==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-AUG-01 1JPK . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.PHILLIPS,T.L.PARKER,H.L.SCHUBERT,F.G.WHITBY,C.P.HILL, . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 37.0 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 1 1 2 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 1 1 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 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 . 0 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 10 A G 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.1 21.6 46.6 69.1 2 11 A F - 0 0 61 1,-0.1 132,-0.1 135,-0.0 3,-0.1 -0.700 360.0 -75.9-113.1 167.2 21.1 48.7 66.0 3 12 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 135,-0.2 -0.322 56.4-101.9 -64.4 146.3 22.1 48.1 62.4 4 13 A E - 0 0 177 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.495 41.6-104.7 -70.2 136.5 25.8 48.7 61.7 5 14 A L - 0 0 36 -2,-0.2 3,-0.2 1,-0.1 134,-0.2 -0.419 34.1-176.0 -65.8 128.5 26.5 52.0 60.0 6 15 A K S S+ 0 0 174 132,-3.6 2,-0.8 1,-0.3 133,-0.2 0.926 74.6 36.2 -88.9 -59.3 27.4 51.6 56.3 7 16 A N + 0 0 44 132,-1.4 -1,-0.3 131,-0.7 3,-0.2 -0.868 60.3 161.1-101.1 109.6 28.2 55.2 55.2 8 17 A D >> + 0 0 58 -2,-0.8 4,-2.2 -3,-0.2 3,-0.6 0.169 34.3 118.6-112.4 17.2 30.0 57.0 58.0 9 18 A T H 3> S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.883 75.8 54.8 -49.4 -43.8 31.5 59.9 55.9 10 19 A F H 3> S+ 0 0 0 60,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.867 109.5 45.8 -58.2 -43.6 29.5 62.4 57.9 11 20 A L H <> S+ 0 0 28 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.876 111.3 51.3 -69.8 -39.0 30.8 61.2 61.3 12 21 A R H <>S+ 0 0 64 -4,-2.2 5,-3.1 2,-0.2 4,-0.4 0.919 111.4 46.9 -65.7 -41.9 34.5 61.0 60.1 13 22 A A H ><5S+ 0 0 2 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.886 109.1 56.7 -65.7 -37.0 34.4 64.6 58.8 14 23 A A H 3<5S+ 0 0 1 -4,-1.6 277,-0.3 1,-0.3 -1,-0.2 0.830 107.2 47.2 -62.9 -36.3 32.7 65.6 62.1 15 24 A W T 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.481 125.8-104.4 -83.5 -4.0 35.6 64.2 64.1 16 25 A G T < 5S+ 0 0 25 -3,-1.1 -3,-0.2 -4,-0.4 307,-0.2 0.589 72.0 143.4 93.0 13.2 38.0 66.0 61.7 17 26 A E < - 0 0 106 -5,-3.1 -1,-0.3 -6,-0.2 2,-0.2 -0.442 55.3-101.7 -85.3 158.6 39.2 63.0 59.6 18 27 A E - 0 0 107 -2,-0.1 2,-0.3 304,-0.1 -1,-0.1 -0.533 41.4-167.1 -76.5 146.1 39.9 63.0 55.9 19 28 A T - 0 0 11 302,-0.3 3,-0.0 -2,-0.2 -10,-0.0 -0.925 35.0-115.9-134.9 159.2 37.2 61.6 53.6 20 29 A D S S- 0 0 121 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.731 100.0 -2.2 -64.6 -23.8 36.8 60.5 50.0 21 30 A Y S S- 0 0 23 335,-0.1 328,-0.1 334,-0.0 329,-0.1 -0.941 88.1 -83.4-156.7 172.2 34.3 63.3 49.5 22 31 A T - 0 0 1 326,-0.4 303,-0.1 -2,-0.3 330,-0.1 -0.772 