==== 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 1R3V . 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) . 14966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 68.9 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 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 . 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 1 1 2 1 1 0 0 0 2 1 0 1 0 1 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 10 A G 0 0 111 0, 0.0 133,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.4 21.1 46.8 68.9 2 11 A F - 0 0 61 1,-0.1 132,-0.1 135,-0.0 3,-0.1 -0.852 360.0 -84.6-123.7 158.5 21.1 48.6 65.5 3 12 A P - 0 0 42 0, 0.0 135,-0.2 0, 0.0 2,-0.2 -0.232 54.3 -98.1 -55.9 146.9 22.4 47.8 62.0 4 13 A E - 0 0 175 133,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.472 43.5-104.6 -65.4 139.1 26.0 48.6 61.3 5 14 A L - 0 0 38 -2,-0.2 3,-0.2 1,-0.2 134,-0.2 -0.484 32.8-173.4 -70.1 127.9 26.5 51.9 59.6 6 15 A K S S+ 0 0 173 132,-3.1 2,-0.7 1,-0.3 133,-0.2 0.901 76.5 34.3 -86.9 -50.0 27.3 51.6 55.9 7 16 A N + 0 0 37 132,-0.8 -1,-0.3 131,-0.8 3,-0.2 -0.935 61.6 161.4-111.6 107.9 28.2 55.2 54.9 8 17 A D >> + 0 0 65 -2,-0.7 4,-2.6 -3,-0.2 3,-0.6 0.119 35.4 117.4-109.7 13.9 29.9 57.0 57.8 9 18 A T H 3> S+ 0 0 18 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.877 73.9 54.8 -49.1 -45.5 31.5 59.8 55.8 10 19 A F H 3> S+ 0 0 0 60,-0.5 4,-2.0 2,-0.2 -1,-0.3 0.878 110.7 44.8 -55.9 -45.6 29.5 62.4 57.7 11 20 A L H <> S+ 0 0 20 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.921 111.7 52.5 -68.5 -43.0 30.8 61.1 61.1 12 21 A R H <>S+ 0 0 65 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.946 112.4 45.2 -57.1 -48.6 34.4 60.8 59.8 13 22 A A H ><5S+ 0 0 3 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.901 108.4 57.1 -62.9 -39.9 34.3 64.4 58.6 14 23 A A H 3<5S+ 0 0 2 -4,-2.0 277,-0.3 1,-0.3 -1,-0.2 0.868 107.2 48.6 -58.5 -38.8 32.7 65.6 61.9 15 24 A W T 3<5S- 0 0 99 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.515 123.7-108.6 -79.4 -4.1 35.6 64.2 63.8 16 25 A G T < 5 + 0 0 28 -3,-1.7 -3,-0.2 -4,-0.3 2,-0.2 0.588 69.2 142.9 87.1 15.6 38.0 65.9 61.4 17 26 A E < - 0 0 94 -5,-2.4 -1,-0.3 -6,-0.2 306,-0.2 -0.497 56.4 -98.1 -83.0 156.0 39.3 62.9 59.5 18 27 A E - 0 0 142 -2,-0.2 2,-0.3 304,-0.1 -1,-0.1 -0.420 43.1-171.9 -67.6 143.1 40.1 62.8 55.8 19 28 A T - 0 0 25 302,-0.4 3,-0.0 -2,-0.1 -10,-0.0 -0.942 36.2-115.6-132.7 167.4 37.4 61.5 53.5 20 29 A D S S+ 0 0 130 -2,-0.3 2,-0.3 1,-0.1 336,-0.1 0.619 98.9 3.0 -74.6 -18.8 37.2 60.6 49.8 21 30 A Y S S- 0 0 26 334,-0.1 328,-0.1 335,-0.0 329,-0.1 -0.960 87.1 -88.4-158.3 167.7 34.6 63.2 49.3 