S E -a 4 0A 23 -24,-0.2 2,-0.4 -2,-0.2 -22,-0.2 -0.996 26.6-149.6-149.7 154.5 46.9 19.3 31.4 28 30 A S E -a 5 0A 11 -24,-3.1 -22,-2.7 -2,-0.3 2,-0.6 -0.994 24.0-134.8-122.0 133.7 47.3 16.1 29.4 29 31 A S E +a 6 0A 42 -2,-0.4 -22,-0.2 -24,-0.2 -24,-0.1 -0.788 32.2 160.2 -97.2 120.9 48.9 16.2 26.0 30 32 A L - 0 0 0 -24,-3.3 -1,-0.0 -2,-0.6 -2,-0.0 -0.705 27.9-151.1-132.2 81.7 47.5 14.4 23.1 31 33 A P - 0 0 15 0, 0.0 -23,-0.2 0, 0.0 -24,-0.1 -0.280 8.6-167.8 -55.4 129.3 48.9 15.8 19.8 32 34 A L S S+ 0 0 5 -25,-3.4 2,-0.3 1,-0.1 -24,-0.1 0.447 72.8 41.6 -98.9 -2.5 46.4 15.4 17.0 33 35 A L - 0 0 7 -26,-0.4 -23,-0.5 131,-0.2 2,-0.4 -0.990 67.4-156.3-139.2 143.0 48.8 16.3 14.3 34 36 A A E -E 163 0B 19 129,-2.9 129,-2.0 -2,-0.3 2,-0.7 -0.924 20.9-126.0-117.0 149.8 52.4 15.3 13.8 35 37 A I E -E 162 0B 31 -2,-0.4 127,-0.2 127,-0.2 -2,-0.0 -0.856 22.2-171.9-102.1 112.8 54.8 17.4 11.8 36 38 A D E -E 161 0B 45 125,-2.7 125,-2.1 -2,-0.7 -2,-0.0 -0.893 24.4-130.0-105.6 103.2 56.6 15.4 9.0 37 39 A P E -E 160 0B 77 0, 0.0 123,-0.3 0, 0.0 2,-0.3 -0.185 25.1-124.3 -50.5 137.7 59.4 17.5 7.4 38 40 A L - 0 0 23 121,-2.7 2,-0.5 1,-0.0 98,-0.0 -0.640 16.1-115.1 -86.8 144.8 59.2 17.6 3.6 39 41 A E - 0 0 181 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.707 40.2-115.3 -76.1 121.7 62.0 16.5 1.3 40 42 A E - 0 0 45 -2,-0.5 -1,-0.1 4,-0.1 119,-0.1 -0.435 30.1-148.7 -63.9 124.1 63.0 19.7 -0.6 41 43 A T > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.456 26.9-106.7 -86.2 166.3 62.3 19.4 -4.3 42 44 A P H > S+ 0 0 82 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.882 122.0 51.6 -59.2 -37.5 64.3 21.1 -7.1 43 45 A E H > S+ 0 0 131 1,-0.2 4,-1.4 2,-0.2 -3,-0.0 0.889 111.0 48.0 -68.2 -37.6 61.5 23.6 -7.7 44 46 A Q H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.883 108.3 53.5 -67.6 -40.9 61.3 24.4 -4.0 45 47 A R H X S+ 0 0 125 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.910 104.5 56.8 -61.5 -41.0 65.1 24.9 -3.7 46 48 A T H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.893 102.8 54.0 -54.6 -46.4 64.8 27.4 -6.7 47 49 A L H < S+ 0 0 40 -4,-1.4 -1,-0.2 1,-0.2 6,-0.2 0.874 111.1 46.8 -53.3 -41.6 62.3 29.5 -4.7 48 50 A M H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.2 -2,-0.2 0.864 110.0 50.9 -71.8 -38.0 64.8 29.6 -1.8 49 51 A L H 3< S+ 0 0 81 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.804 115.9 43.9 -68.1 -29.7 67.7 30.5 -4.1 50 52 A D T >< S+ 0 0 74 -4,-2.2 3,-2.1 -5,-0.2 4,-0.3 -0.009 77.0 125.3 -99.7 28.9 65.5 33.3 -5.5 51 53 A L G X + 0 0 0 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.805 61.7 68.9 -55.8 -33.0 64.3 34.2 -1.9 52 54 A D G 3 S+ 0 0 91 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.488 82.8 73.1 -68.7 -5.8 65.4 37.9 -2.6 53 55 A R G < S+ 0 0 116 -3,-2.1 2,-0.3 -6,-0.2 77,-0.3 0.747 82.1 86.9 -76.8 -23.1 62.6 38.3 -5.1 54 56 A Y < - 0 0 4 -3,-1.6 77,-0.2 -4,-0.3 3,-0.1 -0.629 60.6-161.5 -86.5 131.8 60.0 38.4 -2.3 55 57 A C S S+ 0 0 19 75,-2.3 28,-2.2 -2,-0.3 2,-0.3 0.719 83.4 17.1 -78.4 -24.7 59.2 41.7 -0.5 56 58 A A E -fg 83 131C 0 74,-0.9 76,-2.2 26,-0.2 2,-0.4 -0.992 62.4-155.5-147.1 147.2 57.8 39.8 2.4 57 59 A V E -fg 84 132C 0 26,-2.2 28,-2.8 -2,-0.3 2,-0.5 -0.996 15.2-154.8-121.1 128.6 57.9 36.2 3.7 58 60 A V E -fg 85 133C 4 74,-3.0 76,-3.1 -2,-0.4 2,-0.5 -0.923 3.3-162.5-109.6 125.3 55.0 35.0 5.8 59 61 A V E -fg 86 134C 0 26,-2.6 28,-0.6 -2,-0.5 76,-0.2 -0.938 3.9-171.0-107.2 121.7 55.6 32.3 8.3 60 62 A V + 0 0 57 74,-1.9 2,-0.3 -2,-0.5 75,-0.1 0.549 60.3 14.4 -94.4 -10.1 52.2 30.8 9.4 61 63 A S S > S- 0 0 22 73,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.979 75.8-102.1-159.5 160.8 53.2 28.5 12.2 62 64 A K H > S+ 0 0 60 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.885 121.0 49.9 -59.6 -42.7 56.0 27.6 14.7 63 65 A P H > S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.858 108.9 53.7 -66.4 -31.4 57.0 24.5 12.7 64 66 A A H > S+ 0 0 0 2,-0.2 4,-1.7 3,-0.2 -2,-0.2 0.797 109.9 47.7 -67.1 -33.1 57.2 26.6 9.5 65 67 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 3,-0.2 5,-0.2 0.945 114.8 45.1 -71.4 -49.4 59.5 29.0 11.3 66 68 A R H X S+ 0 0 74 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.963 121.7 36.9 -57.2 -54.0 61.7 26.2 12.6 67 69 A L H X S+ 0 0 10 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.874 116.3 54.2 -71.2 -34.9 61.9 24.4 9.2 68 70 A G H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.847 104.9 54.0 -65.4 -36.4 61.9 27.6 7.2 69 71 A L H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.844 102.5 58.8 -67.4 -32.5 64.9 28.9 9.2 70 72 A E H X S+ 0 0 93 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.930 110.1 41.9 -59.6 -46.3 66.8 25.7 8.3 71 73 A R H X S+ 0 0 12 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.847 113.2 52.7 -71.5 -34.7 66.4 26.4 4.6 72 74 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.943 113.3 43.9 -60.3 -49.0 67.2 30.1 5.1 73 75 A D H < S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.0 55.1 -65.4 -40.1 70.4 29.2 7.0 74 76 A R H < S+ 0 0 132 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.898 122.8 23.7 -57.3 -44.4 71.2 26.5 4.4 75 77 A Y H < S+ 0 0 56 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.493 116.9 60.0-109.0 -2.0 71.0 28.9 1.4 76 78 A W < + 0 0 52 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.0 -0.780 40.7 177.3-137.8 90.9 71.7 32.3 2.8 77 79 A P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.885 