==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-MAR-09 3GW0 . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.P.HILL,J.D.PHILLIPS,F.G.WHITBY,C.WARBY,J.P.KUSHNER . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 1 0.3 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 . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 0 3 1 1 1 0 0 0 2 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 0 3 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 11 A F 0 0 110 0, 0.0 3,-0.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 151.4 21.1 48.6 65.3 2 12 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 135,-0.2 -0.167 360.0 -97.3 -50.4 142.5 22.1 47.9 61.7 3 13 A E - 0 0 176 133,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.479 44.5-108.8 -66.2 132.4 25.8 48.4 61.0 4 14 A L - 0 0 37 -2,-0.2 134,-0.2 1,-0.1 3,-0.2 -0.359 32.7-172.2 -62.6 128.9 26.3 51.9 59.4 5 15 A K S S+ 0 0 170 132,-3.9 2,-0.7 1,-0.3 133,-0.2 0.875 73.2 35.4 -91.8 -44.5 27.2 51.6 55.7 6 16 A N + 0 0 38 131,-0.8 -1,-0.3 132,-0.6 3,-0.2 -0.925 59.1 162.2-115.5 104.2 28.1 55.2 54.7 7 17 A D > + 0 0 69 -2,-0.7 4,-2.6 -3,-0.2 3,-0.3 0.109 35.4 117.9-107.5 17.6 29.9 57.0 57.6 8 18 A T H > S+ 0 0 16 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.936 76.2 53.3 -47.9 -48.6 31.4 59.9 55.5 9 19 A F H > S+ 0 0 0 60,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.887 111.5 45.1 -54.1 -46.5 29.5 62.4 57.4 10 20 A L H > S+ 0 0 26 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.922 111.7 51.9 -67.3 -37.6 30.8 61.1 60.7 11 21 A R H X>S+ 0 0 87 -4,-2.6 5,-2.7 2,-0.2 4,-0.9 0.931 111.7 46.9 -62.4 -46.3 34.3 60.9 59.5 12 22 A A H ><5S+ 0 0 3 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.914 110.1 54.5 -61.0 -42.8 34.2 64.5 58.3 13 23 A A H 3<5S+ 0 0 1 -4,-2.2 277,-0.3 -5,-0.3 -1,-0.2 0.781 108.2 47.6 -60.1 -35.9 32.7 65.6 61.6 14 24 A W H 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.645 122.7-106.1 -81.1 -17.1 35.5 64.0 63.5 15 25 A G T <<5S+ 0 0 29 -4,-0.9 -3,-0.2 -3,-0.7 2,-0.1 0.494 71.8 139.4 107.2 9.9 38.1 65.6 61.3 16 26 A E < - 0 0 92 -5,-2.7 -1,-0.3 -6,-0.2 306,-0.2 -0.453 57.2 -94.7 -88.5 157.1 39.2 62.6 59.3 17 27 A E - 0 0 118 -2,-0.1 2,-0.3 304,-0.1 -1,-0.1 -0.331 43.4-172.1 -60.8 147.2 39.9 62.4 55.5 18 28 A T - 0 0 12 302,-0.1 3,-0.1 -2,-0.1 -10,-0.0 -0.923 35.7-118.5-143.4 165.9 37.2 61.3 53.2 19 29 A D S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.1 337,-0.2 0.491 97.5 0.7 -82.5 -10.6 36.8 60.3 49.5 20 30 A Y S S- 0 0 27 300,-0.1 328,-0.1 335,-0.1 -1,-0.1 -0.961 87.6 -86.5-167.4 167.6 34.3 63.1 49.0 21 31 A T - 0 0 2 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.797 44.1-133.6 -88.6 123.7 32.6 65.9 50.9 22 32 A P - 0 0 0 0, 0.0 303,-2.2 0, 0.0 2,-0.4 -0.443 25.0-162.2 -76.5 158.0 29.5 64.7 52.6 23 33 A V B +a 325 