==== 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 1R3R . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.PHILLIPS,F.G.WHITBY,J.P.KUSHNER,C.P.HILL . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14770.0 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 . 4 1.1 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 3.7 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 . 6 1.7 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 . 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 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 0 107 0, 0.0 132,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 162.5 21.0 48.4 65.6 2 12 A P - 0 0 37 0, 0.0 135,-0.2 0, 0.0 2,-0.2 -0.221 360.0 -99.3 -56.3 147.4 22.1 47.7 62.1 3 13 A E - 0 0 176 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.449 42.6-106.1 -70.5 140.0 25.7 48.3 61.4 4 14 A L - 0 0 37 -2,-0.2 3,-0.2 1,-0.2 134,-0.2 -0.471 32.5-174.0 -71.3 132.7 26.4 51.7 59.7 5 15 A K S S+ 0 0 174 132,-3.6 2,-0.6 1,-0.3 133,-0.2 0.867 75.8 35.2 -93.3 -48.3 27.2 51.3 56.0 6 16 A N + 0 0 38 132,-0.9 -1,-0.3 131,-0.9 3,-0.2 -0.924 61.1 161.5-110.2 107.6 28.1 54.9 55.0 7 17 A D >> + 0 0 69 -2,-0.6 4,-2.2 -3,-0.2 3,-0.6 0.143 35.7 117.1-107.1 15.9 29.9 56.7 57.9 8 18 A T H 3> S+ 0 0 13 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.853 73.5 55.1 -54.4 -40.9 31.4 59.5 55.9 9 19 A F H 3> S+ 0 0 0 60,-0.5 4,-2.0 -3,-0.2 -1,-0.3 0.902 110.3 46.4 -58.7 -42.3 29.5 62.1 57.8 10 20 A L H <> S+ 0 0 26 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.945 110.8 50.7 -70.6 -45.3 30.8 60.9 61.1 11 21 A R H X>S+ 0 0 67 -4,-2.2 5,-2.9 1,-0.2 4,-0.6 0.918 113.1 46.5 -54.9 -46.8 34.4 60.6 60.0 12 22 A A H ><5S+ 0 0 3 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.892 109.2 55.9 -62.5 -41.0 34.2 64.2 58.7 13 23 A A H 3<5S+ 0 0 1 -4,-2.0 277,-0.3 1,-0.3 -2,-0.2 0.882 108.5 46.6 -58.5 -40.3 32.6 65.3 61.9 14 24 A W H 3<5S- 0 0 114 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.581 124.2-107.0 -79.6 -10.2 35.5 63.9 64.0 15 25 A G T <<5 + 0 0 33 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.669 68.8 144.8 95.2 20.3 37.9 65.6 61.5 16 26 A E < - 0 0 100 -5,-2.9 -1,-0.3 -6,-0.2 306,-0.2 -0.550 55.8 -98.9 -86.7 155.9 39.2 62.6 59.6 17 27 A E - 0 0 107 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.466 44.3-174.2 -70.3 140.6 40.1 62.6 56.0 18 28 A T - 0 0 8 302,-0.2 3,-0.0 -2,-0.1 -10,-0.0 -0.927 36.2-116.5-130.5 167.5 37.4 61.2 53.6 19 29 A D S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.527 97.5 6.9 -80.0 -12.3 37.1 60.4 49.9 20 30 A Y S S- 0 0 30 300,-0.1 328,-0.1 -12,-0.1 329,-0.1 -0.966 86.8 -91.3-159.3 167.3 34.4 63.0 49.4 21 31 A T - 0 0 0 326,-0.4 330,-0.1 -2,-0.3 2,-0.1 -0.776 40.9-134.8 -89.0 122.5 32.6 65.7 51.3 22 32 A P - 0 0 0 0, 0.0 303,-2.3 0, 0.0 2,-0.4 -0.473 25.4-163.4 -75.2 150.3 29.5 64.4 53.0 23 33 A V B +a 325 0A 0 44,-0.2 46,-2.9 301,-0.2 47,-0.4 -0.990 20.3 159.5-140.7 141.3 26.4 66.6 52.6 24 34 A W - 0 0 0 301,-1.6 2,-0.4 -2,-0.4 303,-0.3 -0.952 27.9-127.8-146.5 172.4 23.0 67.0 54.2 25 35 A C > - 0 0 0 -2,-0.3 3,-2.0 45,-0.2 4,-0.2 -0.972 19.0-121.5-128.6 128.0 20.4 69.8 54.3 26 36 A M T 3 S+ 0 0 7 -2,-0.4 305,-1.9 303,-0.3 303,-0.1 -0.426 105.9 17.3 -59.7 139.7 18.7 71.4 57.2 27 37 A R T 3 S+ 0 0 109 303,-0.3 -1,-0.3 2,-0.1 303,-0.0 0.664 77.8 150.4 61.2 28.2 14.9 70.9 56.8 28 38 A Q S < S+ 0 0 2 -3,-2.0 2,-0.9 1,-0.2 -2,-0.1 0.809 71.5 57.6 -59.2 -31.2 15.6 68.2 54.2 29 39 A A S S+ 0 0 13 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.906 93.5 113.0 -91.7 103.4 12.3 66.8 55.5 30 40 A G S > S- 0 0 9 -2,-0.9 3,-2.3 28,-0.1 6,-0.3 -0.954 81.7 -75.4-162.1 179.1 10.2 69.8 54.7 31 41 A R T 3 S+ 0 0 137 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.577 109.7 79.5 -64.4 -12.8 7.3 71.4 52.7 32 42 A Y T 3 S+ 0 0 3 299,-0.1 -1,-0.3 304,-0.1 3,-0.1 0.743 85.3 76.5 -66.8 -18.5 9.4 71.8 49.6 33 43 A L S X> S- 0 0 0 -3,-2.3 4,-1.6 1,-0.2 3,-0.7 -0.822 74.2-151.6 -90.3 121.0 8.6 68.0 49.2 34 44 A P H 3> S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.912 100.2 54.1 -57.4 -38.3 5.1 67.2 47.9 35 45 A E H 3> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.799 103.4 56.6 -67.2 -28.3 5.2 63.9 49.8 36 46 A F H <> S+ 0 0 11 -3,-0.7 4,-2.7 -6,-0.3 -1,-0.2 0.933 109.0 45.8 -62.7 -47.7 6.0 65.8 53.0 37 47 A R H X S+ 0 0 94 -4,-1.6 4,-2.3 -7,-0.2 -2,-0.2 0.938 111.4 52.5 -64.4 -43.8 2.9 67.9 52.6 38 48 A E H X S+ 0 0 158 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.953 112.2 45.2 -56.3 -49.8 0.8 64.8 51.8 39 49 A T H >< S+ 0 0 40 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.934 114.8 48.2 -61.1 -44.9 2.0 63.0 54.9 40 50 A R H >< S+ 0 0 45 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.798 94.1 74.0 -67.1 -28.1 1.5 66.1 57.1 41 51 A A H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 87.6 66.7 -59.0 -25.3 -2.0 66.8 55.8 42 52 A A T << S+ 0 0 87 -3,-1.0 2,-0.2 -4,-0.6 -1,-0.2 0.849 111.6 12.6 -60.8 -44.2 -3.2 63.7 57.9 43 53 A Q S < S- 0 0 60 -3,-0.8 2,-0.2 -4,-0.4 0, 0.0 -0.736 85.6 -90.2-125.5 177.3 -2.6 65.3 61.4 44 54 A D > - 0 0 110 -2,-0.2 4,-2.2 1,-0.0 3,-0.5 -0.485 51.7 -96.8 -82.9 165.4 -1.8 68.6 63.0 45 55 A F H > S+ 0 0 26 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.862 120.6 38.7 -58.4 -52.5 1.9 69.5 63.5 46 56 A F H > S+ 0 0 16 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.705 113.6 58.0 -75.1 -20.6 2.6 68.4 67.1 47 57 A S H 4 S+ 0 0 43 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.847 105.3 50.4 -69.3 -39.9 0.4 65.3 66.5 48 58 A T H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 7,-0.4 0.933 107.0 54.3 -60.7 -47.0 2.7 64.4 63.7 49 