97.1 25.2 -48.6 -42.5 75.0 33.2 4.7 78 80 A Q S S- 0 0 139 -3,-0.1 -5,-0.0 0, 0.0 0, 0.0 -0.974 96.8-124.3-126.6 115.0 73.4 36.7 4.8 79 81 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.257 33.9-110.0 -54.9 138.5 69.6 36.9 4.7 80 82 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -4,-0.0 -0.225 38.7 -88.2 -67.0 163.3 68.3 39.1 1.9 81 83 A Q S S+ 0 0 189 -29,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.656 79.2 116.0 -73.4 110.6 66.7 42.5 2.6 82 84 A Q - 0 0 27 -2,-0.7 2,-0.5 -3,-0.1 -26,-0.2 -0.963 66.9 -91.0-165.4 167.0 63.0 41.7 3.0 83 85 A T E -f 56 0C 43 -28,-2.2 -26,-2.2 -2,-0.3 2,-0.4 -0.799 31.3-151.6 -94.6 122.1 60.2 41.9 5.6 84 86 A W E -fh 57 102C 7 17,-0.8 19,-3.5 -2,-0.5 2,-0.3 -0.808 19.8-169.4 -91.5 134.3 59.6 38.8 7.7 85 87 A C E +fh 58 103C 0 -28,-2.8 -26,-2.6 -2,-0.4 2,-0.3 -0.906 14.1 177.4-131.3 153.0 56.1 38.4 9.0 86 88 A S E -f 59 0C 0 17,-2.1 -26,-0.1 -2,-0.3 22,-0.1 -0.932 31.8-132.5-146.9 158.5 54.2 36.2 11.4 87 89 A V S S+ 0 0 31 -28,-0.6 23,-0.3 -2,-0.3 2,-0.3 0.777 88.8 25.0 -84.6 -31.3 50.6 36.0 12.6 88 90 A G S > S- 0 0 15 21,-0.1 4,-1.6 16,-0.1 20,-0.1 -0.792 76.7-113.2-131.0 173.2 51.5 35.8 16.3 89 91 A A H > S+ 0 0 58 -2,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.836 111.7 58.7 -71.3 -35.4 54.2 36.8 18.8 90 92 A A H > S+ 0 0 44 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.822 109.3 42.4 -70.2 -34.3 55.2 33.2 19.5 91 93 A T H >> S+ 0 0 12 2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.888 112.0 56.7 -74.1 -43.2 56.0 32.4 15.9 92 94 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.857 99.7 59.4 -53.2 -40.6 57.8 35.7 15.6 93 95 A A H 3X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.812 99.2 55.7 -67.9 -32.2 60.1 34.9 18.6 94 96 A I H S+ 0 0 1 -4,-1.2 5,-1.9 2,-0.2 4,-0.5 0.887 113.3 53.1 -71.7 -40.3 62.5 34.1 13.9 96 98 A E H ><5S+ 0 0 82 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.847 101.9 58.7 -62.5 -37.9 63.7 36.8 16.3 97 99 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 102.6 54.9 -61.8 -30.9 66.0 34.3 18.1 98 100 A Y H 3<5S- 0 0 81 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.672 128.9-101.6 -73.0 -19.7 67.6 33.8 14.7 99 101 A G T <<5S+ 0 0 59 -3,-1.0 2,-0.2 -4,-0.5 -3,-0.2 0.505 76.0 136.7 110.2 7.8 68.2 37.6 14.6 100 102 A L < - 0 0 20 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.610 54.6-126.8 -86.4 145.3 65.4 38.6 12.2 101 103 A D - 0 0 152 -2,-0.2 -17,-0.8 2,-0.0 2,-0.4 -0.797 34.7-156.3 -81.9 129.7 63.2 41.7 12.6 102 104 A V E -h 84 0C 19 -2,-0.5 2,-0.5 -19,-0.1 -17,-0.2 -0.929 14.3-146.8-119.7 136.8 59.6 40.4 12.4 103 105 A T E +h 85 0C 30 -19,-3.5 -17,-2.1 -2,-0.4 14,-0.0 -0.882 38.9 142.3 -97.5 124.5 56.4 42.1 