0A 0 301,-0.2 46,-2.8 44,-0.2 47,-0.5 -0.998 20.2 159.6-142.4 138.7 26.3 66.9 52.3 24 34 A W - 0 0 0 301,-1.7 2,-0.4 -2,-0.4 303,-0.3 -0.953 27.9-129.4-143.5 169.2 23.0 67.3 54.0 25 35 A C > - 0 0 0 -2,-0.3 3,-2.1 45,-0.2 4,-0.2 -0.973 20.6-118.9-123.2 129.3 20.4 70.2 54.1 26 36 A M T 3 S+ 0 0 7 -2,-0.4 305,-1.7 1,-0.3 303,-0.1 -0.372 106.2 15.3 -55.9 139.0 18.7 71.8 57.1 27 37 A R T 3 S+ 0 0 145 303,-0.2 -1,-0.3 1,-0.1 47,-0.0 0.706 75.9 153.5 53.6 30.4 15.0 71.2 56.7 28 38 A Q S < S+ 0 0 2 -3,-2.1 2,-0.8 1,-0.2 -2,-0.1 0.819 71.6 57.4 -55.7 -26.9 15.6 68.5 54.1 29 39 A A S S+ 0 0 13 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.905 91.6 117.4 -97.1 107.6 12.2 67.2 55.3 30 40 A G S > S- 0 0 7 -2,-0.8 3,-2.1 28,-0.1 6,-0.3 -0.959 81.0 -77.7-163.9 174.0 10.1 70.3 54.6 31 41 A R T 3 S+ 0 0 138 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.605 109.8 80.4 -65.3 -16.2 7.2 71.7 52.7 32 42 A Y T 3 S+ 0 0 2 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.736 84.9 76.8 -59.9 -17.1 9.3 72.1 49.4 33 43 A L S <> S- 0 0 0 -3,-2.1 4,-1.7 1,-0.2 3,-0.4 -0.825 75.0-153.0 -96.0 126.3 8.5 68.4 49.1 34 44 A P H > S+ 0 0 56 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.902 98.3 54.0 -64.9 -35.4 4.9 67.6 48.0 35 45 A E H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.758 103.7 56.4 -71.4 -24.2 5.0 64.3 49.8 36 46 A F H > S+ 0 0 11 -3,-0.4 4,-2.6 -6,-0.3 5,-0.2 0.934 110.0 44.9 -67.0 -46.2 5.9 66.1 53.0 37 47 A R H X S+ 0 0 107 -4,-1.7 4,-2.7 -7,-0.2 -2,-0.2 0.963 113.4 52.5 -62.2 -46.7 2.8 68.3 52.6 38 48 A E H < S+ 0 0 154 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.941 113.1 40.4 -51.3 -55.4 0.8 65.2 51.8 39 49 A T H >< S+ 0 0 36 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.907 116.3 50.9 -68.8 -34.8 1.9 63.2 54.9 40 50 A R H >< S+ 0 0 53 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.830 93.9 72.8 -67.1 -30.7 1.6 66.3 57.1 41 51 A A T 3< S+ 0 0 87 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.683 84.4 75.6 -55.6 -12.6 -1.9 66.9 55.8 42 52 A A T < S- 0 0 80 -3,-1.4 2,-0.2 -4,-0.3 -1,-0.2 0.949 110.4 -10.4 -70.0 -52.3 -2.8 63.8 58.0 43 53 A Q S < S- 0 0 67 -3,-0.6 2,-0.1 -4,-0.4 -1,-0.0 -0.736 87.8 -71.6-129.7-173.0 -2.8 65.5 61.5 44 54 A D >> - 0 0 103 -2,-0.2 4,-2.6 1,-0.1 3,-0.9 -0.470 55.0 -97.4 -77.4 158.6 -1.7 68.8 63.1 45 55 A F H 3> S+ 0 0 28 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.817 119.7 41.1 -43.5 -54.8 2.0 69.7 63.5 46 56 A F H 3> S+ 0 0 13 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.739 114.7 52.7 -75.8 -20.2 2.6 68.6 67.1 47 57 A S H <4 S+ 0 0 42 -3,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.808 107.5 52.4 -80.7 -31.0 0.5 65.5 66.7 48 58 A T H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 7,-0.3 0.979 107.0 53.7 -59.4 -50.5 2.7 64.7 63.6 49 59 A C