==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-JUN-07 2Q71 . COMPND 2 MOLECULE: UROPORPHYRINOGEN DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.PHILLIPS,F.G.WHITBY,B.M.STADTMUELLER,C.Q.EDWARDS, . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 68.3 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 . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 0 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 0 109 0, 0.0 3,-0.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 149.4 21.3 48.6 64.4 2 12 A P - 0 0 40 0, 0.0 135,-0.2 0, 0.0 2,-0.2 -0.221 360.0 -95.9 -58.6 148.7 22.4 47.8 60.8 3 13 A E - 0 0 177 133,-0.1 2,-0.2 1,-0.1 0, 0.0 -0.454 43.6-105.5 -68.4 138.2 26.0 48.5 60.0 4 14 A L - 0 0 38 -2,-0.2 134,-0.2 1,-0.2 3,-0.2 -0.445 33.2-174.7 -71.5 127.1 26.6 51.9 58.4 5 15 A K S S+ 0 0 168 132,-3.9 2,-0.7 1,-0.3 133,-0.2 0.926 74.9 34.9 -85.4 -57.7 27.4 51.6 54.7 6 16 A N + 0 0 37 132,-1.3 -1,-0.3 131,-0.8 3,-0.2 -0.898 61.2 161.3-102.8 110.1 28.2 55.2 53.6 7 17 A D > + 0 0 67 -2,-0.7 4,-2.4 -3,-0.2 3,-0.4 0.129 35.2 117.4-112.8 18.3 30.0 57.0 56.5 8 18 A T H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 74.7 54.4 -51.4 -45.9 31.6 59.8 54.5 9 19 A F H > S+ 0 0 0 60,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.876 110.8 45.5 -55.8 -45.2 29.6 62.4 56.4 10 20 A L H > S+ 0 0 27 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.906 111.6 52.2 -68.7 -42.0 30.9 61.1 59.8 11 21 A R H X>S+ 0 0 68 -4,-2.4 5,-2.9 1,-0.2 4,-0.6 0.929 112.4 44.5 -60.8 -45.8 34.5 60.9 58.5 12 22 A A H ><5S+ 0 0 3 -4,-2.9 3,-1.0 3,-0.2 -1,-0.2 0.914 110.3 56.7 -62.9 -41.6 34.4 64.5 57.3 13 23 A A H 3<5S+ 0 0 1 -4,-2.1 277,-0.3 1,-0.3 -2,-0.2 0.876 108.0 46.3 -55.6 -44.2 32.7 65.6 60.6 14 24 A W H 3<5S- 0 0 113 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.557 124.9-105.8 -77.7 -9.4 35.6 64.2 62.6 15 25 A G T <<5 + 0 0 35 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.2 0.611 69.0 145.4 98.9 15.6 38.0 65.8 60.2 16 26 A E < - 0 0 97 -5,-2.9 -1,-0.3 -6,-0.2 306,-0.2 -0.498 55.5 -97.7 -87.7 153.8 39.3 62.8 58.3 17 27 A E - 0 0 113 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.423 44.9-173.4 -64.9 139.5 40.2 62.8 54.6 18 28 A T - 0 0 7 302,-0.2 3,-0.0 -2,-0.1 -10,-0.0 -0.929 35.7-119.4-131.4 165.0 37.5 61.5 52.3 19 29 A D S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.649 96.5 4.9 -77.6 -18.0 37.2 60.6 48.6 20 30 A Y S S- 0 0 30 335,-0.1 328,-0.1 300,-0.1 -1,-0.1 -0.952 87.6 -88.3-155.2 167.8 34.6 63.2 48.0 21 31 A T - 0 0 1 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.759 41.2-135.5 -85.5 121.1 32.7 66.0 49.8 22 32 A P - 0 0 0 0, 0.0 303,-2.2 0, 0.0 2,-0.3 -0.477 25.6-165.8 -74.8 151.6 29.6 64.7 51.6 23 33 A V B +a 325 0A 0 301,-0.2 46,-2.9 44,-0.2 47,-0.5 -0.991 20.1 158.8-142.2 143.1 26.5 