59 A C H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 105.3 54.8 -58.5 -29.8 5.7 64.9 66.0 50 60 A R T 3< S+ 0 0 123 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.2 0.360 91.0 84.9 -87.9 4.4 4.2 62.4 68.5 51 61 A S <> - 0 0 33 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.921 61.7-161.9-110.4 109.4 3.8 59.6 65.9 52 62 A P H > S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.931 91.7 50.9 -56.5 -43.0 7.0 57.5 65.5 53 63 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 111.3 47.4 -64.7 -42.1 5.8 56.1 62.2 54 64 A A H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 113.6 47.0 -65.6 -42.6 5.1 59.5 60.8 55 65 A C H X S+ 0 0 1 -4,-2.6 4,-2.3 -7,-0.4 19,-0.5 0.905 112.5 50.5 -64.0 -43.1 8.4 61.0 61.9 56 66 A C H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.943 111.2 49.6 -57.3 -46.6 10.3 58.0 60.5 57 67 A E H X S+ 0 0 67 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.931 111.5 46.3 -61.0 -46.9 8.5 58.4 57.2 58 68 A L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 111.0 54.8 -65.1 -38.4 9.2 62.1 56.8 59 69 A T H < S+ 0 0 1 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.901 111.2 44.0 -53.6 -46.5 12.8 61.4 57.8 60 70 A L H >X S+ 0 0 27 -4,-2.0 4,-1.1 1,-0.2 3,-0.7 0.805 93.7 81.7 -73.4 -30.4 13.2 58.8 55.1 61 71 A Q H >X S+ 0 0 3 -4,-1.8 3,-1.2 1,-0.3 4,-1.0 0.880 94.1 43.2 -48.2 -54.4 11.5 60.8 52.3 62 72 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.862 108.5 59.8 -55.5 -38.1 14.5 63.0 51.3 63 73 A L H <4 S+ 0 0 8 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.686 100.3 55.6 -67.8 -25.9 16.7 60.1 51.5 64 74 A R H << S+ 0 0 144 -3,-1.2 -1,-0.2 -4,-1.1 -3,-0.1 0.730 116.1 39.6 -75.6 -26.3 14.6 58.3 48.7 65 75 A R H < S+ 0 0 94 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.1 0.818 123.5 26.8 -91.0 -39.4 15.2 61.3 46.5 66 76 A F S < S- 0 0 10 -4,-3.0 2,-2.2 -5,-0.2 -1,-0.2 -0.982 71.7-122.1-132.5 144.4 18.8 62.2 47.2 67 77 A P + 0 0 74 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.370 47.2 172.3 -79.5 63.6 21.9 60.3 48.4 68 78 A L - 0 0 3 -2,-2.2 -44,-0.2 -6,-0.2 -2,-0.0 -0.410 35.9-133.5 -71.8 150.7 22.3 62.6 51.4 69 79 A D S S+ 0 0 3 -46,-2.9 -60,-0.5 -2,-0.1 2,-0.3 0.338 83.7 28.7 -94.1 6.3 25.1 61.4 53.8 70 80 A A - 0 0 0 -47,-0.4 2,-0.4 69,-0.2 -45,-0.2 -0.980 63.4-146.2-157.2 152.5 22.9 61.9 56.9 71 81 A A E -b 141 0A 0 69,-2.4 71,-2.6 -2,-0.3 2,-0.4 -0.900 14.2-151.6-108.3 151.9 19.3 61.8 58.0 72 82 A I E -b 142 0A 17 -2,-0.4 71,-0.2 -13,-0.2 -43,-0.1 -0.996 28.0-107.4-122.7 135.3 18.0 64.1 60.8 73 83 A I - 0 0 4 69,-2.4 2,-0.6 -2,-0.4 -17,-0.1 -0.266 33.3-115.7 -59.7 139.1 15.0 63.0 62.9 74 84 A F + 0 0 17 -19,-0.5 2,-0.2 53,-0.1 -1,-0.1 -0.702 69.1 105.8 -73.8 122.8 11.8 64.8 62.1 75 85 A S - 0 0 13 -2,-0.6 2,-0.3 -3,-0.0 -25,-0.0 -0.847 60.5-106.7-167.5-161.6 10.8 