H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.6 53.2 -56.4 -29.0 5.7 65.1 65.9 50 60 A R T 3< S+ 0 0 122 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.437 89.4 85.0 -88.1 -3.1 4.2 62.6 68.4 51 61 A S <> - 0 0 34 -3,-2.1 4,-2.6 -4,-0.4 5,-0.3 -0.887 63.5-159.6-101.1 112.0 3.7 59.8 65.9 52 62 A P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 92.8 49.4 -57.6 -41.2 6.9 57.7 65.5 53 63 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.872 110.8 49.6 -64.9 -42.3 5.8 56.3 62.1 54 64 A A H > S+ 0 0 17 2,-0.2 4,-2.4 -6,-0.2 5,-0.2 0.930 113.4 45.0 -63.8 -41.3 4.9 59.8 60.8 55 65 A C H X S+ 0 0 1 -4,-2.6 4,-2.7 -7,-0.3 19,-0.4 0.932 114.0 51.4 -69.5 -39.7 8.4 61.3 61.9 56 66 A C H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.3 5,-0.2 0.959 110.3 48.1 -57.4 -51.8 10.1 58.3 60.5 57 67 A E H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.934 112.7 47.4 -55.5 -48.2 8.4 58.7 57.2 58 68 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.5 53.7 -63.0 -37.1 9.1 62.4 56.9 59 69 A T H < S+ 0 0 1 -4,-2.7 4,-0.5 -5,-0.2 13,-0.2 0.894 112.3 44.0 -62.1 -38.8 12.8 61.8 57.8 60 70 A L H >X S+ 0 0 25 -4,-2.0 4,-1.3 1,-0.2 3,-0.7 0.806 92.7 82.1 -79.3 -31.2 13.2 59.2 55.0 61 71 A Q H >X S+ 0 0 2 -4,-2.0 3,-0.9 1,-0.3 4,-0.8 0.858 92.8 45.0 -44.4 -51.9 11.4 61.1 52.2 62 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.7 0.862 107.7 59.2 -65.0 -33.1 14.3 63.3 51.2 63 73 A L H <4 S+ 0 0 11 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.753 100.9 57.7 -61.2 -23.8 16.7 60.3 51.3 64 74 A R H << S+ 0 0 144 -4,-1.3 -1,-0.2 -3,-0.9 -3,-0.1 0.749 115.1 35.5 -77.7 -23.0 14.4 58.7 48.6 65 75 A R H << S+ 0 0 98 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.799 124.3 31.8 -95.0 -34.9 14.9 61.7 46.4 66 76 A F S < S- 0 0 12 -4,-2.8 2,-2.2 -5,-0.1 -1,-0.2 -0.969 71.1-124.0-134.2 142.0 18.5 62.5 47.1 67 77 A P + 0 0 76 0, 0.0 -44,-0.2 0, 0.0 2,-0.1 -0.351 47.7 172.2 -77.8 63.0 21.7 60.7 48.1 68 78 A L - 0 0 5 -2,-2.2 -44,-0.2 -6,-0.2 -2,-0.0 -0.438 36.6-133.4 -71.0 150.7 22.2 62.9 51.2 69 79 A D S S+ 0 0 3 -46,-2.8 -60,-0.4 -2,-0.1 2,-0.3 0.441 83.9 27.7 -91.5 4.2 25.0 61.8 53.5 70 80 A A - 0 0 0 -47,-0.5 2,-0.4 69,-0.2 -45,-0.2 -0.986 63.5-142.6-156.0 154.8 22.9 62.1 56.6 71 81 A A E -b 141 0A 0 69,-2.4 71,-3.4 -2,-0.3 2,-0.4 -0.893 15.4-154.1-105.1 145.7 19.3 62.0 57.9 72 82 A I E -b 142 0A 18 -2,-0.4 71,-0.2 -13,-0.2 -43,-0.1 -0.982 28.4-108.2-119.8 134.1 18.0 64.4 60.5 73 83 A I - 0 0 5 69,-2.7 2,-0.6 -2,-0.4 -17,-0.1 -0.297 32.2-114.9 -59.5 140.6 15.1 63.3 62.7 74 84 A F + 0 0 21 -19,-0.4 2,-0.3 53,-0.1 -1,-0.1 -0.665 68.5 107.5 -76.2 119.0 11.8 65.1 62.0 75 85 A S - 0 0 12 -2,-0.6 2,-0.3 -20,-0.0 3,-0.1 -0.857 60.8-103.2-162.5-162.4 10.9 67.1 65.1 76 86 A D > - 0 0 35 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.996 14.8-132.2-144.5 143.8 