66.8 51.3 24 34 A W - 0 0 0 301,-1.5 2,-0.4 -2,-0.3 303,-0.3 -0.918 29.5-126.8-148.8 172.2 23.0 67.2 52.9 25 35 A C > - 0 0 0 -2,-0.3 3,-1.8 45,-0.2 4,-0.2 -0.988 19.3-118.9-130.4 131.4 20.5 70.1 53.0 26 36 A M T 3 S+ 0 0 7 -2,-0.4 305,-2.1 303,-0.4 303,-0.1 -0.438 106.6 16.6 -62.3 138.0 18.8 71.7 55.9 27 37 A R T 3 S+ 0 0 144 303,-0.2 -1,-0.3 2,-0.1 303,-0.0 0.705 78.1 148.7 62.8 28.7 15.0 71.1 55.5 28 38 A Q S < S+ 0 0 2 -3,-1.8 2,-0.9 1,-0.2 -2,-0.1 0.826 70.2 58.2 -61.7 -32.1 15.7 68.4 52.9 29 39 A A S S+ 0 0 15 -4,-0.2 2,-0.3 44,-0.1 -1,-0.2 -0.881 95.7 113.8 -89.9 97.0 12.4 66.8 54.3 30 40 A G S > S- 0 0 9 -2,-0.9 3,-2.1 28,-0.1 6,-0.3 -0.936 81.6 -75.8-159.3-178.2 10.2 69.9 53.5 31 41 A R T 3 S+ 0 0 129 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.607 109.7 76.6 -66.6 -19.4 7.4 71.5 51.5 32 42 A Y T 3 S+ 0 0 3 299,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.715 84.8 79.7 -65.2 -19.8 9.4 71.9 48.3 33 43 A L S X> S- 0 0 0 -3,-2.1 4,-1.6 1,-0.1 3,-0.7 -0.803 73.5-152.1 -87.5 120.0 8.7 68.1 47.9 34 44 A P H 3> S+ 0 0 58 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.873 98.9 56.0 -58.7 -36.2 5.2 67.4 46.6 35 45 A E H 3> S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.794 102.9 55.7 -65.7 -29.7 5.3 64.0 48.4 36 46 A F H <> S+ 0 0 15 -3,-0.7 4,-3.1 -6,-0.3 -1,-0.2 0.934 107.6 47.6 -64.0 -47.9 6.0 65.9 51.7 37 47 A R H X S+ 0 0 128 -4,-1.6 4,-1.3 -6,-0.2 -2,-0.2 0.922 111.5 52.0 -60.3 -45.3 2.8 68.0 51.3 38 48 A E H < S+ 0 0 150 -4,-2.0 3,-0.5 2,-0.2 4,-0.5 0.934 113.4 42.4 -53.2 -55.9 0.8 64.9 50.4 39 49 A T H >< S+ 0 0 40 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.924 114.3 52.2 -60.4 -46.2 2.0 63.0 53.6 40 50 A R H 3< S+ 0 0 49 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.697 93.9 71.7 -65.0 -19.8 1.6 66.1 55.7 41 51 A A T 3< S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.769 90.1 63.8 -67.8 -20.9 -2.0 66.6 54.5 42 52 A A S < S+ 0 0 84 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.766 111.1 19.8 -75.7 -34.6 -3.0 63.6 56.6 43 53 A Q S S- 0 0 62 -3,-0.5 2,-0.1 -4,-0.4 0, 0.0 -0.881 85.9-100.1-123.9 165.6 -2.2 64.9 60.2 44 54 A D > - 0 0 106 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.385 51.8 -96.0 -71.1 168.6 -1.8 68.4 61.7 45 55 A F H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 121.2 41.1 -62.6 -49.6 1.9 69.3 62.1 46 56 A F H > S+ 0 0 14 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.730 113.8 55.2 -75.4 -19.2 2.6 68.4 65.8 47 57 A S H 4 S+ 0 0 53 -3,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.876 105.7 52.1 -74.4 -42.2 0.5 65.2 65.3 48 58 A T H >< S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.2 7,-0.4 0.939 107.5 53.4 -50.4 -49.0 2.8 64.3 62.4 49 59 A C H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.2 53.3 -61.7 -27.8 5.8 