22 31 A T - 0 0 1 326,-0.4 330,-0.1 -2,-0.3 303,-0.1 -0.775 42.0-134.7 -86.1 121.7 32.7 66.0 51.2 23 32 A P - 0 0 0 0, 0.0 303,-2.1 0, 0.0 2,-0.4 -0.443 25.0-162.6 -74.7 151.5 29.6 64.8 52.9 24 33 A V B +a 326 0A 0 44,-0.2 46,-2.7 301,-0.2 47,-0.4 -0.993 20.3 161.2-139.9 141.9 26.5 66.9 52.6 25 34 A W - 0 0 0 301,-1.7 2,-0.4 -2,-0.4 303,-0.3 -0.941 26.4-130.3-143.4 171.9 23.1 67.3 54.2 26 35 A C > - 0 0 0 -2,-0.3 3,-2.1 45,-0.2 4,-0.2 -0.981 19.1-121.0-128.4 126.9 20.5 70.1 54.2 27 36 A M T 3 S+ 0 0 8 -2,-0.4 305,-2.2 303,-0.3 303,-0.1 -0.409 106.7 17.3 -57.4 134.9 18.7 71.8 57.1 28 37 A R T 3 S+ 0 0 110 303,-0.2 -1,-0.3 2,-0.1 5,-0.2 0.659 76.8 148.6 61.9 26.2 15.0 71.2 56.5 29 38 A Q S < S+ 0 0 3 -3,-2.1 2,-0.8 1,-0.2 -2,-0.1 0.829 73.3 54.7 -56.1 -33.2 15.7 68.4 54.0 30 39 A A S S+ 0 0 17 -4,-0.2 2,-0.3 43,-0.1 -1,-0.2 -0.923 97.3 112.9 -91.6 105.7 12.5 67.0 55.3 31 40 A G S > S- 0 0 8 -2,-0.8 3,-2.3 28,-0.1 6,-0.3 -0.981 80.6 -71.6-165.6-175.5 10.3 70.0 54.6 32 41 A R T 3 S+ 0 0 155 1,-0.3 6,-0.2 -2,-0.3 301,-0.1 0.614 110.5 74.0 -69.7 -16.8 7.5 71.8 52.8 33 42 A Y T 3 S+ 0 0 5 -5,-0.2 -1,-0.3 299,-0.1 3,-0.1 0.688 86.0 79.0 -65.6 -19.8 9.4 72.1 49.5 34 43 A L S X> S- 0 0 0 -3,-2.3 4,-1.6 1,-0.2 3,-0.6 -0.812 73.3-150.3 -90.9 125.2 8.7 68.3 49.1 35 44 A P H 3> S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 99.4 55.7 -58.6 -37.7 5.2 67.5 47.9 36 45 A E H 3> S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.784 103.2 55.4 -66.0 -30.5 5.4 64.1 49.7 37 46 A F H <> S+ 0 0 14 -3,-0.6 4,-2.6 -6,-0.3 -1,-0.2 0.928 108.8 47.6 -61.2 -47.5 6.1 66.0 53.0 38 47 A R H X S+ 0 0 130 -4,-1.6 4,-1.8 -7,-0.2 -2,-0.2 0.931 111.1 51.1 -65.9 -40.9 3.0 68.1 52.6 39 48 A E H X S+ 0 0 155 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.924 112.9 44.3 -60.0 -48.4 0.9 64.9 51.8 40 49 A T H >< S+ 0 0 34 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.898 115.3 49.7 -63.7 -39.8 2.1 63.1 54.9 41 50 A R H >< S+ 0 0 42 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.750 94.5 71.4 -71.8 -23.7 1.7 66.2 57.0 42 51 A A H 3< S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.742 89.3 67.2 -64.9 -20.6 -1.9 66.9 55.8 43 52 A A T << S+ 0 0 86 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.2 0.867 108.5 18.7 -65.8 -42.6 -3.0 63.8 57.8 44 53 A Q S < S- 0 0 59 -3,-0.6 2,-0.1 -4,-0.4 0, 0.0 -0.784 85.5 -94.0-123.9 166.6 -2.4 65.2 61.4 45 54 A D > - 0 0 97 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.445 54.5 -97.4 -72.9 162.5 -1.9 68.5 63.2 46 55 A F H > S+ 0 0 28 45,-0.4 4,-1.9 1,-0.2 5,-0.1 0.874 120.7 40.9 -56.9 -50.4 1.8 69.5 63.5 47 56 A F H > S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.819 110.9 58.9 -76.4 -21.2 2.5 68.3 67.1 48 57 A S H 4 S+ 0 0 35 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.885 105.4 51.2 -66.2 -36.9 0.5 65.1 66.5 49 58 A T H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 7,-0.3 0.946 107.1 52.6 -60.7 -47.1 2.9 64.4 63.7 50 59 A C H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.9 52.8 -59.6 -29.4 5.8 65.0 66.1 51 60 A R T 3< S+ 0 0 121 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.326 91.2 84.1 -91.1 8.0 4.3 62.4 68.5 52 61 A S <> - 0 0 33 -3,-1.7 4,-2.5 -4,-0.2 5,-0.2 -0.951 61.6-160.9-114.0 107.0 3.9 59.6 65.9 53 62 A P H > S+ 0 0 32 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.904 92.7 51.8 -50.8 -43.7 7.1 57.6 65.5 54 63 A E H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 110.6 46.8 -64.5 -43.5 5.9 56.3 62.1 55 64 A A H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 113.8 47.7 -64.1 -43.0 5.1 59.7 60.8 56 65 A C H X S+ 0 0 1 -4,-2.5 4,-2.2 -7,-0.3 19,-0.3 0.937 112.4 50.1 -63.0 -45.5 8.5 61.1 61.9 57 66 A C H X S+ 0 0 2 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.943 110.4 50.1 -57.5 -47.6 10.3 58.2 60.5 58 67 A E H X S+ 0 0 63 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 110.5 47.5 -59.0 -45.4 8.6 58.6 57.1 59 68 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 111.4 53.4 -65.7 -34.6 9.3 62.3 56.8 60 69 A T H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.885 111.4 45.1 -64.5 -39.8 13.0 61.6 57.7 61 70 A L H >X S+ 0 0 28 -4,-2.0 4,-1.2 1,-0.2 3,-0.8 0.828 93.9 80.3 -75.3 -32.9 13.3 59.0 55.0 62 71 A Q H >X S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.3 4,-0.9 0.858 92.7 45.4 -47.8 -55.0 11.6 61.0 52.2 63 72 A P H >> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.857 107.9 59.6 -59.5 -34.5 14.5 63.2 51.2 64 73 A L H <4 S+ 0 0 10 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.773 99.3 57.2 -65.8 -25.0 16.9 60.2 51.3 65 74 A R H << S+ 0 0 143 -4,-1.2 -1,-0.2 -3,-0.9 -3,-0.1 0.740 115.9 36.8 -74.3 -24.3 14.7 58.5 48.6 66 75 A R H << S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.798 123.8 29.3 -90.6 -38.5 15.3 61.5 46.3 67 76 A F S < S- 0 0 12 -4,-2.5 2,-1.9 278,-0.0 -1,-0.2 -0.972 72.5-122.1-132.7 143.9 18.9 62.4 47.0 68 77 A P + 0 0 73 0, 0.0 -44,-0.2 0, 0.0 -4,-0.1 -0.351 48.1 171.7 -78.7 57.0 22.1 60.6 48.2 69 78 A L - 0 0 6 -2,-1.9 -44,-0.2 -6,-0.2 -2,-0.0 -0.412 35.8-134.7 -68.4 150.0 22.4 62.8 51.3 70 79 A D S S+ 0 0 3 -46,-2.7 -60,-0.5 -2,-0.1 2,-0.3 0.402 81.5 27.5 -94.8 3.3 25.1 61.7 53.7 71 80 A A - 0 0 0 -47,-0.4 2,-0.3 69,-0.2 -45,-0.2 -0.989 