11.5 104 106 A Y - 0 0 49 -2,-0.5 -17,-0.2 -19,-0.2 2,-0.1 -0.984 48.6-102.6-158.2 153.9 53.4 40.8 13.4 105 107 A P - 0 0 9 0, 0.0 9,-0.1 0, 0.0 -16,-0.1 -0.474 20.7-137.3 -78.7 155.9 50.1 42.0 15.0 106 108 A E S S+ 0 0 161 -2,-0.1 -17,-0.2 7,-0.1 -19,-0.0 0.871 105.8 39.2 -79.2 -40.3 49.8 42.4 18.8 107 109 A Q S S+ 0 0 148 6,-0.1 -18,-0.1 -19,-0.1 -1,-0.1 0.978 88.2 162.9 -73.5 -60.3 46.3 40.9 19.0 108 110 A G + 0 0 12 1,-0.1 128,-0.4 127,-0.1 -19,-0.2 0.823 16.4 141.1 56.6 68.0 47.2 38.3 16.4 109 111 A D + 0 0 47 1,-0.2 2,-0.3 126,-0.2 126,-0.1 0.519 70.0 2.9-107.3 -11.0 44.8 35.3 16.3 110 112 A D S >> S- 0 0 14 -23,-0.3 4,-1.1 1,-0.0 3,-0.6 -0.957 83.3 -80.5-169.7 164.4 44.6 34.8 12.5 111 113 A S H 3> S+ 0 0 23 -2,-0.3 4,-3.0 1,-0.2 3,-0.2 0.822 118.7 63.4 -51.2 -39.2 45.7 35.8 8.9 112 114 A E H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 97.6 54.6 -56.3 -44.5 43.2 38.7 9.0 113 115 A A H <4 S+ 0 0 23 -3,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.863 113.4 41.8 -60.0 -39.1 45.1 40.4 11.8 114 116 A L H >< S+ 0 0 2 -4,-1.1 3,-1.1 2,-0.2 6,-0.2 0.930 112.4 54.5 -71.5 -44.0 48.3 40.3 9.8 115 117 A L H 3< S+ 0 0 19 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.862 111.3 44.9 -58.9 -37.6 46.6 41.2 6.6 116 118 A A T 3< S+ 0 0 79 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.560 84.7 116.7 -84.6 -10.3 45.1 44.4 8.2 117 119 A L X> - 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0 0 57 -2,-0.3 -131,-0.2 -131,-0.2 -132,-0.1 -0.680 39.8-125.0 -75.2 121.9 47.3 12.2 12.5 165 167 A P - 0 0 27 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.263 25.7-110.7 -61.7 156.1 49.6 10.2 14.9 166 168 A D - 0 0 158 3,-0.0 3,-0.0 0, 0.0 0, 0.0 -0.837 42.1-179.4 -94.0 118.5 48.6 6.6 15.4 167 169 A Y - 0 0 69 -2,-0.7 3,-0.1 1,-0.1 5,-0.0 -0.843 36.8 -91.9-112.4 152.5 47.3 6.0 18.9 168 170 A P > - 0 0 92 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.282 66.5 -76.9 -52.5 150.3 46.1 2.8 20.5 169 171 A A T 3 S+ 0 0 109 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.243 117.1 13.1 -54.0 134.5 42.3 2.4 20.1 170 172 A G T 3> S+ 0 0 53 28,-0.1 4,-2.9 -3,-0.1 5,-0.3 0.501 79.8 138.7 77.1 7.0 40.2 4.6 22.4 171 173 A E H <> + 0 0 54 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.870 69.6 49.8 -50.2 -45.4 43.2 6.8 23.5 172 174 A L H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 115.5 40.5 -62.7 -52.3 41.2 10.1 23.4 173 175 A L H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 113.9 54.5 -65.1 -41.4 38.2 8.9 25.4 174 176 A A H X S+ 0 0 55 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.879 109.6 48.3 -57.4 -41.8 40.5 7.0 27.8 175 177 A R H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.3 6,-0.3 