10.8 70.7 66.3 77 87 A I T > S+ 0 0 23 -2,-0.3 3,-1.5 1,-0.3 69,-0.4 0.847 105.2 68.4 -60.9 -23.9 13.0 72.7 68.6 78 88 A L T 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.598 72.4 86.1 -77.7 -6.4 9.8 73.8 70.4 79 89 A V H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.806 85.6 58.3 -57.4 -28.1 9.1 70.4 71.8 80 90 A V H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.2 -1,-0.2 0.944 106.4 43.0 -72.3 -52.0 11.3 71.3 74.8 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 4,-0.3 0.920 115.2 52.6 -61.8 -33.0 9.4 74.4 75.9 82 92 A Q H ><5S+ 0 0 34 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.960 108.2 49.9 -60.4 -45.6 6.2 72.4 75.4 83 93 A A H 3<5S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.786 103.1 62.3 -66.7 -25.0 7.5 69.5 77.5 84 94 A L T 3<5S- 0 0 0 -4,-1.9 28,-2.8 -5,-0.1 -1,-0.3 0.524 131.6 -90.3 -74.7 -6.1 8.4 72.2 80.2 85 95 A G T < 5S+ 0 0 28 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.445 83.0 133.0 117.5 -2.7 4.7 73.0 80.5 86 96 A M < - 0 0 3 -5,-2.0 2,-0.4 1,-0.0 -1,-0.3 -0.635 53.6-126.7 -83.5 141.8 4.1 75.8 77.9 87 97 A E - 0 0 141 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.686 33.0-174.3 -87.5 131.9 1.2 75.6 75.6 88 98 A V - 0 0 16 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.885 10.1-169.9-127.0 151.9 2.1 75.9 71.8 89 99 A T E -H 97 0B 50 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.980 26.1-149.0-135.7 152.9 0.3 76.2 68.5 90 100 A M E -H 96 0B 53 -2,-0.3 3,-0.4 6,-0.2 -45,-0.2 -0.820 37.4-154.6-106.0 80.1 1.1 76.1 64.8 91 101 A V > - 0 0 53 4,-0.8 3,-2.3 -2,-0.5 4,-0.4 -0.439 53.6 -48.8 -66.3 134.1 -1.8 78.5 63.9 92 102 A P T 3 S- 0 0 109 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.482 113.0 -45.8 -15.9 86.4 -3.0 78.0 60.3 93 103 A G T 3 S+ 0 0 86 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.0 0.903 112.8 116.6 39.7 53.5 0.4 78.1 58.5 94 104 A K S < S- 0 0 146 -3,-2.3 -1,-0.1 1,-0.4 -3,-0.0 0.386 75.7-115.6-116.4 -7.6 1.5 81.2 60.6 95 105 A G - 0 0 27 -4,-0.4 -4,-0.8 64,-0.1 -1,-0.4 -0.519 57.0 -19.6 100.5-171.9 4.4 79.6 62.4 96 106 A P E -H 90 0B 42 0, 0.0 64,-0.4 0, 0.0 2,-0.4 -0.479 60.1-179.6 -71.9 137.0 4.9 78.8 66.1 97 107 A S E -H 89 0B 37 -8,-2.7 -8,-2.6 -2,-0.2 62,-0.2 -0.988 23.1-162.6-135.8 137.7 3.0 80.6 68.7 98 108 A F - 0 0 4 60,-1.7 -10,-0.2 -2,-0.4 -12,-0.0 -0.958 11.1-163.2-103.6 108.2 2.9 80.5 72.5 99 109 A P S S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.765 87.8 40.0 -61.5 -29.0 -0.4 82.2 73.4 100 110 A E S S- 0 0 117 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.696 83.8-175.2-121.0 75.9 0.8 82.7 77.0 101 111 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.196 38.3 -93.8 -66.0 158.2 4.6 83.7 76.8 102 112 A L + 0 0 0 53,-3.0 3,-0.1 1,-0.2 56,-0.0 -0.605 52.1 163.9 -66.3 128.3 6.7 84.1 79.9 103 113 A R + 0 