63.4-143.1-156.8 150.8 23.0 62.1 56.9 72 81 A A E -b 142 0A 0 69,-2.7 71,-3.2 -2,-0.3 2,-0.4 -0.860 12.8-152.0-106.2 153.1 19.4 62.0 58.1 73 82 A I E -b 143 0A 21 -2,-0.3 71,-0.2 69,-0.2 -43,-0.1 -0.996 27.0-111.0-123.8 133.2 18.0 64.3 60.7 74 83 A I - 0 0 4 69,-2.4 2,-0.6 -2,-0.4 -17,-0.1 -0.280 30.4-114.8 -60.7 139.9 15.1 63.2 62.9 75 84 A F + 0 0 21 -19,-0.3 2,-0.2 53,-0.1 -1,-0.1 -0.679 68.9 104.8 -74.7 119.4 11.8 64.9 62.3 76 85 A S - 0 0 11 -2,-0.6 2,-0.3 -20,-0.1 3,-0.1 -0.847 62.2-102.3-163.8-157.8 10.8 66.9 65.5 77 86 A E > - 0 0 44 -2,-0.2 3,-0.7 68,-0.1 4,-0.1 -0.978 12.5-133.0-139.2 153.9 10.7 70.5 66.6 78 87 A I T > S+ 0 0 24 -2,-0.3 3,-1.5 1,-0.2 69,-0.4 0.803 105.0 68.8 -70.8 -23.6 13.0 72.6 68.8 79 88 A L T 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.533 72.9 86.3 -78.7 -1.8 9.8 73.8 70.5 80 89 A V H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.778 83.8 60.1 -62.8 -24.2 9.1 70.4 72.1 81 90 A V H <> S+ 0 0 1 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.973 105.7 42.9 -72.0 -53.9 11.3 71.4 74.9 82 91 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 4,-0.2 0.880 114.8 53.9 -55.8 -34.2 9.3 74.4 76.1 83 92 A Q H ><5S+ 0 0 41 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.953 107.8 48.0 -65.6 -46.0 6.2 72.4 75.6 84 93 A A H 3<5S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.739 104.0 61.9 -70.0 -19.2 7.5 69.6 77.8 85 94 A L T 3<5S- 0 0 0 -4,-1.6 28,-2.5 -5,-0.1 -1,-0.3 0.499 131.3 -92.6 -79.5 -4.2 8.4 72.3 80.4 86 95 A G T < 5S+ 0 0 32 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.500 82.5 130.5 109.3 5.8 4.7 73.1 80.5 87 96 A M < - 0 0 1 -5,-2.2 2,-0.4 13,-0.0 -1,-0.3 -0.728 55.4-125.5 -88.2 143.0 4.0 75.8 78.0 88 97 A E - 0 0 137 -2,-0.4 13,-0.4 13,-0.2 2,-0.4 -0.715 33.7-179.3 -82.3 131.4 1.2 75.5 75.5 89 98 A V - 0 0 11 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.995 8.8-165.5-134.0 140.8 2.4 76.0 71.9 90 99 A T E -H 98 0B 53 8,-2.8 8,-2.1 -2,-0.4 2,-0.1 -0.850 14.2-164.4-120.8 159.5 0.5 75.9 68.6 91 100 A M E +H 97 0B 41 -2,-0.3 -45,-0.4 6,-0.2 -44,-0.1 -0.618 18.7 178.1-138.8 70.6 1.6 75.7 64.9 92 101 A V E >> -H 96 0B 83 4,-0.6 3,-2.1 -2,-0.1 4,-0.8 -0.632 42.5 -98.2 -74.7 132.4 -1.4 76.7 62.9 93 102 A P T 34 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.262 108.4 20.9 -52.0 135.6 -0.6 76.7 59.1 94 103 A G T 34 S+ 0 0 94 -3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.176 118.2 66.2 88.8 -14.3 0.2 80.2 57.8 95 104 A K T <4 S- 0 0 92 -3,-2.1 -1,-0.0 1,-0.1 -3,-0.0 0.646 85.2-140.9-114.3 -16.0 1.1 81.6 61.2 96 105 A G E < -H 92 0B 31 -4,-0.8 -4,-0.6 64,-0.1 -1,-0.1 -0.230 54.4 -24.8 73.1-177.0 4.3 79.8 62.5 97 106 A P E -H 91 0B 33 0, 0.0 64,-0.4 0, 0.0 2,-0.3 -0.384 64.2-176.4 -72.5 141.7 4.7 78.8 66.2 98 107 A S E -H 90 0B 41 -8,-2.1 -8,-2.8 62,-0.1 62,-0.2 -0.998 23.1-159.1-136.5 140.1 2.8 80.6 68.9 99 108 A F - 0 0 4 60,-2.2 -10,-0.2 -2,-0.3 -12,-0.0 -0.957 11.4-161.9-107.3 108.8 2.8 80.5 72.7 100 109 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.754 86.9 39.2 -62.4 -25.6 -0.6 82.1 73.7 101 110 A E S S- 0 0 105 -13,-0.4 -13,-0.2 -3,-0.1 58,-0.1 -0.681 83.2-176.0-125.1 77.1 0.7 82.6 77.2 102 111 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 55,-0.2 -0.206 37.2 -93.7 -67.6 163.3 4.4 83.7 77.1 103 112 A L + 0 0 0 53,-2.7 3,-0.1 1,-0.2 56,-0.0 -0.654 52.1 160.3 -74.5 122.8 6.6 84.2 80.1 104 113 A R + 0 0 95 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.679 57.0 28.4-123.8 -22.0 6.5 87.9 81.0 105 114 A E S > S- 0 0 99 1,-0.1 3,-1.5 73,-0.0 4,-0.4 -0.889 82.4-103.8-137.0 166.7 7.6 88.2 84.5 106 115 A E G > S+ 0 0 88 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.838 116.1 61.9 -54.0 -38.1 9.9 86.3 86.9 107 116 A Q G > S+ 0 0 122 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.760 88.3 73.0 -65.1 -27.0 6.9 84.7 88.8 108 117 A D G X S+ 0 0 33 -3,-1.5 3,-1.5 1,-0.3 4,-0.3 0.708 78.5 75.4 -59.7 -20.9 5.9 83.0 85.5 109 118 A L G X S+ 0 0 12 -3,-1.8 3,-1.2 -4,-0.4 -1,-0.3 0.752 79.9 74.1 -59.9 -22.6 8.8 80.6 85.9 110 119 A E G < S+ 0 0 161 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.736 85.7 62.8 -62.2 -24.9 6.7 78.9 88.7 111 120 A R G < S+ 0 0 100 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.775 85.3 100.0 -73.1 -22.5 4.5 77.3 86.0 112 121 A L S < S- 0 0 19 -3,-1.2 -26,-0.2 -4,-0.3 -27,-0.1 -0.251 75.4-114.2 -74.3 145.2 7.4 75.3 84.5 113 122 A R - 0 0 99 -28,-2.5 -1,-0.1 1,-0.1 5,-0.1 -0.316 42.8 -87.7 -61.4 153.9 8.1 71.6 85.2 114 123 A D > - 0 0 92 1,-0.1 3,-1.5 -2,-0.0 4,-0.3 -0.513 39.8-129.5 -56.6 131.8 11.2 70.5 87.0 115 124 A P G > S+ 0 0 17 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.806 102.5 71.4 -62.4 -26.7 13.8 70.2 84.2 116 125 A E G 3 S+ 0 0 152 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.684 97.4 50.1 -61.7 -18.4 14.7 66.7 85.4 117 126 A V G <> S+ 0 0 56 -3,-1.5 4,-1.3 1,-0.1 -1,-0.2 0.522 83.9 89.3 -99.3 -4.3 11.3 65.4 84.2 118 127 A V H <> S+ 0 0 0 -3,-1.4 4,-1.1 -4,-0.3 3,-0.3 0.889 81.8 58.2 -60.3 -40.6 11.4 66.8 80.7 119 128 A A H >4 S+ 0 0 18 -4,-0.4 3,-1.0 1,-0.3 -1,-0.2 0.922 104.4 51.0 -58.8 -41.2 13.1 63.8 79.2 120 129 A S H >4 S+ 0 0 90 1,-0.3 3,-1.0 -4,-0.3 -1,-0.3 0.845 107.6 53.9 -68.9 -28.3 10.3 61.5 80.4 121 130 A E H 3< S+ 0 0 86 