42.7-133.3 -90.2 122.8 32.5 66.0 51.4 23 32 A P - 0 0 0 0, 0.0 303,-2.2 0, 0.0 2,-0.3 -0.443 26.2-165.9 -71.7 149.7 29.4 64.8 53.2 24 33 A V B +a 326 0A 0 301,-0.2 46,-3.1 44,-0.2 47,-0.4 -0.995 19.8 155.7-143.5 145.1 26.3 66.9 52.8 25 34 A W - 0 0 0 301,-1.2 2,-0.4 -2,-0.3 303,-0.3 -0.947 30.6-125.1-156.3 161.4 22.9 67.4 54.4 26 35 A C > - 0 0 0 -2,-0.3 3,-1.6 45,-0.2 4,-0.2 -0.967 19.6-120.1-122.8 132.3 20.3 70.2 54.7 27 36 A M T 3 S+ 0 0 7 -2,-0.4 305,-1.7 1,-0.3 303,-0.1 -0.479 108.0 17.4 -64.0 132.8 18.7 71.8 57.7 28 37 A R T 3 S+ 0 0 128 303,-0.2 -1,-0.3 -2,-0.1 5,-0.3 0.781 76.6 149.9 71.0 30.6 15.0 71.2 57.2 29 38 A Q S < S+ 0 0 3 -3,-1.6 2,-1.1 1,-0.2 -2,-0.1 0.810 73.6 57.4 -61.4 -27.5 15.6 68.5 54.6 30 39 A A S S+ 0 0 10 -4,-0.2 2,-0.3 32,-0.1 -1,-0.2 -0.864 95.0 123.0-100.0 90.3 12.3 67.1 56.0 31 40 A G S > S- 0 0 9 -2,-1.1 3,-2.5 28,-0.1 6,-0.3 -0.959 79.6 -85.2-148.5 172.2 10.3 70.3 55.3 32 41 A R T 3 S+ 0 0 127 -2,-0.3 6,-0.2 1,-0.3 301,-0.1 0.594 109.2 79.7 -54.5 -14.6 7.4 71.9 53.5 33 42 A Y T 3 S+ 0 0 3 -5,-0.3 -1,-0.3 299,-0.1 3,-0.1 0.758 84.8 74.6 -66.7 -20.8 9.3 72.2 50.3 34 43 A L S X> S- 0 0 0 -3,-2.5 4,-1.2 1,-0.1 3,-1.0 -0.819 76.1-149.1 -94.6 124.5 8.5 68.5 49.8 35 44 A P H >> S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.923 99.3 57.5 -57.3 -43.7 4.9 67.7 48.8 36 45 A E H 3> S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.761 101.3 59.2 -59.1 -25.3 5.0 64.4 50.6 37 46 A F H <> S+ 0 0 8 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.906 105.0 46.3 -70.2 -45.8 5.9 66.3 53.8 38 47 A R H < S+ 0 0 33 -4,-1.9 3,-1.2 1,-0.2 4,-0.2 0.882 115.0 50.9 -62.6 -40.4 2.0 63.4 56.0 41 50 A R H >< S+ 0 0 19 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.811 98.6 67.6 -68.4 -27.6 1.8 66.5 58.2 42 51 A A T 3< S+ 0 0 79 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.361 72.6 93.6 -76.0 7.0 -1.8 67.0 57.2 43 52 A A T < S- 0 0 73 -3,-1.2 -1,-0.2 2,-0.1 2,-0.2 0.929 107.0 -34.1 -63.8 -46.0 -2.8 63.8 59.1 44 53 A Q S < S- 0 0 129 -3,-0.9 4,-0.1 1,-0.3 -1,-0.1 -0.701 92.8 -43.7-151.9-159.5 -3.6 65.8 62.2 45 54 A D >> - 0 0 92 -2,-0.2 4,-1.4 2,-0.1 3,-0.5 -0.107 64.8 -93.3 -72.3 178.4 -2.3 68.9 64.0 46 55 A F G >4 S+ 0 0 56 45,-0.3 2,-2.1 1,-0.3 3,-0.7 0.977 121.5 49.4 -58.3 -60.9 1.3 69.7 64.5 47 56 A F G 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 -0.376 113.7 46.7 -81.6 61.2 1.8 68.1 68.0 48 57 A S G <4 S+ 0 0 22 -2,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.176 106.8 51.2-162.4 -40.6 0.1 64.8 67.0 49 58 A T S << S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.1 0.314 118.4 45.9 -87.6 3.5 1.8 64.1 63.7 50 59 A C S S+ 0 0 2 -4,-0.4 -1,-0.2 -5,-0.2 -3,-0.1 0.615 104.2 57.6-110.4 -36.7 4.9 64.7 65.8 51 60 A R S S+ 0 0 105 -5,-0.2 -2,-0.2 1,-0.1 -4,-0.1 