0 93 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.652 56.1 21.6-124.9 -22.1 6.6 87.8 80.8 104 114 A E S > S- 0 0 91 1,-0.1 3,-1.5 73,-0.0 4,-0.3 -0.898 82.2 -98.7-141.6 175.4 7.8 88.1 84.3 105 115 A E G > S+ 0 0 98 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.827 116.7 61.7 -59.7 -38.6 9.9 86.2 86.8 106 116 A Q G > S+ 0 0 123 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.754 90.2 72.6 -59.8 -23.1 6.9 84.7 88.6 107 117 A D G X S+ 0 0 34 -3,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.720 79.3 74.3 -68.4 -22.1 6.0 83.0 85.3 108 118 A L G X S+ 0 0 9 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.3 0.756 80.0 73.8 -56.5 -29.4 8.9 80.6 85.9 109 119 A E G < S+ 0 0 153 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.688 87.3 61.9 -60.4 -25.0 6.8 78.8 88.6 110 120 A R G < S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.2 2,-0.2 0.625 83.1 98.6 -78.2 -10.3 4.7 77.2 85.9 111 121 A L S < S- 0 0 19 -3,-1.7 -26,-0.2 -4,-0.2 -27,-0.1 -0.470 76.4-114.0 -78.3 148.4 7.5 75.3 84.3 112 122 A R - 0 0 101 -28,-2.8 -1,-0.1 -2,-0.2 5,-0.1 -0.269 43.7 -84.3 -64.6 160.4 8.1 71.6 85.1 113 123 A D > - 0 0 82 1,-0.2 3,-2.2 2,-0.1 4,-0.4 -0.499 41.7-129.1 -56.7 129.9 11.3 70.4 86.9 114 124 A P G > S+ 0 0 17 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.787 103.4 68.5 -61.2 -23.4 13.7 70.2 84.0 115 125 A E G 3 S+ 0 0 149 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.578 95.9 54.1 -69.9 -9.4 14.6 66.6 85.2 116 126 A V G <> S+ 0 0 55 -3,-2.2 4,-1.5 1,-0.1 3,-0.3 0.496 85.6 88.6 -96.0 -4.5 11.2 65.4 84.2 117 127 A V H <> S+ 0 0 0 -3,-1.4 4,-0.8 -4,-0.4 -2,-0.1 0.864 79.3 56.1 -65.4 -39.4 11.5 66.7 80.6 118 128 A A H >4 S+ 0 0 20 -4,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.903 104.7 54.3 -63.8 -36.7 13.1 63.7 79.0 119 129 A S H >4 S+ 0 0 91 1,-0.3 3,-1.2 -3,-0.3 -1,-0.2 0.905 106.0 53.4 -66.4 -33.5 10.2 61.5 80.2 120 130 A E H 3< S+ 0 0 74 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.654 106.6 54.7 -65.3 -16.5 7.8 63.9 78.5 121 131 A L T XX + 0 0 0 -3,-1.1 4,-1.4 -4,-0.8 3,-1.2 0.109 66.1 118.9-108.9 20.6 9.7 63.5 75.3 122 132 A G H <> + 0 0 17 -3,-1.2 4,-2.8 1,-0.3 5,-0.2 0.848 68.9 65.9 -48.2 -40.7 9.6 59.7 75.0 123 133 A Y H 3> S+ 0 0 21 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.839 100.4 49.2 -55.5 -34.2 7.8 60.0 71.7 124 134 A V H <> S+ 0 0 2 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.928 109.8 50.5 -70.9 -43.6 10.8 61.6 70.1 125 135 A F H X S+ 0 0 40 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.913 110.7 51.2 -60.4 -39.6 13.1 58.8 71.4 126 136 A Q H X S+ 0 0 116 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.902 109.8 49.2 -60.2 -39.8 10.6 56.3 69.9 127 137 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.882 110.7 50.9 -68.9 -37.8 10.7 58.1 66.6 128 138 