66.8 65.2 76 86 A N > - 0 0 39 -2,-0.2 3,-1.4 68,-0.1 4,-0.2 -0.991 17.3-126.2-146.8 152.1 10.7 70.4 66.4 77 87 A I T > S+ 0 0 21 -2,-0.3 3,-1.1 1,-0.3 69,-0.4 0.729 103.7 70.6 -70.4 -16.9 12.8 72.4 68.8 78 88 A L T 3> + 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.518 70.0 88.2 -80.2 -3.0 9.7 73.5 70.7 79 89 A V H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.811 85.6 58.9 -62.0 -26.6 9.0 70.0 72.1 80 90 A V H <> S+ 0 0 0 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.969 106.4 41.3 -70.2 -57.4 11.3 71.0 75.0 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 4,-0.3 0.862 115.4 54.4 -56.2 -33.8 9.3 74.1 76.2 82 92 A Q H ><5S+ 0 0 31 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.928 107.9 48.2 -64.6 -42.8 6.1 72.1 75.6 83 93 A A H 3<5S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.720 103.3 62.7 -71.9 -20.4 7.5 69.3 77.9 84 94 A L T 3<5S- 0 0 0 -4,-1.4 28,-2.7 -5,-0.1 -1,-0.3 0.513 131.6 -92.2 -78.7 -5.3 8.4 72.0 80.5 85 95 A G T < 5S+ 0 0 28 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.533 82.5 133.0 111.1 4.7 4.7 72.7 80.7 86 96 A M < - 0 0 4 -5,-2.2 2,-0.5 16,-0.0 -1,-0.3 -0.711 52.9-126.3 -88.3 144.7 4.0 75.5 78.2 87 97 A E - 0 0 136 -2,-0.3 13,-0.4 13,-0.2 2,-0.3 -0.773 30.1-173.4 -91.1 129.7 1.2 75.2 75.8 88 98 A V - 0 0 15 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.746 9.0-170.2-117.7 160.9 2.1 75.7 72.2 89 99 A T E -H 97 0B 61 8,-1.7 8,-2.3 -2,-0.3 2,-0.8 -0.964 24.3-134.7-146.7 149.0 -0.0 75.9 69.0 90 100 A M E -H 96 0B 63 -2,-0.3 -45,-0.2 6,-0.2 3,-0.1 -0.849 35.4-142.0-107.1 88.5 1.0 75.8 65.2 91 101 A V E >> -H 95 0B 52 4,-2.1 3,-3.5 -2,-0.8 4,-1.4 -0.340 29.6 -90.3 -62.6 124.3 -1.2 78.8 64.0 92 102 A P T 34 S- 0 0 112 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.118 104.6 -22.1 -34.3 109.0 -2.8 78.3 60.5 93 103 A G T 34 S+ 0 0 88 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.547 129.8 88.3 58.2 15.3 -0.2 79.8 58.1 94 104 A K T <4 S- 0 0 173 -3,-3.5 -1,-0.1 1,-0.2 -3,-0.1 0.525 83.5-129.3-125.9 -13.2 1.2 81.8 61.0 95 105 A G E < -H 91 0B 26 -4,-1.4 -4,-2.1 64,-0.1 -1,-0.2 -0.211 50.1 -18.1 89.8-176.5 3.8 79.6 62.8 96 106 A P E +H 90 0B 40 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.293 60.4 179.9 -68.5 144.2 4.4 78.5 66.4 97 107 A S E -H 89 0B 38 -8,-2.3 -8,-1.7 62,-0.1 62,-0.2 -0.993 27.0-158.2-142.9 142.0 2.8 80.4 69.2 98 108 A F - 0 0 3 60,-2.0 -10,-0.2 -2,-0.3 -12,-0.0 -0.957 13.3-164.3-109.2 104.6 2.7 80.3 73.0 99 109 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.710 86.0 45.3 -65.2 -19.3 -0.5 82.1 73.8 100 110 A E S S- 0 0 113 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.732 83.4-176.8-122.3 78.0 0.7 82.4 77.4 101 111 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.272 36.8 -98.7 -68.9 158.3 4.4 83.5 77.3 102 112 A L + 0 0 0 53,-2.5 3,-0.1 