0.947 111.0 48.4 -65.7 -49.6 42.4 10.3 28.4 176 178 A V H <>S+ 0 0 11 -4,-2.2 5,-1.9 2,-0.2 -2,-0.2 0.902 119.9 39.5 -55.3 -45.3 39.3 12.4 29.0 177 179 A R H ><5S+ 0 0 130 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.969 119.1 43.1 -70.8 -54.9 37.9 9.8 31.5 178 180 A A H 3<5S+ 0 0 76 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.838 120.3 40.5 -64.7 -37.1 41.1 8.7 33.3 179 181 A E T 3<5S- 0 0 63 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.335 104.6-127.3 -94.6 5.9 42.5 12.3 33.7 180 182 A R T < 5 - 0 0 184 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.906 37.2-168.1 46.2 52.2 39.1 13.7 34.5 181 183 A L < - 0 0 10 -5,-1.9 -177,-0.2 -6,-0.3 -1,-0.2 -0.477 21.9-179.6 -74.1 136.6 39.5 16.4 31.9 182 184 A N + 0 0 56 -179,-2.4 2,-0.3 -2,-0.2 -178,-0.2 0.248 64.5 38.8-119.9 11.2 37.0 19.2 31.9 183 185 A G E -b 4 0A 0 -180,-1.3 -178,-2.8 26,-0.2 2,-0.4 -0.986 59.7-150.0-160.5 150.1 38.3 21.2 28.9 184 186 A L E -bc 5 211A 2 26,-2.8 28,-3.2 -2,-0.3 2,-0.4 -0.960 8.9-158.3-123.6 139.9 39.8 20.8 25.5 185 187 A V E + c 0 212A 4 -180,-2.8 -178,-0.5 -2,-0.4 2,-0.3 -0.974 11.8 176.2-116.9 128.7 42.2 23.1 23.7 186 188 A V - 0 0 1 26,-2.2 3,-0.1 -2,-0.4 -2,-0.0 -0.947 14.5-166.2-121.7 155.0 42.6 23.2 19.9 187 189 A S + 0 0 27 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.294 67.5 20.1-123.7 6.3 44.9 25.6 18.1 188 190 A S S > S- 0 0 25 1,-0.1 4,-2.3 30,-0.1 -1,-0.2 -0.980 75.0-106.1-166.1 165.2 43.7 25.3 14.5 189 191 A G H > S+ 0 0 5 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.864 120.2 51.1 -67.5 -38.8 40.9 24.1 12.2 190 192 A Q H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 110.6 49.7 -64.0 -43.0 42.8 21.0 11.1 191 193 A G H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.925 111.0 49.5 -59.4 -44.1 43.4 20.2 14.8 192 194 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.892 111.2 49.7 -61.6 -42.3 39.7 20.7 15.5 193 195 A Q H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 109.6 50.5 -60.0 -46.8 38.8 18.4 12.5 194 196 A N H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.875 108.5 53.9 -61.5 -35.8 41.2 15.7 13.7 195 197 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.917 109.6 46.4 -63.5 -46.1 39.5 15.9 17.2 196 198 A Y H X S+ 0 0 97 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.938 114.1 48.7 -60.5 -47.9 36.1 15.4 15.7 197 199 A Q H < S+ 0 0 122 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.5 43.4 -60.5 -39.9 37.4 12.5 13.6 198 200 A L H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 108.5 57.4 -77.3 -36.6 39.1 10.8 16.5 199 201 A A H >< S+ 0 0 2 -4,-2.8 3,-2.7 -5,-0.2 4,-0.2 0.866 80.3 154.2 -57.3 -36.5 36.1 11.5 18.8 200 202 A A G >< S+ 0 0 66 