64.8 64.7 50 60 A R T 3< S+ 0 0 117 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.336 91.6 84.9 -90.7 3.4 4.2 62.4 67.2 51 61 A S <> - 0 0 33 -3,-1.9 4,-2.7 -4,-0.2 5,-0.2 -0.910 62.3-161.1-107.5 106.0 3.8 59.6 64.7 52 62 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.898 93.1 49.5 -49.9 -44.9 7.1 57.5 64.4 53 63 A E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.890 111.1 47.7 -64.2 -42.6 6.0 56.2 60.9 54 64 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 113.7 48.5 -62.7 -43.3 5.1 59.6 59.5 55 65 A C H X S+ 0 0 1 -4,-2.7 4,-1.9 -7,-0.4 19,-0.4 0.919 111.8 48.7 -63.4 -43.6 8.4 61.0 60.8 56 66 A C H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.934 110.9 51.4 -60.2 -47.8 10.4 58.1 59.3 57 67 A E H X S+ 0 0 64 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.927 110.2 47.4 -56.7 -48.0 8.5 58.5 55.9 58 68 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 111.2 52.7 -63.5 -36.6 9.3 62.2 55.6 59 69 A T H X S+ 0 0 1 -4,-1.9 4,-0.5 -5,-0.2 13,-0.2 0.905 111.4 45.9 -62.1 -44.4 12.9 61.6 56.5 60 70 A L H >X S+ 0 0 26 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.814 92.9 82.4 -70.6 -32.8 13.3 59.0 53.8 61 71 A Q H >X S+ 0 0 4 -4,-1.9 4,-0.9 1,-0.2 3,-0.6 0.858 92.1 44.2 -45.0 -55.7 11.6 61.0 51.1 62 72 A P H >> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.853 109.0 58.3 -60.2 -36.1 14.6 63.1 50.0 63 73 A L H << S+ 0 0 11 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.827 100.1 57.4 -62.1 -31.7 16.9 60.1 50.0 64 74 A R H << S+ 0 0 140 -4,-1.5 -1,-0.2 -3,-0.6 -3,-0.1 0.770 116.9 35.7 -69.5 -25.9 14.7 58.4 47.4 65 75 A R H << S+ 0 0 92 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.824 124.1 31.3 -90.4 -39.9 15.2 61.4 45.2 66 76 A F S < S- 0 0 11 -4,-3.0 2,-2.3 278,-0.0 -1,-0.2 -0.946 72.4-122.8-129.8 142.3 18.9 62.4 45.9 67 77 A P + 0 0 74 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.326 49.3 173.3 -76.7 58.8 22.1 60.5 46.9 68 78 A L - 0 0 4 -2,-2.3 -44,-0.2 -6,-0.2 3,-0.0 -0.361 34.8-136.0 -64.9 147.1 22.4 62.7 50.0 69 79 A D S S+ 0 0 3 -46,-2.9 -60,-0.5 1,-0.1 2,-0.3 0.427 82.3 29.2 -91.1 1.6 25.2 61.7 52.4 70 80 A A - 0 0 0 -47,-0.5 2,-0.3 69,-0.2 -45,-0.2 -0.983 64.9-143.0-153.6 149.7 23.1 62.1 55.5 71 81 A A E -b 141 0A 0 69,-2.7 71,-3.2 -2,-0.3 2,-0.4 -0.830 14.7-153.9-101.1 150.4 19.5 61.9 56.7 72 82 A I E -b 142 0A 15 -2,-0.3 71,-0.2 -13,-0.2 -43,-0.1 -0.995 26.1-109.8-124.4 131.8 18.1 64.2 59.3 73 83 A I - 0 0 5 69,-2.5 2,-0.7 -2,-0.4 -17,-0.1 -0.232 28.1-116.9 -56.6 143.1 15.1 63.2 61.4 74 84 A F S S+ 0 0 15 -19,-0.4 2,-0.2 53,-0.1 -1,-0.1 -0.747 70.5 102.1 -78.0 119.0 11.8 64.8 60.9 75 85 A S - 0 0 10 -2,-0.7 2,-0.3 -20,-0.0 3,-0.1 -0.852 62.2-109.0-168.0-164.2 10.8 66.7 64.1 76 86 A D > - 0 0 23 -2,-0.2 3,-1.2 68,-0.1 4,-0.2 -0.995 13.7-126.8-144.2 154.2 11.0 70.4 