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 111.3 45.9 -66.0 -44.0 14.5 58.1 66.7 129 139 A T H X S+ 0 0 51 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.960 114.6 49.2 -66.2 -46.0 14.8 54.3 67.4 130 140 A L H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.918 113.0 45.9 -55.9 -46.9 12.3 53.5 64.7 131 141 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.899 110.6 52.0 -67.3 -43.1 14.0 55.7 62.1 132 142 A R H X>S+ 0 0 44 -4,-2.4 4,-1.0 2,-0.2 5,-0.7 0.922 113.1 47.3 -60.5 -41.1 17.5 54.3 62.9 133 143 A Q H ><5S+ 0 0 99 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.952 114.8 44.4 -58.3 -52.9 16.1 50.8 62.5 134 144 A R H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.796 105.2 61.1 -70.3 -31.3 14.3 51.6 59.1 135 145 A L H ><5S- 0 0 10 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 0.823 90.6-158.1 -63.0 -27.3 17.3 53.5 57.8 136 146 A A T <<5 - 0 0 56 -4,-1.0 -3,-0.1 -3,-0.6 -133,-0.1 0.858 63.7 -56.1 56.1 35.6 19.0 50.1 58.1 137 147 A G T 3 - 0 0 0 60,-2.5 4,-2.6 -2,-0.3 5,-0.2 -0.394 33.8-105.0 -71.6 159.9 20.1 76.1 72.2 148 158 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.872 117.6 45.2 -54.3 -52.6 19.1 77.6 75.6 149 159 A W H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.923 113.7 50.4 -63.3 -39.9 19.1 81.3 74.5 150 160 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 112.3 47.0 -64.3 -42.5 17.2 80.6 71.3 151 161 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.884 108.7 55.4 -67.3 -37.1 14.6 78.6 73.2 152 162 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 5,-0.3 0.923 102.5 56.9 -64.0 -36.5 14.3 81.4 75.7 153 163 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.4 0.902 109.1 45.8 -61.5 -43.6 13.5 83.8 72.9 154 164 A Y H X S+ 0 0 33 -4,-1.5 4,-2.1 2,-0.2 5,-0.4 0.907 112.0 51.2 -58.4 -41.7 10.6 81.8 71.8 155 165 A M H < S+ 0 0 0 -4,-2.1 -53,-3.0 1,-0.2 -2,-0.2 0.783 119.9 34.0 -70.5 -30.6 9.3 81.3 75.3 156 166 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 -55,-0.2 -2,-0.2 0.848 123.7 41.8 -92.4 -41.7 9.4 85.1 76.1 157 167 A E H < S- 0 0 31 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.774 99.5-131.7 -73.5 -30.7 8.5 86.5 72.7 158 168 A G S < S- 0 0 9 -4,-2.1 -60,-1.7 -5,-0.3 2,-0.3 0.612 75.3 -16.5 87.7 16.1 5.7 83.9 72.0 159 169 A G S S- 0 0 6 -6,-0.4 -2,-0.2 -5,-0.4 -62,-0.1 -0.948 112.2 -14.0 149.3-164.0 7.0 83.1 68.5 160 170 A G - 0 0 62 -64,-0.4 2,-0.3 -2,-0.3 -6,-0.0 -0.254 55.2-177.2 -70.7 157.4 9.4 84.8 66.0 161 171 A S - 0 0 33 1,-0.0 -4,-0.0 -2,-0.0 -3,-0.0 -0.982 29.5-144.8-159.7 136.7 10.6 88.4 66.3 162 172 A S S S+ 0 0 113 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.609 104.2 24.7 -83.6 -12.4 12.7 90.8 64.2 163 173 A T S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.601 82.7-141.9-120.5 -24.8 14.2 92.5 67.2 164 174 A M > + 0 0 0 