0.376 90.7 87.3 -76.7 -0.2 3.9 62.6 68.8 52 61 A S >> - 0 0 46 1,-0.2 4,-2.4 -4,-0.1 3,-0.6 -0.904 68.0-154.9-105.2 108.5 3.5 59.6 66.5 53 62 A P H 3> S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 95.2 50.3 -47.4 -47.1 6.9 57.7 66.1 54 63 A E H 3> S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.862 111.4 50.0 -62.7 -35.9 5.9 56.2 62.7 55 64 A A H <> S+ 0 0 17 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.929 113.4 43.4 -68.6 -46.7 4.9 59.7 61.5 56 65 A C H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 19,-0.4 0.894 112.9 53.4 -66.5 -38.3 8.2 61.4 62.6 57 66 A C H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.919 109.1 49.6 -61.8 -42.2 10.2 58.4 61.3 58 67 A E H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.885 110.0 49.4 -63.8 -44.3 8.5 58.8 57.9 59 68 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.884 111.5 50.6 -63.1 -38.5 9.2 62.6 57.7 60 69 A T H X S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 13,-0.2 0.930 113.5 44.7 -65.2 -44.1 12.8 61.9 58.6 61 70 A L H X S+ 0 0 23 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.727 93.5 82.3 -74.3 -24.3 13.2 59.3 55.8 62 71 A Q H >X S+ 0 0 2 -4,-1.8 3,-0.9 1,-0.2 4,-0.8 0.869 90.6 45.9 -50.8 -51.2 11.4 61.2 53.1 63 72 A P H >> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-1.0 0.899 107.4 59.8 -63.6 -34.4 14.3 63.4 51.9 64 73 A L H 3< S+ 0 0 10 -4,-0.5 -2,-0.2 1,-0.3 -3,-0.1 0.721 98.7 58.5 -64.3 -21.7 16.6 60.4 51.9 65 74 A R H << S+ 0 0 138 -4,-0.9 -1,-0.3 -3,-0.9 -3,-0.1 0.770 115.2 36.0 -77.6 -26.6 14.4 58.7 49.3 66 75 A R H << S+ 0 0 97 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.1 0.860 123.8 32.5 -91.6 -42.5 14.9 61.7 47.0 67 76 A F S < S- 0 0 10 -4,-3.1 2,-2.2 278,-0.0 -1,-0.2 -0.912 73.3-122.9-125.7 145.1 18.5 62.6 47.6 68 77 A P + 0 0 74 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.377 48.3 174.7 -78.3 59.3 21.7 60.7 48.6 69 78 A L - 0 0 5 -2,-2.2 -44,-0.2 -6,-0.1 3,-0.0 -0.350 34.8-134.3 -66.0 149.4 22.2 62.9 51.7 70 79 A D S S+ 0 0 3 -46,-3.1 -60,-0.5 70,-0.1 2,-0.3 0.349 82.9 20.1 -91.4 8.3 25.0 61.8 54.0 71 80 A A - 0 0 0 -47,-0.4 2,-0.4 69,-0.2 -45,-0.2 -0.975 64.3-139.9-167.5 156.2 23.0 62.1 57.2 72 81 A A E -b 142 0A 0 69,-2.5 71,-3.6 -2,-0.3 2,-0.4 -0.929 13.5-153.0-121.3 146.6 19.4 62.2 58.4 73 82 A I E -b 143 0A 18 -2,-0.4 71,-0.2 -13,-0.2 -43,-0.1 -0.987 29.6-106.5-121.7 132.2 18.2 64.4 61.2 74 83 A I - 0 0 5 69,-2.8 2,-0.5 -2,-0.4 -17,-0.1 -0.314 34.4-120.2 -57.6 133.9 15.3 63.4 63.3 75 84 A F + 0 0 23 -19,-0.4 2,-0.3 53,-0.1 -15,-0.1 -0.698 51.2 144.9 -79.1 132.2 12.1 65.3 62.5 76 85 A S - 0 0 10 -2,-0.5 2,-0.3 -16,-0.0 -26,-0.0 -0.980 45.0-108.6-163.4 158.1 10.8 67.2 65.4 77 86 A D > - 0 0 2 -2,-0.3 3,-1.3 1,-0.1 -2,-0.0 -0.636 27.4-120.4-100.3 139.5 9.1 