1,-0.2 56,-0.0 -0.686 53.3 157.3 -71.3 122.5 6.6 83.9 80.3 103 113 A R + 0 0 93 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.616 56.5 35.5-126.2 -21.0 6.6 87.6 81.0 104 114 A E S > S- 0 0 97 1,-0.1 3,-1.4 73,-0.0 4,-0.4 -0.857 82.7-107.4-133.7 169.3 7.5 87.8 84.7 105 115 A E G > S+ 0 0 106 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.846 114.6 61.5 -59.9 -36.8 9.7 86.0 87.0 106 116 A Q G > S+ 0 0 123 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.745 88.5 74.2 -62.9 -24.6 6.8 84.3 88.9 107 117 A D G X S+ 0 0 31 -3,-1.4 3,-1.7 1,-0.3 -1,-0.3 0.777 78.2 74.5 -62.8 -24.3 5.9 82.6 85.6 108 118 A L G X S+ 0 0 11 -3,-1.7 3,-1.7 -4,-0.4 -1,-0.3 0.769 80.3 75.2 -59.4 -23.3 8.8 80.3 86.0 109 119 A E G < S+ 0 0 159 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.717 85.5 61.3 -63.2 -23.6 6.7 78.6 88.8 110 120 A R G < S+ 0 0 105 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.556 84.8 100.9 -84.0 -2.2 4.5 76.9 86.2 111 121 A L S < S- 0 0 21 -3,-1.7 -26,-0.2 -4,-0.2 -27,-0.1 -0.519 74.7-114.5 -80.5 147.0 7.4 74.9 84.6 112 122 A R - 0 0 97 -28,-2.7 -1,-0.1 -2,-0.2 5,-0.1 -0.293 42.9 -86.3 -64.3 157.1 8.1 71.3 85.4 113 123 A D > - 0 0 89 1,-0.1 3,-2.2 2,-0.1 4,-0.4 -0.540 39.7-129.3 -59.9 131.3 11.2 70.2 87.1 114 124 A P G > S+ 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.821 103.9 69.5 -59.7 -29.1 13.7 69.9 84.3 115 125 A E G 3 S+ 0 0 158 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.604 97.9 51.3 -62.9 -15.8 14.6 66.4 85.5 116 126 A V G X> S+ 0 0 60 -3,-2.2 4,-1.0 1,-0.1 3,-0.6 0.536 84.4 88.3 -98.7 -6.2 11.2 65.1 84.4 117 127 A V H X> S+ 0 0 0 -3,-1.4 4,-0.7 -4,-0.4 3,-0.7 0.867 80.1 59.6 -60.6 -40.3 11.3 66.5 80.8 118 128 A A H >4 S+ 0 0 22 -4,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.889 102.4 54.0 -57.9 -37.8 13.0 63.4 79.3 119 129 A S H X4 S+ 0 0 90 -3,-0.6 3,-0.7 1,-0.3 -1,-0.3 0.794 106.2 52.8 -67.4 -28.3 10.1 61.2 80.5 120 130 A E H << S+ 0 0 76 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.3 0.572 104.4 57.6 -78.5 -14.2 7.7 63.6 78.7 121 131 A L T XX + 0 0 0 -3,-1.1 3,-1.6 -4,-0.7 4,-1.3 0.094 64.7 121.1-109.0 20.5 9.6 63.2 75.4 122 132 A G H <> + 0 0 27 -3,-0.7 4,-2.6 1,-0.3 5,-0.2 0.854 69.0 64.2 -46.0 -40.2 9.4 59.4 75.1 123 133 A Y H 3> S+ 0 0 17 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.801 99.5 50.6 -60.6 -33.5 7.7 59.9 71.8 124 134 A V H <> S+ 0 0 2 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.905 110.4 49.5 -69.6 -39.3 10.8 61.5 70.3 125 135 A F H X S+ 0 0 39 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.882 109.0 52.4 -67.8 -36.0 13.0 58.6 71.5 126 136 A Q H X S+ 0 0 123 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.904 110.2 48.9 -67.5 -36.9 10.6 56.1 70.1 127 137 A A H X S+ 0 0 2 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.860 110.7 