65.1 77 87 A I T > S+ 0 0 21 -2,-0.3 3,-1.4 1,-0.2 69,-0.4 0.802 105.0 69.3 -64.5 -24.9 13.0 72.5 67.5 78 88 A L T 3> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.573 72.8 85.1 -78.1 -4.2 9.8 73.7 69.2 79 89 A V H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.786 85.2 60.4 -63.0 -26.0 9.0 70.3 70.7 80 90 A V H <> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.984 104.7 43.6 -67.3 -58.3 11.3 71.3 73.6 81 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 -2,-0.2 0.878 116.1 51.7 -49.5 -38.4 9.3 74.4 74.7 82 92 A Q H ><5S+ 0 0 29 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.919 108.1 48.7 -67.8 -43.1 6.1 72.3 74.3 83 93 A A H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.2 0.725 104.7 61.7 -67.2 -22.6 7.5 69.5 76.4 84 94 A L T 3<5S- 0 0 0 -4,-1.7 28,-2.2 -5,-0.1 -1,-0.3 0.480 132.5 -92.0 -77.6 -5.0 8.4 72.2 79.0 85 95 A G T < 5S+ 0 0 31 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.465 82.2 133.1 109.1 5.2 4.7 73.0 79.2 86 96 A M < - 0 0 5 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.686 53.9-126.6 -89.4 138.8 4.1 75.7 76.6 87 97 A E - 0 0 136 -2,-0.3 13,-0.5 13,-0.2 2,-0.4 -0.705 29.4-175.1 -79.3 128.0 1.2 75.5 74.2 88 98 A V - 0 0 11 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.994 3.9-166.6-127.7 127.6 2.4 75.9 70.5 89 99 A T E -H 97 0B 65 8,-3.4 8,-2.3 -2,-0.4 2,-0.8 -0.864 21.7-130.7-113.8 146.2 0.0 76.1 67.6 90 100 A M E -H 96 0B 60 -2,-0.3 -45,-0.1 6,-0.2 3,-0.0 -0.871 28.2-146.3 -93.0 106.8 0.9 75.8 63.8 91 101 A V E >> -H 95 0B 46 4,-3.4 3,-3.1 -2,-0.8 4,-1.8 -0.654 27.4-100.8 -82.8 119.6 -0.9 78.8 62.3 92 102 A P T 34 S- 0 0 110 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.080 99.9 -14.3 -42.2 122.5 -2.2 78.1 58.7 93 103 A G T 34 S+ 0 0 92 1,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.666 131.6 75.7 51.5 24.1 0.3 79.6 56.2 94 104 A K T <4 S- 0 0 175 -3,-3.1 -1,-0.1 1,-0.2 -3,-0.0 0.446 88.5-133.8-138.2 -13.0 1.9 81.6 59.0 95 105 A G E < -H 91 0B 23 -4,-1.8 -4,-3.4 2,-0.0 -1,-0.2 -0.376 50.2 -4.9 95.1-166.9 4.0 79.1 61.0 96 106 A P E -H 90 0B 54 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.337 60.0-177.2 -66.7 143.7 4.6 78.3 64.7 97 107 A S E -H 89 0B 41 -8,-2.3 -8,-3.4 62,-0.1 3,-0.1 -0.997 25.8-153.1-145.1 140.0 2.9 80.4 67.3 98 108 A F - 0 0 15 -2,-0.3 -10,-0.2 -10,-0.2 -8,-0.0 -0.927 12.1-166.9-106.6 100.3 2.9 80.5 71.2 99 109 A P S S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.797 84.9 37.4 -57.5 -31.3 -0.4 82.0 72.0 100 110 A E S S- 0 0 117 -13,-0.5 -13,-0.2 -3,-0.1 3,-0.1 -0.669 81.2-173.9-124.5 76.0 0.7 82.6 75.6 101 111 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.229 41.0 -91.0 -63.0 156.1 4.5 83.6 75.7 102 112 A L + 0 0 0 53,-2.9 3,-0.1 1,-0.2 6,-0.0 -0.572 48.5 177.9 -62.8 124.7 6.4 83.9 79.0 103 113 A R + 0 0 63 