70.5 66.2 78 87 A I T > S+ 0 0 60 -2,-0.3 3,-0.8 1,-0.2 2,-0.4 0.903 101.1 51.1 -38.4 -76.2 10.7 73.5 67.9 79 88 A L T 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.197 73.3 109.5 -59.8 14.9 8.7 74.0 71.1 80 89 A V H <> S+ 0 0 4 -3,-1.3 4,-2.5 -2,-0.4 -1,-0.2 0.855 79.7 47.2 -61.7 -38.6 8.8 70.5 72.4 81 90 A V H <> S+ 0 0 2 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.954 113.7 44.9 -69.8 -50.9 11.1 71.3 75.3 82 91 A P H 4>S+ 0 0 0 0, 0.0 5,-1.9 0, 0.0 4,-0.2 0.902 115.8 50.9 -58.3 -38.1 9.2 74.4 76.5 83 92 A Q H ><5S+ 0 0 30 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.943 107.3 50.8 -63.1 -48.2 6.0 72.3 76.1 84 93 A A H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.738 104.9 60.5 -62.1 -23.3 7.5 69.4 78.1 85 94 A L T 3<5S- 0 0 0 -4,-1.4 28,-3.2 -5,-0.1 -1,-0.3 0.501 132.1 -88.5 -82.3 -6.5 8.3 72.0 80.8 86 95 A G T < 5S+ 0 0 28 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.510 82.1 132.0 114.9 4.3 4.7 72.9 81.1 87 96 A M < - 0 0 2 -5,-1.9 2,-0.5 1,-0.0 -1,-0.3 -0.728 51.4-127.3 -93.2 140.9 3.9 75.7 78.6 88 97 A E - 0 0 137 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.744 21.1-158.3 -90.3 127.7 0.8 75.4 76.3 89 98 A V - 0 0 20 -2,-0.5 10,-0.2 10,-0.2 2,-0.2 -0.781 12.4-165.7-105.8 145.3 1.3 75.8 72.5 90 99 A T - 0 0 70 8,-2.4 2,-0.6 -2,-0.3 6,-0.2 -0.571 14.6-165.5-128.4 69.1 -1.4 76.8 70.0 91 100 A M - 0 0 43 -2,-0.2 -45,-0.3 4,-0.1 -44,-0.1 -0.391 12.6-179.0 -62.1 105.1 0.2 75.9 66.6 92 101 A V B > -H 96 0B 58 4,-1.3 4,-0.7 -2,-0.6 -2,-0.0 -0.713 35.7-121.9-105.3 156.4 -1.9 77.6 63.9 93 102 A P T 4 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.817 108.0 43.7 -65.8 -32.5 -1.4 77.5 60.1 94 103 A G T 4 S+ 0 0 75 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.980 127.9 20.9 -77.3 -62.2 -1.0 81.2 59.7 95 104 A K T 4 S- 0 0 161 1,-0.2 -4,-0.1 3,-0.0 -1,-0.0 0.950 89.5-162.8 -73.0 -53.5 1.3 82.3 62.5 96 105 A G B < +H 92 0B 14 -4,-0.7 -4,-1.3 -6,-0.2 2,-0.3 -0.916 57.2 35.7 108.9-127.8 2.9 78.9 63.3 97 106 A P S S+ 0 0 47 0, 0.0 64,-0.3 0, 0.0 2,-0.3 -0.495 76.9 162.2 -67.1 120.2 4.8 78.3 66.6 98 107 A S - 0 0 19 -2,-0.3 -8,-2.4 62,-0.1 62,-0.2 -0.986 39.4-159.9-153.4 141.6 3.0 80.1 69.5 99 108 A F - 0 0 5 60,-2.7 -10,-0.2 -2,-0.3 -12,-0.0 -0.939 11.2-163.7-113.6 105.2 2.6 80.4 73.3 100 109 A P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.761 89.8 42.0 -59.9 -25.2 -0.7 82.3 74.1 101 110 A E S S- 0 0 107 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.789 83.9-173.4-126.0 85.8 0.6 82.8 77.6 102 111 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.267 34.6 -97.8 -74.0 163.1 4.3 83.8 77.5 103 112 A L + 0 0 0 53,-2.7 3,-0.1 1,-0.2 56,-0.0 -0.698 57.0 148.8 -80.5 130.7 6.5 84.2 80.5 104 113 A R + 0 0 98 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.561 