51.6 -64.0 -41.5 10.8 58.0 66.7 128 138 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.937 111.7 44.6 -63.1 -49.6 14.5 57.9 66.9 129 139 A T H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.947 114.9 48.6 -61.4 -47.0 14.7 54.1 67.6 130 140 A L H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.929 112.9 47.1 -60.5 -45.6 12.3 53.3 64.9 131 141 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.905 110.7 51.7 -66.0 -40.3 14.0 55.5 62.3 132 142 A R H X>S+ 0 0 48 -4,-2.6 4,-0.6 1,-0.2 5,-0.6 0.880 113.3 45.8 -63.4 -39.8 17.4 54.1 63.2 133 143 A Q H ><5S+ 0 0 99 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.919 114.8 46.8 -66.4 -43.5 16.0 50.5 62.7 134 144 A R H 3<5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.872 104.6 59.4 -74.5 -31.8 14.3 51.4 59.5 135 145 A L H ><5S- 0 0 10 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 0.738 91.6-155.0 -66.1 -25.8 17.3 53.2 58.0 136 146 A A T <<5 - 0 0 57 -4,-0.6 -3,-0.1 -3,-0.5 -133,-0.1 0.805 62.8 -53.8 59.2 35.1 19.1 49.9 58.3 137 147 A G T 3 - 0 0 0 60,-2.3 4,-2.7 -2,-0.3 5,-0.2 -0.352 31.4-106.0 -77.1 156.5 19.9 75.9 72.5 148 158 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.903 116.6 45.6 -52.5 -52.9 18.9 77.5 75.8 149 159 A W H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 114.6 48.7 -59.2 -48.0 18.9 81.1 74.7 150 160 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.940 112.1 48.4 -59.7 -42.7 17.0 80.4 71.5 151 161 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.911 109.0 55.2 -63.7 -40.0 14.4 78.3 73.5 152 162 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.889 102.5 56.8 -56.7 -41.6 14.1 81.2 76.0 153 163 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 6,-0.4 0.895 108.4 45.3 -61.7 -40.6 13.3 83.5 73.2 154 164 A Y H X S+ 0 0 37 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.919 113.2 51.5 -66.3 -37.8 10.3 81.5 72.1 155 165 A M H < S+ 0 0 0 -4,-2.1 -53,-2.5 1,-0.2 -2,-0.2 0.832 120.0 32.7 -71.0 -32.2 9.1 81.1 75.7 156 166 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 -55,-0.2 -1,-0.2 0.862 123.8 42.3 -90.3 -45.2 9.3 84.8 76.4 157 167 A E H < S- 0 0 30 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.833 97.6-135.5 -73.7 -31.5 8.4 86.3 73.1 158 168 A G S < S- 0 0 6 -4,-1.9 -60,-2.0 -5,-0.4 2,-0.3 0.527 75.6 -7.9 89.6 9.2 5.6 83.7 72.5 159 169 A G S S- 0 0 10 -6,-0.4 -1,-0.2 -62,-0.2 -2,-0.2 -0.947 109.9 -26.3 163.7-161.7 6.8 83.1 68.9 160 170 A G - 0 0 61 -64,-0.4 2,-0.3 -2,-0.3 3,-0.0 -0.314 54.0-173.3 -74.2 162.6 9.2 84.7 66.4 161 171 A S - 0 0 35 -2,-0.1 -4,-0.0 1,-0.1 -3,-0.0 -0.986 32.0-139.6-157.2 146.6 10.4 88.2 66.6 162 172 A S S S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.630 106.9 20.2 -81.7 -13.4 12.5 90.5 64.4 163 173 A T S S- 0 0 73 -3,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.584 