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 -0.154 71.7 1.9 46.8-123.3 34.1 9.5 16.3 201 203 A A G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.635 132.1 60.4 -68.0 -16.3 31.1 7.9 18.1 202 204 A D G X> S+ 0 0 65 -3,-2.7 4,-2.6 1,-0.2 3,-0.8 0.367 71.9 105.4 -94.0 5.5 32.0 9.5 21.4 203 205 A W H <> S+ 0 0 23 -3,-1.6 4,-3.3 1,-0.2 5,-0.2 0.842 70.5 61.4 -53.8 -39.7 31.7 13.0 20.0 204 206 A P H 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.912 113.9 37.1 -55.7 -39.3 28.4 13.7 21.7 205 207 A E H X4 S+ 0 0 45 -3,-0.8 3,-0.8 -4,-0.2 4,-0.4 0.909 122.5 42.2 -72.8 -47.1 30.3 13.2 25.1 206 208 A I H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -3,-0.2 0.927 108.9 57.9 -73.3 -42.1 33.5 14.9 24.0 207 209 A G T 3< S+ 0 0 2 -4,-3.3 21,-1.8 1,-0.3 22,-0.6 0.574 93.7 72.6 -61.7 -11.4 31.9 17.8 22.2 208 210 A R T < S+ 0 0 151 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.768 80.2 90.0 -72.7 -30.8 30.1 18.6 25.5 209 211 A L S < S- 0 0 34 -3,-1.7 20,-0.4 -4,-0.4 -26,-0.2 -0.335 96.7 -84.8 -74.9 149.4 33.3 19.9 27.2 210 212 A P - 0 0 10 0, 0.0 -26,-2.8 0, 0.0 2,-0.6 -0.325 47.2-155.5 -46.1 124.3 34.4 23.5 27.1 211 213 A L E -cd 184 230A 2 18,-2.9 20,-3.2 -28,-0.2 2,-0.7 -0.952 1.5-152.9-115.6 110.0 36.4 23.8 23.8 212 214 A F E -cd 185 231A 1 -28,-3.2 -26,-2.2 -2,-0.6 20,-0.2 -0.760 18.6-177.7 -89.5 114.2 39.0 26.6 23.7 213 215 A V E - d 0 232A 1 18,-3.1 20,-3.2 -2,-0.7 22,-0.3 -0.787 29.4-133.2-113.3 150.7 39.6 27.8 20.2 214 216 A P S S+ 0 0 8 0, 0.0 21,-1.1 0, 0.0 23,-0.1 0.748 78.8 14.0 -75.9 -23.7 42.1 30.5 19.0 215 217 A S S > S- 0 0 1 19,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.920 74.3-102.0-148.5 166.7 39.8 32.5 16.7 216 218 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.883 118.6 55.1 -57.6 -41.2 36.2 33.4 15.5 217 219 A R H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.947 110.7 43.0 -58.7 -51.4 36.8 31.2 12.3 218 220 A V H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 110.8 57.7 -64.6 -33.0 37.7 28.1 14.3 219 221 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.922 108.9 45.3 -61.7 -43.9 34.8 29.0 16.7 220 222 A E H X S+ 0 0 115 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 110.1 53.5 -63.4 -46.3 32.4 28.8 13.8 221 223 A M H X S+ 0 0 59 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.895 109.3 50.9 -54.2 -41.8 34.0 25.6 12.5 222 224 A A H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.5 0.899 108.3 49.2 -65.7 -44.7 33.4 24.1 16.0 223 225 A R H ><5S+ 0 0 129 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.877 107.7 56.4 -58.1 -40.4 29.6 25.1 16.2 224 226 A E H 3<5S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.8 51.3 -62.3 -31.5 29.1 23.6 12.7 225 227 A L T 3<5S- 