==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-OCT-03 1R3Q . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.PHILLIPS,F.G.WHITBY,J.P.KUSHNER,C.P.HILL . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 69.7 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 . 6 1.7 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 . 13 3.6 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 . 136 38.1 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 2 2 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 . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 10 A G 0 0 107 0, 0.0 133,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.4 20.7 47.4 70.1 2 11 A F - 0 0 68 1,-0.1 3,-0.1 136,-0.0 132,-0.1 -0.752 360.0 -74.8-139.6 162.7 20.9 48.4 66.4 3 12 A P - 0 0 38 0, 0.0 135,-0.2 0, 0.0 2,-0.1 -0.231 58.7 -96.8 -62.0 148.4 22.0 47.8 62.8 4 13 A E - 0 0 180 133,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.415 42.7-109.2 -67.0 135.5 25.7 48.3 62.0 5 14 A L - 0 0 39 1,-0.2 3,-0.2 -2,-0.1 134,-0.2 -0.505 33.1-174.5 -69.9 127.8 26.3 51.8 60.5 6 15 A K S S+ 0 0 175 132,-3.1 2,-0.6 -2,-0.3 133,-0.2 0.840 74.5 37.0 -92.3 -42.5 27.2 51.5 56.7 7 16 A N + 0 0 37 131,-0.8 -1,-0.3 132,-0.6 3,-0.2 -0.931 60.1 161.7-117.8 106.1 28.0 55.1 55.8 8 17 A D >> + 0 0 71 -2,-0.6 4,-2.4 -3,-0.2 3,-0.5 0.198 34.8 118.3-111.0 18.1 29.8 56.8 58.7 9 18 A T H 3> S+ 0 0 14 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.861 74.4 53.9 -53.7 -45.4 31.3 59.7 56.6 10 19 A F H 3> S+ 0 0 0 60,-0.5 4,-2.2 -3,-0.2 -1,-0.3 0.893 110.2 45.9 -55.1 -45.7 29.4 62.3 58.7 11 20 A L H <> S+ 0 0 28 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.918 111.6 51.3 -66.4 -45.6 30.7 60.9 62.0 12 21 A R H X>S+ 0 0 75 -4,-2.4 5,-2.7 1,-0.2 4,-0.7 0.953 112.7 46.6 -57.3 -46.9 34.3 60.7 60.7 13 22 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.914 109.8 54.2 -60.8 -42.0 34.1 64.3 59.5 14 23 A A H 3<5S+ 0 0 2 -4,-2.2 277,-0.4 1,-0.3 -1,-0.2 0.879 109.0 47.6 -61.2 -37.6 32.6 65.4 62.8 15 24 A W H 3<5S- 0 0 115 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.552 124.3-105.3 -82.5 -5.8 35.4 63.9 64.8 16 25 A G T <<5S+ 0 0 33 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.2 0.699 70.2 142.6 92.5 24.1 38.0 65.6 62.4 17 26 A E < - 0 0 97 -5,-2.7 -1,-0.3 -6,-0.2 306,-0.2 -0.592 56.2 -98.1 -96.4 155.6 39.1 62.6 60.4 18 27 A E - 0 0 150 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.437 43.2-173.1 -69.4 144.3 39.9 62.4 56.7 19 28 A T - 0 0 13 302,-0.2 3,-0.0 -2,-0.1 -9,-0.0 -0.929 36.0-116.3-133.1 164.3 37.1 61.2 54.4 20 29 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.605 98.0 2.0 -73.7 -19.2 36.9 60.3 50.7 21 30 A Y S S- 0 0 27 300,-0.1 328,-0.1 335,-0.1 329,-0.1 -0.954 88.0 -87.2-158.0 169.3 34.3 63.0 50.1 22 31 A T - 0 0 3 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.776 