81.9-139.1-126.0 -20.3 14.1 92.1 67.6 164 174 A M > + 0 0 0 1,-0.1 4,-2.6 3,-0.1 5,-0.2 0.868 46.1 157.5 53.6 37.8 13.8 89.7 70.5 165 175 A A H > + 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.809 65.5 46.2 -68.7 -34.0 13.1 92.9 72.4 166 176 A Q H > S+ 0 0 80 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.929 114.6 46.4 -73.0 -46.0 11.2 91.2 75.3 167 177 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.897 115.1 47.2 -63.4 -39.1 13.7 88.3 75.7 168 178 A K H X S+ 0 0 59 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.844 105.6 59.1 -70.2 -32.0 16.6 90.8 75.6 169 179 A R H X S+ 0 0 139 -4,-1.4 4,-2.7 -5,-0.2 5,-0.5 0.864 103.9 52.6 -61.5 -36.1 14.7 93.0 78.1 170 180 A W H X S+ 0 0 6 -4,-1.7 4,-2.3 3,-0.2 8,-0.3 0.937 106.7 53.1 -62.0 -44.0 14.8 90.0 80.4 171 181 A L H < S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 119.6 32.4 -58.2 -39.5 18.6 89.8 80.0 172 182 A Y H < S+ 0 0 159 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.882 132.0 29.7 -87.2 -42.1 19.1 93.4 80.9 173 183 A Q H < S+ 0 0 125 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.697 131.8 30.9 -91.5 -26.4 16.3 94.0 83.5 174 184 A R X + 0 0 83 -4,-2.3 4,-2.4 -5,-0.5 5,-0.2 -0.412 66.7 152.0-130.6 55.3 16.0 90.4 84.9 175 185 A P H > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.882 74.9 48.9 -59.1 -40.0 19.4 88.9 84.7 176 186 A Q H > S+ 0 0 173 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.938 113.2 45.5 -67.1 -45.8 19.0 86.5 87.6 177 187 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.828 111.8 54.3 -65.3 -32.5 15.6 85.2 86.4 178 188 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.3 5,-0.2 0.952 108.7 47.8 -63.6 -50.4 17.1 84.9 82.9 179 189 A H H X S+ 0 0 68 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 111.0 52.2 -56.4 -39.5 20.0 82.8 84.4 180 190 A Q H X S+ 0 0 95 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.944 111.7 45.4 -62.8 -49.3 17.4 80.7 86.3 181 191 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.930 113.1 50.2 -54.1 -50.3 15.4 80.0 83.1 182 192 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.876 110.6 50.1 -62.7 -33.7 18.5 79.2 81.1 183 193 A R H X S+ 0 0 91 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.925 109.1 51.4 -71.1 -41.9 19.6 76.8 83.8 184 194 A I H X S+ 0 0 25 -4,-2.5 4,-1.3 1,-0.2 5,-0.2 0.944 111.9 48.2 -54.2 -48.4 16.2 75.1 83.7 185 195 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 3,-0.4 0.919 111.4 48.7 -60.6 -45.0 16.5 74.8 80.0 186 196 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.8 51.6 -61.2 -44.2 20.0 73.4 80.2 187 197 A D H < S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.691 114.6 44.0 -70.9 -21.0 19.0 70.9 82.8 188 198 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.4 -2,-0.2 0.837 112.3 52.8 -82.2 -39.4 16.1 69.7 80.6 189 199 