56.1 47.3-133.1 -32.0 6.7 87.9 81.3 105 114 A E S > S- 0 0 84 1,-0.1 3,-1.0 73,-0.0 -1,-0.3 -0.749 83.4-116.0-112.8 157.9 7.2 88.2 85.1 106 115 A E G > S+ 0 0 90 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.839 114.6 64.3 -61.0 -33.9 9.7 86.3 87.2 107 116 A Q G > S+ 0 0 129 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.781 84.9 75.1 -60.8 -27.4 6.8 84.7 89.0 108 117 A D G X S+ 0 0 38 -3,-1.0 3,-1.0 1,-0.3 -1,-0.3 0.689 79.7 72.9 -60.1 -18.8 5.8 83.0 85.7 109 118 A L G X S+ 0 0 9 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.750 81.1 72.9 -69.0 -22.1 8.8 80.6 86.2 110 119 A E G < S+ 0 0 154 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.727 86.3 61.8 -65.2 -25.9 6.9 78.8 89.0 111 120 A R G < S+ 0 0 97 -3,-1.0 -1,-0.3 -4,-0.3 2,-0.2 0.544 85.3 102.1 -79.5 -4.2 4.5 77.2 86.6 112 121 A L S < S- 0 0 20 -3,-1.5 -26,-0.2 -4,-0.2 2,-0.1 -0.481 75.7-114.9 -80.7 148.7 7.4 75.3 84.9 113 122 A R - 0 0 100 -28,-3.2 -1,-0.1 -2,-0.2 5,-0.1 -0.417 40.5 -87.9 -77.3 158.5 8.1 71.7 85.6 114 123 A D > - 0 0 99 1,-0.2 3,-2.4 -2,-0.1 4,-0.3 -0.503 38.7-129.1 -64.4 126.1 11.3 70.5 87.4 115 124 A P G > S+ 0 0 17 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.742 103.3 72.4 -53.1 -20.7 13.8 70.1 84.5 116 125 A E G 3 S+ 0 0 143 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.655 95.9 49.6 -69.7 -17.1 14.5 66.7 85.8 117 126 A V G <> S+ 0 0 59 -3,-2.4 4,-0.8 1,-0.1 -1,-0.2 0.422 85.5 89.3-102.2 0.6 11.2 65.3 84.7 118 127 A V H X> S+ 0 0 0 -3,-1.1 4,-1.1 -4,-0.3 3,-0.8 0.886 79.5 59.0 -64.7 -42.5 11.3 66.7 81.1 119 128 A A H >4 S+ 0 0 24 -4,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.873 104.1 51.7 -55.7 -40.8 13.0 63.6 79.6 120 129 A S H >4 S+ 0 0 91 1,-0.2 3,-0.6 -4,-0.2 -1,-0.3 0.756 107.6 53.7 -68.8 -24.4 10.1 61.4 80.7 121 130 A E H << S+ 0 0 82 -3,-0.8 3,-0.3 -4,-0.8 -1,-0.2 0.696 106.8 52.2 -81.1 -20.6 7.8 63.8 79.0 122 131 A L T XX + 0 0 0 -4,-1.1 3,-1.7 -3,-0.5 4,-1.2 0.146 68.8 120.6-103.3 20.9 9.7 63.6 75.7 123 132 A G H <> + 0 0 19 -3,-0.6 4,-2.0 1,-0.3 -1,-0.2 0.779 67.1 64.5 -54.2 -31.3 9.6 59.8 75.5 124 133 A Y H 3> S+ 0 0 24 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.805 99.7 52.7 -64.5 -29.9 7.8 60.0 72.2 125 134 A V H <> S+ 0 0 4 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.927 108.0 50.7 -69.7 -43.5 10.8 61.7 70.6 126 135 A F H X S+ 0 0 37 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.879 109.5 51.0 -60.6 -39.7 13.1 58.9 71.8 127 136 A Q H X S+ 0 0 118 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.873 109.2 50.1 -66.8 -39.0 10.8 56.3 70.3 128 137 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.877 110.6 51.1 -67.4 -37.1 10.7 58.0 67.0 129 138 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 111.5 45.4 -65.1 -48.8 14.5 58.2 67.0 130 139 A T H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 114.6 49.2 -60.0 -47.3 15.0 54.4 67.8 131 140 A L H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.909 112.6 47.2 -59.5 -44.3 12.4 53.6 65.2 132 141 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.870 110.6 51.9 -65.9 -38.9 14.1 55.8 62.6 133 142 A R H X>S+ 0 0 44 -4,-2.5 4,-0.8 67,-0.2 5,-0.7 0.891 112.9 46.1 -64.1 -40.0 17.6 54.3 63.5 134 143 A Q H ><5S+ 0 0 96 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.947 115.2 45.6 -66.7 -49.2 16.1 50.8 63.0 135 144 A R H 3<5S+ 0 0 125 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.753 104.1 61.5 -67.7 -28.8 14.4 51.7 59.7 136 145 A L H ><5S- 0 0 9 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.795 90.9-154.1 -67.0 -27.2 17.4 53.6 58.3 137 146 A A T <<5 - 0 0 58 -4,-0.8 -3,-0.1 -3,-0.7 -133,-0.1 0.815 63.4 -59.2 56.6 34.9 19.2 50.2 58.6 138 147 A G T 3 - 0 0 0 60,-3.1 4,-2.4 -2,-0.3 5,-0.2 -0.320 34.0-103.5 -70.7 156.5 20.0 76.2 72.7 149 158 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.840 118.4 47.7 -47.0 -49.2 18.8 77.7 76.1 150 159 A W H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 113.1 48.0 -62.0 -49.6 18.8 81.4 74.9 151 160 A T H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 112.7 48.8 -59.2 -37.8 16.9 80.6 71.7 152 161 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.891 109.1 54.4 -69.2 -36.3 14.3 78.5 73.7 153 162 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.880 103.4 55.6 -63.2 -39.1 14.1 81.4 76.2 154 163 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-0.4 0.883 108.3 47.9 -62.5 -37.2 13.2 83.8 73.3 155 164 A Y H X S+ 0 0 29 -4,-1.4 4,-1.6 1,-0.2 -56,-0.2 0.895 113.3 48.2 -69.4 -38.4 10.3 81.6 72.3 156 165 A M H < S+ 0 0 0 -4,-1.9 -53,-2.7 2,-0.2 -2,-0.2 0.793 120.9 34.3 -71.5 -33.8 9.0 81.4 75.9 157 166 A V H < S+ 0 0 0 -4,-2.2 -2,-0.2 -55,-0.2 -3,-0.2 0.844 124.1 41.4 -89.9 -41.1 9.2 85.1 76.6 158 167 A E H < S- 0 0 29 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.819 98.2-136.4 -75.1 -31.9 8.3 86.5 73.2 159 168 A G S < S- 0 0 6 -4,-1.6 -60,-2.7 -5,-0.4 2,-0.3 0.288 74.8 -14.6 91.0 -8.6 5.6 83.8 72.7 160 169 A G S S- 0 0 10 -6,-0.4 -1,-0.2 -62,-0.2 -2,-0.2 -0.896 110.0 -14.2 175.5-147.3 6.8 83.3 69.2 161 170 A G + 0 0 63 -64,-0.3 2,-0.3 -2,-0.3 -1,-0.0 -0.346 52.0 176.4 -81.0 161.4 8.9 85.0 66.6 162 171 A S - 0 0 41 -2,-0.1 -4,-0.0 1,-0.1 -3,-0.0 -0.973 34.0-139.9-160.4 149.7 10.2 88.5 66.7 163 172 A S S S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.602 106.6 23.0 -89.1 -10.3 12.5 90.7 64.6 164 173 A T S S- 0 0 75 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.600 82.1-140.4-127.3 -21.6 14.1 92.3 67.7 165 174 A M > + 0 0 0 1,-0.1 4,-3.3 3,-0.1 5,-0.3 0.805 46.9 