43.3-132.6 -87.5 123.8 32.6 65.8 52.0 23 32 A P - 0 0 0 0, 0.0 303,-2.3 0, 0.0 2,-0.4 -0.477 24.8-162.7 -76.9 155.0 29.4 64.7 53.8 24 33 A V B +a 326 0A 0 44,-0.2 46,-2.9 301,-0.2 47,-0.4 -0.997 20.0 161.2-141.1 136.0 26.3 66.8 53.4 25 34 A W - 0 0 0 301,-1.6 2,-0.5 -2,-0.4 303,-0.3 -0.942 28.8-129.0-140.8 169.9 23.0 67.2 55.0 26 35 A C > - 0 0 0 -2,-0.3 3,-1.6 45,-0.2 4,-0.2 -0.974 20.1-120.0-123.4 127.0 20.4 70.0 55.0 27 36 A M T 3 S+ 0 0 3 -2,-0.5 305,-2.1 1,-0.3 303,-0.1 -0.387 104.5 15.3 -58.8 138.1 18.8 71.7 57.9 28 37 A R T 3 S+ 0 0 111 303,-0.2 -1,-0.3 1,-0.1 47,-0.0 0.764 77.6 153.3 59.9 33.8 15.0 71.2 57.7 29 38 A Q < + 0 0 3 -3,-1.6 2,-0.8 1,-0.2 -2,-0.1 0.802 69.0 60.8 -62.0 -29.0 15.5 68.4 55.1 30 39 A A S S+ 0 0 12 -4,-0.2 2,-0.3 32,-0.1 -1,-0.2 -0.892 90.8 113.8 -91.9 105.4 12.2 67.1 56.4 31 40 A G S > S- 0 0 8 -2,-0.8 3,-2.0 28,-0.1 6,-0.3 -0.969 81.4 -76.1-166.4 177.8 10.0 70.1 55.6 32 41 A R T 3 S+ 0 0 118 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.562 108.6 79.3 -68.9 -11.8 7.2 71.6 53.6 33 42 A Y T 3 S+ 0 0 3 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.711 84.2 76.4 -65.8 -19.8 9.3 71.9 50.4 34 43 A L S X> S- 0 0 0 -3,-2.0 4,-1.7 1,-0.1 3,-1.0 -0.837 76.0-149.5 -93.5 122.6 8.5 68.2 50.0 35 44 A P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.884 99.2 56.0 -55.2 -37.7 5.0 67.4 48.8 36 45 A E H 3> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.745 102.8 55.3 -69.0 -24.9 5.0 64.1 50.7 37 46 A F H <> S+ 0 0 10 -3,-1.0 4,-2.7 -6,-0.3 -1,-0.2 0.925 106.8 50.4 -68.9 -47.8 5.8 66.0 54.0 38 47 A R H X S+ 0 0 106 -4,-1.7 4,-1.3 -7,-0.2 -2,-0.2 0.892 111.0 49.6 -56.1 -42.5 2.8 68.2 53.5 39 48 A E H X S+ 0 0 155 -4,-1.9 4,-0.6 2,-0.2 3,-0.4 0.945 112.0 46.0 -63.8 -48.8 0.7 65.0 52.9 40 49 A T H >< S+ 0 0 36 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.906 114.8 48.6 -62.5 -38.9 1.9 63.2 56.0 41 50 A R H >< S+ 0 0 37 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.743 93.6 76.6 -72.1 -22.6 1.5 66.4 58.1 42 51 A A H 3< S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.764 86.5 62.8 -62.1 -25.8 -2.1 67.0 56.8 43 52 A A T << S+ 0 0 90 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.724 110.6 19.6 -74.4 -27.5 -3.5 64.2 59.1 44 53 A Q S < S- 0 0 58 -3,-1.1 2,-0.1 -4,-0.3 -1,-0.0 -0.921 83.5 -92.5-138.6 164.2 -2.6 65.7 62.5 45 54 A D > - 0 0 94 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.392 52.0-101.7 -69.8 160.8 -1.7 69.0 64.3 46 55 A F H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.898 119.4 44.7 -59.1 -51.0 2.0 69.6 64.5 47 56 A F H > S+ 0 0 7 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.847 111.2 55.3 -69.7 -26.4 2.6 68.6 68.2 48 57 A S H 4 S+ 0 0 26 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.860 105.9 52.3 -68.8 -35.3 0.5 65.5 67.7 