0 0 32 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.521 125.4-100.0 -86.0 -8.8 30.5 20.3 14.0 226 228 A G T < 5 + 0 0 38 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.670 63.1 159.5 99.0 20.3 28.1 20.2 17.0 227 229 A A < - 0 0 11 -5,-2.2 3,-0.3 1,-0.1 -1,-0.3 -0.661 23.8-162.3 -78.8 129.8 30.4 21.5 19.8 228 230 A Q S S+ 0 0 124 -21,-1.8 2,-0.3 -2,-0.4 -20,-0.1 0.613 76.9 40.1 -94.9 -16.9 28.1 22.8 22.6 229 231 A R S S+ 0 0 103 -22,-0.6 -18,-2.9 -20,-0.4 2,-0.5 -0.683 71.6 174.4-138.2 79.9 30.5 24.9 24.6 230 232 A V E -d 211 0A 35 -3,-0.3 2,-0.5 -2,-0.3 -18,-0.2 -0.790 9.6-166.4 -99.5 124.2 32.8 26.9 22.3 231 233 A I E -d 212 0A 30 -20,-3.2 -18,-3.1 -2,-0.5 2,-0.7 -0.947 11.2-145.7-120.9 123.0 35.1 29.4 23.8 232 234 A D E -d 213 0A 60 -2,-0.5 2,-0.2 -20,-0.2 -20,-0.1 -0.751 12.8-164.6 -91.0 112.9 37.0 32.0 21.8 233 235 A C - 0 0 4 -20,-3.2 2,-1.3 -2,-0.7 8,-0.1 -0.595 33.8-113.4 -86.9 159.4 40.4 32.8 23.2 234 236 A R S S- 0 0 191 6,-0.3 2,-0.2 -2,-0.2 -19,-0.1 -0.231 87.0 -31.2 -91.2 54.8 42.0 36.0 21.8 235 237 A G S S- 0 0 5 -2,-1.3 -126,-0.2 -21,-1.1 -2,-0.1 -0.749 76.0 -78.0 125.2-179.2 44.7 33.9 20.1 236 238 A A S S+ 0 0 43 -128,-0.4 -1,-0.1 -2,-0.2 -127,-0.1 0.382 84.6 110.6-103.5 1.7 46.7 30.7 20.4 237 239 A S S > S- 0 0 53 -3,-0.1 4,-2.1 -23,-0.1 5,-0.1 -0.309 76.8-113.3 -80.7 162.1 49.2 31.8 23.1 238 240 A A H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.884 115.0 51.3 -60.1 -45.7 49.4 30.6 26.7 239 241 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.919 110.1 51.1 -59.8 -41.2 48.5 34.1 28.2 240 242 A A H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -6,-0.3 0.916 110.5 49.1 -59.2 -44.3 45.5 34.2 26.0 241 243 A L H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.931 109.8 51.5 -62.7 -45.2 44.5 30.7 27.2 242 244 A L H X S+ 0 0 60 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.910 110.4 47.8 -55.9 -46.0 44.9 31.7 30.8 243 245 A A H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.888 112.5 49.9 -64.6 -38.2 42.7 34.8 30.5 244 246 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.824 109.1 52.2 -67.1 -34.0 40.1 32.7 28.7 245 247 A L H < S+ 0 0 6 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.912 108.0 51.3 -68.0 -45.1 40.2 30.1 31.5 246 248 A T H < S+ 0 0 118 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 112.7 45.4 -54.7 -47.4 39.6 32.8 34.1 247 249 A S H < S+ 0 0 108 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.856 102.2 78.1 -69.6 -37.2 36.6 34.1 32.3 248 250 A A < 0 0 12 -4,-1.9 -17,-0.0 1,-0.2 -3,-0.0 -0.258 360.0 360.0 -71.2 163.6 35.1 30.6 31.6 249 251 A A 0 0 126 -2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.569 360.0 360.0 -3.2 360.0 33.2 28.7 34.4