155.0 57.2 30.3 13.7 89.9 70.6 166 175 A A H > + 0 0 54 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.803 66.4 48.1 -57.8 -36.1 13.1 93.2 72.6 167 176 A Q H > S+ 0 0 52 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.894 115.6 43.9 -72.6 -42.3 11.0 91.4 75.3 168 177 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.918 115.9 47.6 -68.0 -44.2 13.5 88.7 75.8 169 178 A K H X S+ 0 0 58 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.811 105.6 59.1 -68.2 -29.0 16.5 91.1 75.7 170 179 A R H X S+ 0 0 118 -4,-1.4 4,-3.0 -5,-0.3 5,-0.5 0.848 102.5 55.0 -67.1 -32.7 14.6 93.4 78.2 171 180 A W H X S+ 0 0 3 -4,-1.1 4,-2.4 -3,-0.3 8,-0.3 0.927 106.3 51.1 -64.0 -42.8 14.6 90.3 80.5 172 181 A L H < S+ 0 0 3 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.925 118.8 35.6 -61.4 -44.1 18.4 90.2 80.1 173 182 A Y H < S+ 0 0 166 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.856 130.8 29.2 -79.2 -37.7 18.9 93.8 81.0 174 183 A Q H < S+ 0 0 136 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.787 131.8 30.3 -93.5 -33.1 16.1 94.3 83.6 175 184 A R X + 0 0 67 -4,-2.4 4,-2.5 -5,-0.5 5,-0.2 -0.451 65.6 153.3-124.5 57.2 15.9 90.8 85.1 176 185 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.886 76.7 49.4 -54.6 -39.9 19.4 89.4 84.8 177 186 A Q H > S+ 0 0 170 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.948 112.9 44.9 -63.5 -51.4 18.9 87.0 87.8 178 187 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.832 112.0 54.8 -61.9 -34.5 15.5 85.6 86.6 179 188 A S H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.3 -1,-0.2 0.922 108.6 46.6 -65.6 -46.1 17.1 85.3 83.1 180 189 A H H X S+ 0 0 63 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.864 111.4 53.2 -64.2 -36.0 20.0 83.2 84.5 181 190 A Q H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.952 112.4 43.7 -63.3 -48.5 17.5 81.1 86.5 182 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 112.6 51.9 -63.2 -43.7 15.4 80.4 83.3 183 192 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.823 110.5 49.4 -63.3 -32.4 18.5 79.7 81.2 184 193 A R H X S+ 0 0 89 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.895 108.9 51.5 -73.0 -41.6 19.7 77.2 83.9 185 194 A I H X S+ 0 0 25 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.919 111.3 49.1 -59.5 -43.7 16.3 75.5 84.0 186 195 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.5 0.878 110.8 49.4 -64.4 -38.0 16.5 75.2 80.2 187 196 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.925 108.5 52.4 -67.8 -44.7 20.0 73.7 80.4 188 197 A D H < S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.612 113.9 45.2 -66.6 -14.8 19.1 71.1 83.0 189 198 A A H X S+ 0 0 0 -4,-0.7 4,-1.4 -3,-0.5 -1,-0.2 0.796 111.2 51.4 -95.5 -37.8 16.2 70.0 80.8 190 199 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.880 