49 58 A T H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 7,-0.4 0.932 106.5 53.1 -60.4 -46.9 2.8 64.6 64.7 50 59 A C H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 105.4 55.9 -59.6 -28.4 5.7 65.0 67.0 51 60 A R T 3< S+ 0 0 121 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.479 91.5 83.0 -81.6 -7.1 4.0 62.6 69.5 52 61 A S <> - 0 0 38 -3,-1.7 4,-2.6 -4,-0.3 5,-0.2 -0.887 62.1-161.5-105.8 106.6 3.7 59.8 66.9 53 62 A P H > S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 92.7 49.8 -53.8 -43.2 6.8 57.6 66.5 54 63 A E H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 111.5 48.1 -64.4 -41.2 5.7 56.3 63.1 55 64 A A H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 113.6 47.5 -66.0 -40.2 4.9 59.8 61.7 56 65 A C H X S+ 0 0 1 -4,-2.6 4,-2.3 -7,-0.4 19,-0.4 0.923 112.0 49.8 -65.3 -42.2 8.2 61.1 62.9 57 66 A C H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.957 111.2 49.8 -61.5 -46.4 10.1 58.1 61.4 58 67 A E H X S+ 0 0 63 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.932 111.3 48.0 -60.4 -46.5 8.3 58.6 58.1 59 68 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.0 51.3 -63.4 -37.1 9.1 62.3 58.0 60 69 A T H < S+ 0 0 1 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.885 113.0 45.4 -62.1 -42.6 12.8 61.7 58.8 61 70 A L H >X S+ 0 0 26 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.787 92.2 82.0 -75.8 -29.9 13.1 59.1 56.0 62 71 A Q H >X S+ 0 0 2 -4,-1.9 3,-0.8 1,-0.2 4,-0.7 0.862 92.4 45.5 -49.4 -51.9 11.3 61.0 53.3 63 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.861 108.4 58.7 -61.2 -32.7 14.3 63.2 52.2 64 73 A L H <4 S+ 0 0 11 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.734 99.4 57.5 -69.9 -21.0 16.6 60.2 52.3 65 74 A R H << S+ 0 0 142 -4,-1.3 -1,-0.3 -3,-0.8 -3,-0.1 0.720 116.3 36.2 -76.4 -22.8 14.4 58.5 49.7 66 75 A R H << S+ 0 0 93 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.1 0.777 123.7 29.8 -93.1 -37.4 15.0 61.5 47.4 67 76 A F S < S- 0 0 11 -4,-2.4 2,-2.0 278,-0.0 -1,-0.3 -0.983 73.0-121.0-135.3 144.2 18.6 62.4 48.1 68 77 A P + 0 0 72 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.315 48.4 172.5 -81.7 59.6 21.8 60.6 49.1 69 78 A L - 0 0 6 -2,-2.0 -44,-0.2 -6,-0.2 3,-0.0 -0.352 35.9-135.5 -70.0 150.3 22.2 62.7 52.3 70 79 A D S S+ 0 0 3 -46,-2.9 -60,-0.5 70,-0.1 2,-0.3 0.422 82.2 27.4 -92.4 2.1 24.9 61.6 54.6 71 80 A A - 0 0 0 -47,-0.4 2,-0.3 69,-0.2 -45,-0.2 -0.979 63.1-143.1-156.8 153.0 22.8 62.1 57.8 72 81 A A E -b 142 0A 0 69,-2.5 71,-2.9 -2,-0.3 2,-0.4 -0.889 13.9-152.9-109.7 146.6 19.2 61.9 59.0 73 82 A I E -b 143 0A 20 -2,-0.3 71,-0.2 -13,-0.2 -43,-0.1 -0.993 28.2-109.3-118.1 133.2 17.9 64.3 61.7 74 83 A I - 0 0 5 69,-2.4 2,-0.6 -2,-0.4 -17,-0.1 -0.317 29.9-116.2 -61.2 137.0 15.0 63.2 63.8 75 84 A F S S+ 0 0 18 -19,-0.4 2,-0.2 53,-0.1 -1,-0.1 -0.673 71.5 102.8 -72.5 115.6 11.7 64.9 63.1 76 85 A S - 0 0 11 -2,-0.6 2,-0.3 -20,-0.0 3,-0.1 -0.853 61.6-108.8-163.5-157.5 10.8 66.7 66.3 77 86 A D > - 0 0 40 -2,-0.2 3,-1.2 68,-0.1 4,-0.2 -0.995 14.7-125.3-150.9 153.5 10.9 70.3 67.5 78 87 A I T > S+ 0 0 22 -2,-0.3 3,-1.4 1,-0.2 69,-0.4 0.788 105.3 68.7 -65.3 -24.6 13.0 72.4 69.9 79 88 A L T 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.549 72.3 86.6 -81.6 2.2 9.8 73.6 71.6 80 89 A V H <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.800 84.7 60.2 -63.9 -23.3 9.0 70.1 73.1 81 90 A V H <> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.964 105.3 42.5 -74.9 -52.5 11.2 71.1 76.0 82 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.1 0, 0.0 4,-0.3 0.884 114.8 53.6 -59.6 -34.8 9.2 74.2 77.2 83 92 A Q H ><5S+ 0 0 44 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.947 107.7 49.1 -59.2 -45.4 6.1 72.2 76.6 84 93 A A H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.2 0.750 103.4 62.4 -69.1 -24.6 7.5 69.3 78.8 85 94 A L T 3<5S- 0 0 0 -4,-1.7 28,-2.6 -5,-0.1 -1,-0.3 0.506 131.0 -92.3 -74.6 -9.6 8.3 72.0 81.5 86 95 A G T < 5S+ 0 0 27 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.461 83.1 131.5 112.3 7.6 4.6 72.8 81.7 87 96 A M < - 0 0 0 -5,-2.1 2,-0.4 13,-0.0 -1,-0.3 -0.710 54.8-126.9 -88.6 138.2 4.0 75.6 79.2 88 97 A E - 0 0 133 -2,-0.4 13,-0.4 13,-0.1 2,-0.4 -0.690 31.6-175.4 -83.0 134.9 1.2 75.3 76.7 89 98 A V - 0 0 13 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.998 7.6-172.6-136.8 139.5 2.2 75.7 73.1 90 99 A T E -H 98 0B 74 8,-2.8 8,-2.4 -2,-0.4 2,-0.5 -0.859 23.1-131.7-122.9 158.2 0.3 75.9 69.8 91 100 A M E -H 97 0B 58 -2,-0.3 -45,-0.1 6,-0.2 -44,-0.0 -0.972 26.0-158.3-109.0 124.0 1.2 76.0 66.1 92 101 A V E >> -H 96 0B 53 4,-2.1 4,-2.7 -2,-0.5 3,-1.4 -0.892 27.0-103.7-106.0 129.9 -0.8 78.7 64.4 93 102 A P T 34 S- 0 0 124 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.268 99.4 -7.3 -57.1 128.8 -1.3 78.6 60.6 94 103 A G T 34 S+ 0 0 95 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.328 131.4 67.0 70.1 -8.7 1.0 81.0 58.7 95 104 A K T <4 S- 0 0 189 -3,-1.4 66,-0.2 1,-0.2 -1,-0.2 0.718 90.1-144.0-109.6 -36.0 2.2 82.6 62.0 96 105 A G E < +H 92 0B 21 -4,-2.7 -4,-2.1 64,-0.1 -1,-0.2 -0.633 48.3 1.0 102.7-158.7 4.2 79.7 63.6 97 106 A P E -H 91 0B 38 0, 0.0 64,-0.5 0, 0.0 2,-0.4 -0.331 60.2-176.7 -73.3 146.8 4.6 78.7 67.3 98 107 A S E -HI 90 160B 44 -8,-2.4 -8,-2.8 62,-0.1 62,-0.2 -0.998 23.2-158.9-142.5 137.4 2.8 80.5 70.0 99 108 A F - 0 0 3 60,-2.0 -10,-0.2 -2,-0.4 -8,-0.0 -0.966 13.1-160.4-108.4 110.4 2.7 80.2 73.8 100 109 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.735 86.5 40.7 -66.6 -20.2 -0.5 81.9 74.8 101 110 A E S S- 0 0 103 -13,-0.4 -13,-0.1 -3,-0.1 58,-0.1 -0.668 82.4-176.4-126.6 75.9 0.8 82.4 78.4 102 111 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.204 