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.762 55.7 9.8-106.8 -29.0 5.9 87.6 79.8 104 114 A E S > S- 0 0 84 73,-0.0 3,-1.4 1,-0.0 4,-0.3 -0.886 83.8 -91.2-145.8 173.2 7.6 88.0 83.2 105 115 A E G > S+ 0 0 102 1,-0.3 3,-1.5 -2,-0.3 4,-0.2 0.822 120.1 63.1 -59.3 -31.8 9.9 86.2 85.6 106 116 A Q G > S+ 0 0 120 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.803 88.0 70.6 -65.6 -29.5 6.9 84.8 87.4 107 117 A D G X S+ 0 0 28 -3,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.669 77.2 79.9 -61.1 -18.7 5.8 82.9 84.3 108 118 A L G X S+ 0 0 11 -3,-1.5 3,-1.6 -4,-0.3 -1,-0.3 0.757 77.9 74.9 -58.7 -25.0 8.9 80.5 84.7 109 119 A E G < S+ 0 0 159 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.733 85.0 61.4 -59.8 -25.9 6.7 78.8 87.3 110 120 A R G < S+ 0 0 107 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.375 84.2 101.4 -87.7 6.3 4.5 77.1 84.6 111 121 A L S < S- 0 0 20 -3,-1.6 -26,-0.2 -4,-0.1 -27,-0.1 -0.686 76.6-113.9 -86.6 142.8 7.5 75.2 83.1 112 122 A R - 0 0 101 -28,-2.2 -1,-0.1 -2,-0.3 5,-0.1 -0.338 44.2 -88.1 -61.0 149.4 8.1 71.5 83.9 113 123 A D > - 0 0 85 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.531 42.6-127.5 -52.1 125.8 11.2 70.5 85.8 114 124 A P G > S+ 0 0 18 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.758 103.4 69.7 -57.5 -26.3 13.7 70.2 82.9 115 125 A E G 3 S+ 0 0 153 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.688 96.1 52.4 -63.4 -22.5 14.7 66.7 84.1 116 126 A V G <> S+ 0 0 53 -3,-1.8 4,-1.1 1,-0.2 3,-0.3 0.535 85.8 88.3 -91.2 -6.1 11.3 65.3 83.0 117 127 A V H <> S+ 0 0 0 -3,-1.2 4,-1.0 -4,-0.3 3,-0.4 0.886 79.4 57.7 -63.5 -43.5 11.4 66.6 79.5 118 128 A A H >4 S+ 0 0 18 -4,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.897 106.0 51.3 -54.6 -39.7 13.2 63.6 77.8 119 129 A S H >4 S+ 0 0 89 -3,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.836 105.9 55.0 -73.2 -27.0 10.4 61.3 79.0 120 130 A E H 3< S+ 0 0 76 -4,-1.1 3,-0.3 -3,-0.4 -1,-0.3 0.676 106.4 53.4 -69.4 -20.5 7.9 63.7 77.4 121 131 A L T XX + 0 0 0 -4,-1.0 4,-1.4 -3,-0.8 3,-1.3 0.057 66.9 121.4-108.5 22.6 9.8 63.4 74.1 122 132 A G H <> + 0 0 23 -3,-0.9 4,-2.6 1,-0.3 -1,-0.2 0.818 68.6 64.6 -51.7 -37.4 9.7 59.6 73.9 123 133 A Y H 3> S+ 0 0 17 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.814 100.5 50.4 -56.3 -34.8 7.8 59.9 70.6 124 134 A V H <> S+ 0 0 2 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.927 108.7 51.5 -71.4 -43.2 10.9 61.6 69.0 125 135 A F H X S+ 0 0 42 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.927 109.4 51.1 -58.1 -42.7 13.1 58.7 70.4 126 136 A Q H X S+ 0 0 117 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 109.4 49.9 -60.3 -45.1 10.7 56.2 68.7 127 137 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.901 110.4 50.9 -57.2 -44.4 10.9 58.1 65.4 128 138 