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.3 0.716 106.2 54.9 -73.6 -17.2 7.8 63.8 78.7 122 131 A L T XX + 0 0 0 -4,-1.1 3,-1.4 -3,-1.0 4,-1.3 0.119 66.3 120.3-106.0 22.1 9.7 63.5 75.5 123 132 A G H <> + 0 0 25 -3,-1.0 4,-2.5 1,-0.3 5,-0.2 0.835 68.7 65.3 -51.8 -35.0 9.7 59.7 75.2 124 133 A Y H 3> S+ 0 0 34 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.831 98.7 52.1 -61.8 -33.5 7.9 60.0 71.9 125 134 A V H <> S+ 0 0 3 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.891 108.9 50.0 -64.2 -44.2 10.9 61.7 70.4 126 135 A F H X S+ 0 0 41 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.896 108.7 52.8 -64.1 -38.5 13.1 58.8 71.6 127 136 A Q H X S+ 0 0 123 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.878 109.7 49.0 -61.1 -40.5 10.7 56.3 70.0 128 137 A A H X S+ 0 0 1 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.9 50.4 -65.0 -42.0 10.9 58.2 66.7 129 138 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 112.5 45.6 -61.9 -46.8 14.7 58.1 66.9 130 139 A T H X S+ 0 0 54 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.946 115.0 47.7 -64.1 -46.4 14.9 54.3 67.6 131 140 A L H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 113.2 46.9 -58.7 -46.9 12.4 53.5 64.9 132 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.885 110.4 52.8 -67.2 -39.3 14.1 55.7 62.3 133 142 A R H X>S+ 0 0 51 -4,-2.5 4,-0.9 1,-0.2 5,-0.6 0.899 112.6 45.5 -64.1 -37.6 17.5 54.3 63.1 134 143 A Q H <5S+ 0 0 94 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.913 114.8 47.1 -68.3 -44.0 16.2 50.8 62.6 135 144 A R H <5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.885 104.7 60.0 -70.0 -34.3 14.3 51.6 59.4 136 145 A L H ><5S- 0 0 11 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 0.814 91.1-157.3 -63.6 -27.6 17.4 53.5 58.0 137 146 A A T 3<5 - 0 0 54 -4,-0.9 -3,-0.1 -3,-0.3 -133,-0.1 0.821 64.5 -52.5 56.4 39.0 19.2 50.1 58.3 138 147 A G T 3 - 0 0 0 60,-2.4 4,-2.6 -2,-0.2 5,-0.3 -0.380 33.8-105.1 -73.1 154.4 20.0 76.2 72.4 149 158 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.908 117.4 47.0 -50.1 -51.5 19.0 77.8 75.7 150 159 A W H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 113.2 48.5 -58.0 -49.8 19.0 81.4 74.5 151 160 A T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.921 112.4 48.5 -60.1 -40.7 17.0 80.6 71.4 152 161 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.938 108.7 55.1 -64.3 -42.0 14.5 78.6 73.4 153 162 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 5,-0.3 0.893 101.3 58.1 -55.4 -41.0 14.2 81.4 75.8 154 163 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 6,-0.4 0.883 108.2 45.7 -59.3 -41.2 13.3 