37.2 -93.9 -68.1 161.6 4.4 83.4 78.2 103 112 A L + 0 0 0 53,-2.5 3,-0.1 1,-0.2 56,-0.0 -0.660 53.8 156.7 -73.0 120.0 6.6 84.0 81.2 104 113 A R + 0 0 100 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.674 57.3 32.8-122.5 -21.3 6.5 87.7 82.1 105 114 A E S > S- 0 0 88 1,-0.1 3,-1.2 73,-0.0 4,-0.4 -0.864 82.6-107.6-133.0 166.0 7.5 87.9 85.8 106 115 A E G > S+ 0 0 92 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.843 116.1 63.5 -63.2 -30.8 9.7 86.0 88.1 107 116 A Q G > S+ 0 0 116 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.796 87.3 73.6 -64.8 -25.8 6.7 84.5 89.9 108 117 A D G X S+ 0 0 40 -3,-1.2 3,-1.5 1,-0.3 4,-0.3 0.752 79.7 72.6 -60.7 -23.6 5.8 82.8 86.5 109 118 A L G X S+ 0 0 11 -3,-1.5 3,-1.5 -4,-0.4 -1,-0.3 0.754 79.9 77.5 -61.9 -21.1 8.7 80.3 87.1 110 119 A E G < S+ 0 0 151 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.738 86.6 58.3 -60.4 -27.2 6.6 78.7 89.8 111 120 A R G < S+ 0 0 89 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.636 84.5 102.7 -80.8 -13.2 4.5 76.9 87.3 112 121 A L S < S- 0 0 19 -3,-1.5 -26,-0.2 -4,-0.3 -27,-0.1 -0.383 74.5-113.6 -72.4 145.8 7.4 75.0 85.6 113 122 A R - 0 0 95 -28,-2.6 -1,-0.1 1,-0.1 5,-0.1 -0.315 41.5 -88.1 -61.7 157.3 8.1 71.4 86.3 114 123 A D > - 0 0 91 1,-0.2 3,-1.9 -2,-0.0 4,-0.4 -0.564 40.8-129.2 -63.2 129.3 11.2 70.3 88.2 115 124 A P G > S+ 0 0 16 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.788 102.3 69.4 -60.3 -27.4 13.7 69.9 85.3 116 125 A E G 3 S+ 0 0 150 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.677 98.1 50.5 -63.1 -17.6 14.7 66.4 86.4 117 126 A V G <> S+ 0 0 59 -3,-1.9 4,-1.0 1,-0.1 3,-0.4 0.499 85.9 88.8 -97.3 -5.1 11.3 65.1 85.4 118 127 A V H X> S+ 0 0 0 -3,-1.2 4,-0.8 -4,-0.4 3,-0.8 0.899 80.1 57.8 -61.6 -42.9 11.3 66.5 81.9 119 128 A A H >4 S+ 0 0 19 -4,-0.5 3,-0.9 1,-0.3 -1,-0.2 0.883 103.2 55.0 -57.4 -37.5 13.0 63.6 80.2 120 129 A S H >4 S+ 0 0 90 -3,-0.4 3,-0.7 1,-0.2 -1,-0.3 0.805 105.6 52.5 -64.2 -29.9 10.2 61.3 81.5 121 130 A E H << S+ 0 0 86 -4,-1.0 3,-0.3 -3,-0.8 -1,-0.2 0.606 105.9 56.0 -75.5 -16.4 7.7 63.7 79.8 122 131 A L T XX + 0 0 0 -3,-0.9 3,-1.4 -4,-0.8 4,-1.4 0.040 65.2 120.9-106.2 17.3 9.7 63.4 76.4 123 132 A G H <> + 0 0 26 -3,-0.7 4,-2.4 1,-0.3 -1,-0.2 0.830 67.9 64.7 -49.3 -34.6 9.5 59.6 76.2 124 133 A Y H 3> S+ 0 0 36 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.823 99.0 52.8 -60.5 -33.7 7.7 60.0 72.8 125 134 A V H <> S+ 0 0 2 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.929 108.9 48.7 -64.5 -47.7 10.8 61.6 71.4 126 135 A F H X S+ 0 0 40 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.891 109.2 53.6 -62.0 -37.9 13.0 58.7 72.5 127 136 A Q H X S+ 0 0 122 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 109.1 48.9 -60.6 -43.5 10.4 56.3 71.0 128 137 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.880 