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.944 112.8 44.7 -62.5 -47.9 14.7 58.1 65.6 129 139 A T H X S+ 0 0 51 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.934 114.6 47.9 -59.9 -49.0 14.9 54.3 66.2 130 140 A L H X S+ 0 0 34 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.942 114.7 46.7 -59.3 -46.0 12.4 53.4 63.6 131 141 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.882 110.9 51.3 -65.9 -41.1 14.2 55.7 61.1 132 142 A R H X>S+ 0 0 46 -4,-3.0 4,-0.9 67,-0.2 5,-0.6 0.920 113.2 46.6 -61.7 -44.2 17.6 54.3 62.0 133 143 A Q H ><5S+ 0 0 96 -4,-2.8 3,-0.6 -5,-0.2 -2,-0.2 0.949 115.0 45.5 -61.4 -47.9 16.2 50.7 61.5 134 144 A R H 3<5S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 105.0 59.3 -69.4 -33.7 14.5 51.6 58.1 135 145 A L H ><5S- 0 0 11 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.3 0.776 92.1-157.2 -63.2 -27.9 17.5 53.5 56.7 136 146 A A T <<5 - 0 0 53 -4,-0.9 -3,-0.1 -3,-0.6 -133,-0.1 0.812 62.1 -53.2 55.5 39.4 19.3 50.1 57.2 137 147 A G T 3 - 0 0 0 60,-2.6 4,-2.4 -2,-0.2 5,-0.2 -0.434 33.2-105.4 -75.5 153.2 20.0 76.1 71.2 148 158 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.891 116.8 46.5 -48.2 -53.4 19.0 77.7 74.5 149 159 A W H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 59,-0.1 0.945 113.6 48.8 -56.4 -49.7 18.9 81.4 73.3 150 160 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 112.5 48.1 -58.6 -41.4 17.1 80.6 70.1 151 161 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.904 107.8 56.6 -66.9 -39.0 14.5 78.6 72.1 152 162 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 5,-0.3 0.894 101.4 56.9 -55.6 -43.8 14.1 81.4 74.6 153 163 A T H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.899 108.4 46.7 -59.1 -40.8 13.2 83.8 71.7 154 164 A Y H < S+ 0 0 66 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.0 50.5 -65.6 -32.9 10.3 81.6 70.8 155 165 A M H < S+ 0 0 0 -4,-1.8 -53,-2.9 1,-0.2 -2,-0.2 0.764 120.2 31.9 -77.8 -22.8 9.2 81.3 74.4 156 166 A V H < S+ 0 0 1 -4,-1.7 2,-0.2 -55,-0.2 -2,-0.2 0.663 101.9 82.4-109.0 -23.6 9.2 85.0 75.1 157 167 A E S < S- 0 0 21 -4,-1.9 -59,-0.2 -5,-0.3 2,-0.2 -0.564 70.9-133.9 -90.7 149.1 8.3 86.7 71.9 158 168 A R - 0 0 175 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.1 -0.273 64.9 -88.1 -93.9 46.4 4.8 87.2 70.5 159 169 A G S S+ 0 0 55 -2,-0.2 -1,-0.2 -5,-0.1 -62,-0.1 0.787 95.3 39.9 76.7 135.7 5.8 86.1 67.0 160 170 A G + 0 0 93 1,-0.2 2,-0.4 -3,-0.1 -1,-0.0 0.851 67.1 162.3 66.1 42.1 7.2 87.3 63.7 161 171 A S - 0 0 35 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.793 32.9-167.7 -97.0 132.0 9.8 89.7 65.1 162 172 A S S S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.385 93.3 36.6 -88.9 3.1 12.7 91.0 62.9 163 173 A T S S- 0 0 72 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.568 85.7-139.3-126.1 -20.1 14.4 92.4 66.1 164 174 