102.3 59.2 -67.0 -42.0 18.3 69.9 77.5 191 200 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.962 111.0 39.0 -54.3 -59.0 21.1 67.8 78.9 192 201 A P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.829 116.7 53.8 -63.0 -28.9 18.9 64.8 79.8 193 202 A Y H X S+ 0 0 3 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.955 112.6 41.5 -68.3 -49.7 16.9 65.3 76.7 194 203 A L H X S+ 0 0 2 -4,-3.3 4,-1.4 2,-0.2 -1,-0.2 0.856 114.5 51.7 -66.1 -37.4 20.0 65.2 74.4 195 204 A V H X S+ 0 0 20 -4,-2.6 4,-2.4 -5,-0.3 3,-0.4 0.931 108.5 52.8 -65.4 -40.1 21.5 62.3 76.4 196 205 A G H X S+ 0 0 14 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.828 104.1 56.0 -64.1 -33.5 18.2 60.5 75.9 197 206 A Q H <>S+ 0 0 0 -4,-1.6 5,-2.7 2,-0.2 -1,-0.2 0.852 109.2 45.9 -67.0 -36.0 18.3 61.1 72.2 198 207 A V H ><5S+ 0 0 14 -4,-1.4 3,-1.6 -3,-0.4 -2,-0.2 0.920 110.7 52.8 -72.2 -42.0 21.7 59.4 72.0 199 208 A V H 3<5S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.837 108.4 52.5 -60.0 -32.8 20.5 56.5 74.2 200 209 A A T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.2 -67,-0.2 0.513 137.6 -80.5 -81.4 -8.0 17.6 56.1 71.8 201 210 A G T < 5S+ 0 0 0 -3,-1.6 -59,-0.3 1,-0.3 -3,-0.2 0.495 75.2 148.1 125.7 -0.2 20.0 55.9 68.8 202 211 A A < - 0 0 3 -5,-2.7 -1,-0.3 1,-0.1 -59,-0.2 -0.518 26.4-166.5 -68.4 133.0 21.1 59.4 67.8 203 212 A Q S S+ 0 0 21 -61,-3.1 2,-0.3 -2,-0.2 -60,-0.2 0.412 71.0 14.9-101.8 0.8 24.7 59.2 66.4 204 213 A A E -c 143 0A 0 -62,-0.8 -60,-3.0 43,-0.2 2,-0.4 -0.956 69.2-140.7-163.6 162.8 25.3 63.0 66.4 205 214 A L E -cd 144 249A 2 43,-2.2 45,-3.0 -2,-0.3 2,-0.4 -0.998 6.6-164.5-140.1 136.7 23.8 66.1 68.0 206 215 A Q E -cd 145 250A 2 -62,-2.0 -60,-1.5 -2,-0.4 2,-0.6 -0.976 6.7-157.1-123.1 129.9 23.1 69.6 66.8 207 216 A L E -cd 146 251A 4 43,-3.2 45,-2.4 -2,-0.4 2,-0.6 -0.936 13.1-149.5-105.1 121.4 22.3 72.5 69.1 208 217 A F E +cd 147 252A 25 -62,-2.4 -60,-3.1 -2,-0.6 2,-0.6 -0.858 18.9 179.8 -96.4 114.8 20.5 75.3 67.2 209 218 A E E > + d 0 253A 1 43,-3.8 3,-1.2 -2,-0.6 45,-1.0 -0.681 19.6 164.1-108.1 67.1 21.1 78.8 68.6 210 219 A S T 3 + 0 0 24 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.746 68.5 47.1 -59.1 -30.6 18.8 80.3 66.0 211 220 A H T > S+ 0 0 24 1,-0.2 3,-0.6 -3,-0.2 4,-0.3 -0.130 74.2 115.0-108.2 37.9 18.3 83.7 67.7 212 221 A A G X + 0 0 0 -3,-1.2 3,-1.9 42,-0.4 43,-0.2 0.895 64.8 67.6 -70.3 -41.9 22.0 84.3 68.4 213 222 A G G 3 S+ 0 0 31 41,-1.7 -1,-0.2 -3,-0.3 42,-0.1 0.603 85.9 67.6 -55.7 -20.4 22.2 87.3 66.1 214 223 A H G < S+ 0 0 49 -3,-0.6 -1,-0.3 2,-0.1 2,-0.2 0.734 94.4 68.9 -73.9 -23.9 19.9 89.5 68.3 215 224 A L S < S- 0 0 4 -3,-1.9 -50,-0.0 -4,-0.3 3,-0.0 -0.603 78.3-138.0 -92.8 154.2 22.6 89.6 71.0 216 225 A G > - 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