111.2 50.1 -61.7 -42.7 10.7 58.1 67.7 129 138 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.935 111.2 47.4 -62.9 -46.8 14.5 58.0 67.8 130 139 A T H X S+ 0 0 55 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.947 114.2 47.2 -62.0 -45.3 14.6 54.3 68.5 131 140 A L H X S+ 0 0 34 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.922 113.9 46.8 -61.2 -46.3 12.1 53.5 65.8 132 141 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.905 109.5 53.7 -65.5 -42.0 13.9 55.7 63.2 133 142 A R H X>S+ 0 0 47 -4,-2.9 4,-0.9 1,-0.2 5,-0.6 0.933 112.6 45.1 -59.3 -42.1 17.3 54.2 64.1 134 143 A Q H ><5S+ 0 0 91 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.950 114.7 46.8 -65.0 -48.7 15.9 50.7 63.5 135 144 A R H 3<5S+ 0 0 125 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 103.2 61.5 -69.2 -31.6 14.2 51.7 60.2 136 145 A L H ><5S- 0 0 11 -4,-2.9 3,-2.1 -5,-0.2 -1,-0.3 0.779 91.1-156.6 -62.4 -29.1 17.2 53.5 58.9 137 146 A A T <<5 - 0 0 56 -4,-0.9 -3,-0.1 -3,-0.8 -133,-0.1 0.822 63.6 -53.7 61.4 34.7 18.9 50.1 59.1 138 147 A G T 3 - 0 0 0 60,-2.5 4,-2.4 -2,-0.3 5,-0.3 -0.365 33.6-105.0 -68.7 155.4 20.0 76.0 73.5 149 158 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.911 117.7 47.7 -50.6 -49.8 18.9 77.5 76.8 150 159 A W H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.951 111.9 50.4 -60.1 -46.3 18.9 81.2 75.7 151 160 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 112.4 46.9 -59.6 -42.0 16.9 80.4 72.5 152 161 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 108.7 55.8 -65.4 -39.7 14.3 78.5 74.5 153 162 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 5,-0.4 0.915 103.0 56.3 -56.0 -42.1 14.1 81.3 77.0 154 163 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.4 0.907 108.9 45.1 -64.1 -39.4 13.3 83.7 74.2 155 164 A Y H X S+ 0 0 35 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.899 113.1 51.4 -65.3 -39.5 10.3 81.6 73.1 156 165 A M H < S+ 0 0 0 -4,-2.1 -53,-2.5 2,-0.2 -2,-0.2 0.852 120.2 33.2 -68.6 -32.2 9.1 81.2 76.7 157 166 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -55,-0.2 -1,-0.2 0.859 124.0 42.3 -90.7 -45.2 9.3 84.9 77.4 158 167 A E H < S- 0 0 34 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.813 98.8-133.6 -72.7 -32.8 8.3 86.4 74.0 159 168 A G S < S- 0 0 10 -4,-2.0 -60,-2.0 -5,-0.4 2,-0.3 0.576 74.6 -13.1 87.8 15.4 5.6 83.8 73.5 160 169 A G B S-I 98 0B 6 -6,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.977 110.0 -17.1 156.6-166.8 6.8 83.1 70.0 161 170 A G - 0 0 55 -64,-0.5 2,-0.3 -2,-0.3 -65,-0.0 -0.192 57.2-174.6 -58.8 159.0 9.1 84.5 67.3 162 171 A S - 0 0 37 1,-0.1 -3,-0.0 3,-0.0 -4,-0.0 -0.977 31.7-142.7-159.8 146.6 10.3 88.1 67.5 163 172 A S S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.701 104.3 18.8 -83.9 -20.5 12.3 90.6 65.5 164 173 A T S S- 0 0 77 