3,-0.1 4,-3.1 1,-0.1 5,-0.4 0.783 46.5 155.1 52.3 30.8 14.0 90.1 70.2 165 175 A A H > + 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.861 66.2 44.0 -56.5 -45.7 13.2 93.3 72.2 166 176 A Q H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 114.6 48.7 -66.1 -45.4 11.3 91.5 74.9 167 177 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.927 115.5 44.0 -62.7 -43.9 13.8 88.7 75.3 168 178 A K H X S+ 0 0 60 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.857 106.1 62.0 -69.8 -32.2 16.8 91.2 75.4 169 179 A R H X>S+ 0 0 138 -4,-2.0 4,-3.6 -5,-0.4 5,-0.5 0.937 101.9 51.9 -56.6 -41.3 14.8 93.3 77.8 170 180 A W H X5S+ 0 0 2 -4,-1.9 4,-2.8 3,-0.2 8,-0.3 0.932 108.7 51.1 -57.9 -44.3 14.8 90.3 80.2 171 181 A L H <5S+ 0 0 3 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.913 119.0 35.9 -58.5 -42.6 18.6 90.1 79.8 172 182 A Y H <5S+ 0 0 161 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.890 131.0 28.6 -80.5 -41.5 19.0 93.8 80.7 173 183 A Q H <5S+ 0 0 118 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.738 132.8 27.7 -93.7 -25.9 16.3 94.2 83.2 174 184 A R X< + 0 0 76 -4,-2.8 4,-2.3 -5,-0.5 -1,-0.2 -0.448 65.6 153.6-130.6 61.6 16.0 90.8 84.8 175 185 A P H > S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.863 75.8 51.4 -63.9 -33.1 19.4 89.2 84.4 176 186 A Q H > S+ 0 0 169 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.938 112.3 43.8 -67.0 -46.7 19.0 86.9 87.4 177 187 A A H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.850 112.7 56.3 -65.3 -31.4 15.6 85.5 86.2 178 188 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 -8,-0.3 -2,-0.2 0.962 108.0 45.3 -65.1 -51.8 17.2 85.2 82.8 179 189 A H H X S+ 0 0 68 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.904 110.9 54.6 -59.1 -42.2 20.0 83.1 84.2 180 190 A Q H X S+ 0 0 94 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.943 111.9 43.6 -55.4 -47.4 17.5 81.0 86.2 181 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.895 112.1 52.5 -62.8 -44.2 15.5 80.3 82.9 182 192 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.881 110.7 48.3 -62.8 -38.1 18.7 79.6 80.9 183 193 A R H X S+ 0 0 87 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.907 109.3 51.9 -68.0 -42.9 19.8 77.1 83.5 184 194 A I H X S+ 0 0 24 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.936 112.4 48.5 -55.6 -44.7 16.3 75.4 83.6 185 195 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 112.1 46.2 -63.3 -48.1 16.6 75.1 79.8 186 196 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.893 111.1 53.5 -55.4 -45.6 20.2 73.7 79.9 187 197 A D H < S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.770 113.7 43.1 -68.6 -23.3 19.1 71.2 82.7 188 198 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.2 -1,-0.2 0.829 112.9 52.3 -83.7 -39.4 16.2 70.0 80.4 189 199 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.875 