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.844 101.1 59.7 -67.9 -36.8 18.2 69.6 77.5 190 200 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.973 110.1 38.3 -61.8 -58.4 21.0 67.5 78.8 191 201 A P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.854 116.4 54.7 -61.4 -31.1 18.9 64.4 79.7 192 202 A Y H X S+ 0 0 5 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.973 111.5 43.4 -65.9 -51.9 16.8 64.9 76.6 193 203 A L H X S+ 0 0 2 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.906 113.6 50.7 -59.5 -43.9 19.9 64.9 74.3 194 204 A V H X S+ 0 0 20 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.931 109.6 52.1 -58.0 -46.7 21.4 61.9 76.2 195 205 A G H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.834 103.5 57.2 -63.0 -32.4 18.1 60.1 75.7 196 206 A Q H <>S+ 0 0 1 -4,-1.7 5,-2.8 2,-0.2 4,-0.4 0.897 110.4 44.2 -62.8 -40.5 18.2 60.8 72.0 197 207 A V H ><5S+ 0 0 15 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.944 110.8 53.1 -69.9 -47.3 21.6 59.1 71.8 198 208 A V H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 109.0 52.0 -50.2 -40.1 20.4 56.2 74.0 199 209 A A T 3<5S- 0 0 9 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.581 136.6 -80.3 -77.3 -10.1 17.5 55.8 71.6 200 210 A G T < 5S+ 0 0 1 -3,-1.7 -59,-0.3 -4,-0.4 -3,-0.2 0.375 74.9 146.8 130.7 -7.7 19.8 55.6 68.6 201 211 A A < - 0 0 3 -5,-2.8 -1,-0.3 1,-0.1 -59,-0.2 -0.385 27.9-164.7 -62.6 134.7 21.0 59.1 67.5 202 212 A Q S S+ 0 0 22 -61,-3.3 2,-0.3 1,-0.2 -60,-0.2 0.383 71.7 11.9-103.2 -2.3 24.5 59.0 66.1 203 213 A A E -c 142 0A 0 -62,-0.8 -60,-2.9 43,-0.2 2,-0.4 -0.943 69.2-139.8-160.4 166.2 25.2 62.7 66.2 204 214 A L E -cd 143 248A 3 43,-2.2 45,-2.8 -2,-0.3 2,-0.5 -0.995 5.3-161.2-138.7 136.9 23.6 65.8 67.8 205 215 A Q E -cd 144 249A 2 -62,-2.1 -60,-1.7 -2,-0.4 2,-0.6 -0.959 7.0-155.4-119.1 128.6 23.0 69.3 66.6 206 216 A L E -cd 145 250A 3 43,-3.3 45,-2.5 -2,-0.5 2,-0.9 -0.913 14.0-147.5-100.5 118.6 22.2 72.2 68.9 207 217 A F E +cd 146 251A 27 -62,-2.7 -60,-2.3 -2,-0.6 2,-1.1 -0.791 22.1 175.5 -91.7 102.3 20.3 75.0 67.1 208 218 A E E > + d 0 252A 0 43,-2.4 3,-1.4 -2,-0.9 45,-1.1 -0.618 19.6 160.4 -95.7 69.9 21.1 78.5 68.5 209 219 A S T 3 + 0 0 22 -2,-1.1 3,-0.3 1,-0.3 -1,-0.2 0.685 66.9 48.9 -68.6 -21.6 18.9 79.9 65.8 210 220 A H T > S+ 0 0 23 -3,-0.2 3,-1.0 1,-0.2 4,-0.3 0.024 73.3 113.8-109.3 22.9 18.5 83.2 67.5 211 221 A A G X + 0 0 0 -3,-1.4 3,-1.8 42,-0.2 43,-0.2 0.828 64.8 67.9 -60.5 -36.9 22.1 84.0 68.3 212 222 A G G 3 S+ 0 0 30 41,-1.2 -1,-0.2 1,-0.3 42,-0.1 0.670 83.8 69.9 -67.7 -18.5 22.4 87.0 66.0 213 223 A H G < S+ 0 0 54 -3,-1.0 -1,-0.3 2,-0.0 2,-0.2 0.727 94.8 69.6 -69.7 -21.3 20.0 89.2 68.1 214 224 A L S < S- 0 0 4 -3,-1.8 -50,-0.0 -4,-0.3 -46,-0.0 -0.613 76.6-140.0 -92.7 147.3 22.7 89.3 70.7 215 225 A G > - 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