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.556 81.8-137.9-122.1 -19.1 14.1 92.2 68.4 165 174 A M > + 0 0 1 1,-0.1 4,-3.0 3,-0.1 5,-0.3 0.804 48.5 154.1 53.0 34.6 13.8 89.8 71.4 166 175 A A H > + 0 0 55 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.844 66.1 47.0 -63.5 -38.4 13.1 93.0 73.4 167 176 A Q H > S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.893 115.3 45.1 -69.5 -42.1 11.1 91.3 76.2 168 177 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.904 115.0 47.8 -69.3 -40.9 13.6 88.5 76.6 169 178 A K H X S+ 0 0 60 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.861 105.0 59.6 -68.6 -30.2 16.5 91.0 76.6 170 179 A R H X>S+ 0 0 139 -4,-1.8 4,-3.3 -5,-0.3 5,-0.5 0.895 103.5 53.3 -62.6 -38.2 14.6 93.2 79.1 171 180 A W H X5S+ 0 0 5 -4,-1.5 4,-2.3 3,-0.2 8,-0.3 0.932 106.9 51.6 -57.7 -47.0 14.7 90.1 81.4 172 181 A L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 119.7 33.8 -59.3 -40.5 18.5 89.9 81.0 173 182 A Y H <5S+ 0 0 163 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.868 132.5 27.6 -83.7 -37.8 19.0 93.6 81.9 174 183 A Q H <5S+ 0 0 127 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.697 132.2 32.1 -97.4 -27.8 16.2 94.1 84.5 175 184 A R X< + 0 0 87 -4,-2.3 4,-2.5 -5,-0.5 5,-0.2 -0.431 66.4 149.6-124.8 55.1 15.8 90.5 85.9 176 185 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 75.4 50.3 -59.4 -39.8 19.4 89.0 85.7 177 186 A Q H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.954 113.3 43.9 -59.8 -53.6 18.8 86.7 88.7 178 187 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 112.4 55.6 -63.7 -35.1 15.5 85.3 87.5 179 188 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 -8,-0.3 -1,-0.2 0.939 108.2 46.0 -62.9 -47.7 17.1 85.0 84.0 180 189 A H H X S+ 0 0 69 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.875 111.5 53.9 -62.3 -38.5 20.0 82.9 85.3 181 190 A Q H X S+ 0 0 93 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 112.3 43.4 -57.7 -48.4 17.4 80.8 87.3 182 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 112.5 51.8 -66.4 -43.6 15.4 80.1 84.1 183 192 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.892 110.5 49.3 -63.6 -33.2 18.5 79.4 82.1 184 193 A R H X S+ 0 0 92 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.920 108.3 52.8 -72.0 -37.4 19.6 76.9 84.7 185 194 A I H X S+ 0 0 25 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.937 112.0 47.0 -61.2 -46.5 16.2 75.2 84.8 186 195 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.927 111.8 48.8 -64.9 -39.9 16.5 74.8 81.0 187 196 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.921 110.8 51.5 -62.9 -45.2 20.1 73.5 81.1 188 197 A D H < S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.744 113.4 44.6 -68.6 -23.3 19.0 71.0 83.8 189 198 A A H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.3 -2,-0.2 0.828 112.2 52.9 -80.9 -42.0 16.1 