100.5 60.1 -65.0 -38.5 18.3 69.9 77.3 190 200 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.986 110.1 39.7 -64.7 -51.7 21.1 67.7 78.6 191 201 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.862 115.0 54.2 -67.6 -25.2 19.0 64.7 79.5 192 202 A Y H X S+ 0 0 3 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.931 111.5 43.9 -68.5 -45.5 16.9 65.1 76.4 193 203 A L H X S+ 0 0 2 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.868 111.9 52.1 -63.2 -43.3 20.0 65.1 74.1 194 204 A V H >X S+ 0 0 20 -4,-2.7 4,-2.8 -5,-0.3 3,-0.5 0.958 110.0 51.8 -57.4 -45.7 21.5 62.1 76.0 195 205 A G H 3X S+ 0 0 13 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.874 103.7 56.7 -57.8 -36.3 18.1 60.3 75.5 196 206 A Q H 3<>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 4,-0.3 0.878 109.6 44.7 -62.2 -38.2 18.3 61.0 71.8 197 207 A V H X<5S+ 0 0 16 -4,-1.4 3,-1.4 -3,-0.5 -2,-0.2 0.929 110.9 53.3 -71.6 -42.6 21.7 59.2 71.7 198 208 A V H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.902 108.2 53.0 -56.2 -38.0 20.4 56.3 73.9 199 209 A A T 3<5S- 0 0 10 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.583 135.9 -83.0 -75.3 -12.1 17.5 56.0 71.4 200 210 A G T < 5S+ 0 0 1 -3,-1.4 -59,-0.3 -4,-0.3 -3,-0.2 0.457 73.5 149.1 129.6 -3.2 19.9 55.7 68.4 201 211 A A < - 0 0 3 -5,-2.8 -1,-0.3 -6,-0.2 -59,-0.2 -0.452 26.6-164.7 -63.1 135.6 21.1 59.2 67.3 202 212 A Q S S+ 0 0 21 -61,-2.8 2,-0.3 1,-0.2 -60,-0.2 0.421 71.3 16.6-103.0 -2.7 24.6 59.2 65.9 203 213 A A E -c 142 0A 0 -62,-0.7 -60,-3.0 43,-0.2 2,-0.4 -0.936 69.7-142.8-163.5 152.7 25.3 62.9 65.9 204 214 A L E -cd 143 248A 3 43,-2.2 45,-2.6 -2,-0.3 2,-0.5 -0.994 6.8-162.4-127.8 137.6 23.7 65.9 67.7 205 215 A Q E -cd 144 249A 2 -62,-2.0 -60,-1.8 -2,-0.4 2,-0.5 -0.982 6.1-156.1-121.7 130.6 23.1 69.5 66.4 206 216 A L E -cd 145 250A 3 43,-3.3 45,-2.5 -2,-0.5 2,-0.8 -0.900 14.4-147.0-101.2 127.0 22.4 72.3 68.7 207 217 A F E +cd 146 251A 28 -62,-2.7 -60,-2.5 -2,-0.5 2,-1.0 -0.835 20.6 176.8-103.5 106.5 20.5 75.2 66.9 208 218 A E E > + d 0 252A 0 43,-3.3 45,-1.1 -2,-0.8 3,-0.8 -0.680 18.4 157.4-104.3 77.2 21.3 78.6 68.1 209 219 A S T 3 + 0 0 29 -2,-1.0 3,-0.2 1,-0.2 -1,-0.2 0.720 67.1 46.9 -72.0 -28.3 19.2 80.5 65.5 210 220 A H T 3 S+ 0 0 23 -3,-0.2 3,-0.3 1,-0.2 -1,-0.2 -0.099 76.7 106.3-107.0 24.0 18.7 83.7 67.5 211 221 A A X + 0 0 0 -3,-0.8 3,-2.6 42,-0.3 -1,-0.2 0.868 66.8 68.1 -69.1 -41.6 22.2 84.4 68.5 212 222 A G T 3 S+ 0 0 23 41,-1.1 -1,-0.2 1,-0.3 42,-0.1 0.725 86.5 67.4 -62.1 -24.2 22.9 87.2 66.1 213 223 A H T 3 S+ 0 0 54 -3,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.706 93.0 73.7 -60.8 -23.4 20.4 89.5 67.9 214 224 A L S < S- 0 0 3 -3,-2.6 -50,-0.0 -4,-0.2 -46,-0.0 -0.628 80.7-136.6 -87.5 144.7 22.9 89.5 70.8 215 225 A G > - 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