A M > + 0 0 12 3,-0.1 4,-2.7 1,-0.1 5,-0.2 0.860 44.8 159.4 48.2 41.3 13.8 90.0 69.0 165 175 A A H > + 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.861 67.5 46.7 -63.3 -38.0 13.3 93.3 71.0 166 176 A Q H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 113.4 47.8 -69.3 -46.2 11.3 91.6 73.8 167 177 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.912 115.2 46.1 -59.5 -41.4 13.8 88.7 74.1 168 178 A K H X S+ 0 0 62 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.838 105.8 59.3 -72.0 -32.9 16.6 91.2 74.2 169 179 A R H X>S+ 0 0 135 -4,-2.0 4,-3.3 -5,-0.2 5,-0.5 0.897 103.2 54.2 -57.6 -42.1 14.7 93.3 76.7 170 180 A W H X5S+ 0 0 6 -4,-2.0 4,-2.6 3,-0.2 8,-0.3 0.935 107.0 50.6 -54.7 -48.8 14.8 90.2 79.0 171 181 A L H <5S+ 0 0 3 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.2 34.1 -59.9 -44.0 18.6 90.0 78.6 172 182 A Y H <5S+ 0 0 161 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.878 131.1 29.7 -79.3 -42.2 19.1 93.7 79.6 173 183 A Q H <5S+ 0 0 120 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.747 132.4 29.3 -91.1 -27.4 16.3 94.2 82.1 174 184 A R X< + 0 0 88 -4,-2.6 4,-2.4 -5,-0.5 -1,-0.2 -0.427 67.6 152.6-131.3 55.6 15.9 90.7 83.6 175 185 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.846 75.4 48.7 -60.2 -37.7 19.4 89.2 83.3 176 186 A Q H > S+ 0 0 167 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.920 113.4 45.4 -68.9 -47.2 19.0 86.8 86.3 177 187 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.844 112.7 53.9 -61.9 -35.4 15.6 85.5 85.1 178 188 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.3 -2,-0.2 0.953 108.5 46.9 -65.2 -50.4 17.1 85.1 81.6 179 189 A H H X S+ 0 0 66 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.896 111.3 53.7 -55.4 -40.2 20.0 83.0 82.9 180 190 A Q H X S+ 0 0 94 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.952 111.3 44.2 -60.1 -48.8 17.4 81.0 84.9 181 191 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 113.2 51.6 -60.1 -42.1 15.4 80.3 81.7 182 192 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.879 110.5 48.6 -68.2 -34.1 18.6 79.6 79.7 183 193 A R H X S+ 0 0 88 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.919 109.3 52.1 -68.6 -45.7 19.7 77.1 82.4 184 194 A I H X S+ 0 0 24 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.945 112.0 47.6 -53.0 -49.8 16.2 75.4 82.4 185 195 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.2 0.912 112.0 49.0 -60.5 -43.6 16.5 75.0 78.6 186 196 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.919 110.2 50.9 -60.1 -46.3 20.1 73.6 78.8 187 197 A D H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 114.0 44.8 -68.1 -23.9 19.0 71.1 81.5 188 198 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.866 113.4 51.1 -80.8 -42.1 16.1 69.9 79.3 189 199 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.868 