69.8 81.6 190 199 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.862 99.7 60.7 -64.0 -40.3 18.2 69.7 78.5 191 200 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.969 109.0 38.9 -60.3 -55.6 21.0 67.5 79.8 192 201 A P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.841 116.1 54.8 -63.6 -30.0 18.9 64.4 80.7 193 202 A Y H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.949 110.7 43.9 -64.2 -48.0 16.8 64.9 77.5 194 203 A L H X S+ 0 0 1 -4,-3.0 4,-1.7 2,-0.2 5,-0.2 0.913 113.7 51.0 -62.4 -44.0 19.9 64.9 75.3 195 204 A V H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.3 3,-0.4 0.951 109.0 51.8 -58.7 -44.9 21.4 62.0 77.2 196 205 A G H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.838 104.0 57.3 -61.5 -35.8 18.1 60.1 76.7 197 206 A Q H <>S+ 0 0 1 -4,-1.9 5,-2.7 2,-0.2 4,-0.5 0.873 109.5 45.3 -61.5 -40.5 18.2 60.8 73.0 198 207 A V H ><5S+ 0 0 17 -4,-1.7 3,-1.0 -3,-0.4 -2,-0.2 0.918 111.4 51.7 -69.1 -42.3 21.6 59.1 72.8 199 208 A V H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.898 109.2 52.5 -57.4 -39.3 20.4 56.2 74.9 200 209 A A T 3<5S- 0 0 10 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.592 137.0 -79.7 -74.9 -15.2 17.4 55.9 72.5 201 210 A G T < 5S+ 0 0 1 -3,-1.0 -59,-0.3 -4,-0.5 -3,-0.2 0.379 75.2 147.2 132.9 -3.3 19.8 55.7 69.5 202 211 A A < - 0 0 3 -5,-2.7 -1,-0.3 1,-0.1 -59,-0.2 -0.354 27.0-165.9 -62.9 134.9 21.0 59.2 68.4 203 212 A Q S S+ 0 0 23 -61,-2.9 2,-0.3 1,-0.2 -60,-0.2 0.425 72.4 12.8-103.3 -4.4 24.5 59.1 67.0 204 213 A A E -c 143 0A 0 -62,-0.8 -60,-2.9 43,-0.2 2,-0.4 -0.937 69.2-140.5-162.8 161.5 25.2 62.8 67.1 205 214 A L E -cd 144 249A 2 43,-2.1 45,-2.7 -2,-0.3 2,-0.5 -0.997 7.2-163.3-133.2 136.1 23.6 65.8 68.8 206 215 A Q E -cd 145 250A 1 -62,-2.2 -60,-1.7 -2,-0.4 2,-0.5 -0.972 6.1-156.9-121.5 131.5 23.0 69.4 67.5 207 216 A L E -cd 146 251A 3 43,-2.9 45,-2.3 -2,-0.5 2,-0.8 -0.931 13.4-146.8-106.1 123.2 22.2 72.3 69.8 208 217 A F E +cd 147 252A 13 -62,-2.5 -60,-2.5 -2,-0.5 2,-0.8 -0.844 20.9 178.0 -97.9 107.2 20.4 75.1 68.1 209 218 A E E > + d 0 253A 0 43,-2.7 3,-1.4 -2,-0.8 45,-0.7 -0.611 19.7 160.3 -98.3 70.3 21.2 78.6 69.4 210 219 A S T 3 + 0 0 26 -2,-0.8 3,-0.2 1,-0.3 -1,-0.2 0.639 68.3 49.2 -66.2 -25.5 18.9 80.2 66.7 211 220 A H T > S+ 0 0 22 1,-0.2 3,-1.1 -3,-0.2 4,-0.3 0.119 74.6 111.8-108.2 22.2 18.5 83.5 68.6 212 221 A A G X> + 0 0 0 -3,-1.4 3,-2.0 1,-0.2 4,-0.7 0.846 66.4 66.6 -57.4 -38.8 22.2 84.1 69.4 213 222 A G G 34 S+ 0 0 31 41,-1.1 -1,-0.2 1,-0.3 42,-0.1 0.632 87.8 64.8 -71.0 -15.7 22.5 87.1 67.1 214 223 A H G <4 S+ 0 0 57 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.677 98.8 58.4 -74.1 -19.9 20.2 89.3 69.0 215 224 A L T <4 S- 0 0 13 -3,-2.0 4,-0.5 -4,-0.3 -2,-0.2 0.899 80.6-153.9 -85.0 -45.1 22.6 89.3 72.0 216 225 A G X - 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