101.2 59.4 -65.2 -45.0 18.2 69.8 76.1 190 200 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.959 110.9 38.7 -52.8 -60.4 21.1 67.7 77.5 191 201 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.851 116.9 53.9 -61.9 -30.8 19.0 64.6 78.4 192 202 A Y H X S+ 0 0 3 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.953 111.3 43.4 -63.7 -51.7 16.9 65.0 75.3 193 203 A L H X S+ 0 0 1 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.903 113.6 51.1 -62.1 -44.3 20.0 65.1 73.0 194 204 A V H X S+ 0 0 19 -4,-2.6 4,-2.6 -5,-0.3 3,-0.2 0.938 109.2 52.6 -55.4 -47.3 21.6 62.1 74.9 195 205 A G H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.845 104.0 56.1 -56.5 -39.6 18.2 60.3 74.4 196 206 A Q H <>S+ 0 0 1 -4,-1.8 5,-2.9 2,-0.2 4,-0.5 0.906 110.9 43.9 -60.0 -42.2 18.4 61.0 70.6 197 207 A V H ><5S+ 0 0 14 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.924 111.1 52.8 -70.5 -44.2 21.8 59.3 70.5 198 208 A V H 3<5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.905 109.8 51.7 -52.2 -43.0 20.6 56.4 72.7 199 209 A A T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.601 136.9 -82.2 -73.7 -13.5 17.7 56.0 70.3 200 210 A G T < 5S+ 0 0 1 -3,-1.2 -59,-0.3 -4,-0.5 -3,-0.2 0.391 74.0 147.8 132.3 -7.6 20.0 55.9 67.3 201 211 A A < - 0 0 2 -5,-2.9 -1,-0.3 -6,-0.1 -59,-0.2 -0.382 27.6-164.2 -59.1 137.3 21.1 59.4 66.1 202 212 A Q S S+ 0 0 22 -61,-3.1 2,-0.3 1,-0.2 -60,-0.2 0.388 71.7 15.2-105.5 -2.1 24.7 59.2 64.7 203 213 A A E -c 142 0A 0 -62,-0.8 -60,-3.0 43,-0.2 2,-0.4 -0.939 69.6-140.7-164.2 155.5 25.3 63.0 64.8 204 214 A L E -cd 143 248A 2 43,-2.1 45,-2.9 -2,-0.3 2,-0.5 -0.990 6.5-162.7-129.6 134.4 23.7 66.1 66.5 205 215 A Q E -cd 144 249A 1 -62,-2.0 -60,-2.0 -2,-0.4 2,-0.6 -0.963 6.5-156.0-115.1 129.6 23.1 69.5 65.2 206 216 A L E -cd 145 250A 3 43,-3.3 45,-2.6 -2,-0.5 2,-0.8 -0.928 13.4-146.5-101.0 121.3 22.3 72.4 67.5 207 217 A F E +cd 146 251A 24 -62,-2.6 -60,-2.6 -2,-0.6 2,-0.8 -0.790 22.4 175.5 -93.0 101.8 20.4 75.3 65.8 208 218 A E E > + d 0 252A 0 43,-2.9 3,-1.4 -2,-0.8 45,-1.3 -0.599 20.1 160.1 -94.7 67.3 21.2 78.7 67.1 209 219 A S T 3 + 0 0 26 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.722 67.3 47.6 -65.7 -23.7 19.0 80.2 64.4 210 220 A H T > S+ 0 0 29 -3,-0.2 3,-1.3 1,-0.2 4,-0.3 0.122 73.3 114.4-105.5 19.2 18.5 83.6 66.2 211 221 A A G X + 0 0 0 -3,-1.4 3,-1.8 1,-0.2 43,-0.2 0.825 66.2 67.5 -56.3 -36.6 22.2 84.2 67.0 212 222 A G G 3 S+ 0 0 30 41,-1.4 -1,-0.2 1,-0.3 42,-0.1 0.626 84.0 68.0 -66.2 -19.4 22.4 87.3 64.7 213 223 A H G < S+ 0 0 56 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.722 96.4 71.0 -74.8 -16.1 20.1 89.5 66.7 214 224 A L S < S- 0 0 5 -3,-1.8 -46,-0.0 -4,-0.3 0, 0.0 -0.699 75.6-142.2 -94.4 147.9 22.8 89.5 69.3 215 225 A G > - 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