83.9 73.0 155 164 A Y H X S+ 0 0 36 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.897 111.3 52.8 -66.9 -39.1 10.4 81.8 72.0 156 165 A M H < S+ 0 0 0 -4,-2.1 -53,-2.7 2,-0.2 -2,-0.2 0.848 120.6 31.7 -67.8 -31.9 9.2 81.4 75.6 157 166 A V H < S+ 0 0 0 -4,-2.2 -2,-0.2 -55,-0.2 -3,-0.2 0.881 123.4 43.1 -91.5 -47.6 9.3 85.2 76.3 158 167 A E H < S- 0 0 33 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.828 96.2-135.2 -73.2 -29.1 8.4 86.6 72.9 159 168 A G S < S- 0 0 8 -4,-1.9 -60,-2.2 -5,-0.4 2,-0.3 0.532 74.2 -11.5 88.0 8.9 5.6 84.0 72.3 160 169 A G S S- 0 0 10 -6,-0.4 -1,-0.2 -62,-0.2 -2,-0.1 -0.954 109.7 -17.5 157.1-167.7 6.8 83.4 68.7 161 170 A G - 0 0 62 -64,-0.4 2,-0.3 -2,-0.3 0, 0.0 -0.223 55.6-174.7 -62.3 155.3 9.2 84.9 66.1 162 171 A S - 0 0 34 1,-0.1 -4,-0.0 3,-0.0 -3,-0.0 -0.973 31.4-146.6-155.0 142.6 10.5 88.5 66.4 163 172 A S S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.655 104.1 20.8 -80.1 -17.0 12.6 90.8 64.3 164 173 A T S S- 0 0 78 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.580 81.5-139.1-120.5 -21.6 14.2 92.4 67.4 165 174 A M > + 0 0 0 1,-0.1 4,-2.8 3,-0.1 5,-0.3 0.855 45.8 157.4 52.7 37.1 13.8 90.1 70.4 166 175 A A H > + 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.843 67.5 43.8 -65.1 -34.5 13.0 93.3 72.3 167 176 A Q H > S+ 0 0 80 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.926 115.5 47.0 -75.7 -44.2 11.2 91.5 75.1 168 177 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.904 115.4 46.6 -62.9 -40.3 13.7 88.7 75.5 169 178 A K H X S+ 0 0 60 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.847 105.1 59.9 -70.6 -33.2 16.5 91.2 75.5 170 179 A R H X>S+ 0 0 143 -4,-1.5 4,-3.3 -5,-0.3 5,-0.5 0.911 104.0 52.8 -57.3 -39.3 14.7 93.4 78.0 171 180 A W H X5S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 8,-0.3 0.919 107.1 51.4 -59.3 -46.8 14.8 90.3 80.3 172 181 A L H <5S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 119.7 34.0 -60.9 -40.6 18.5 90.1 79.8 173 182 A Y H <5S+ 0 0 162 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.884 132.0 28.2 -79.6 -40.2 19.1 93.8 80.7 174 183 A Q H <5S+ 0 0 125 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.698 132.0 31.9 -96.1 -25.3 16.3 94.3 83.3 175 184 A R X< + 0 0 84 -4,-2.3 4,-2.6 -5,-0.5 -1,-0.2 -0.438 66.3 150.8-129.1 56.7 16.0 90.8 84.8 176 185 A P H > S+ 0 0 58 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.880 75.2 50.0 -61.2 -38.4 19.5 89.2 84.5 177 186 A Q H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.931 113.2 44.3 -63.3 -50.6 19.0 87.0 87.5 178 187 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.831 112.6 54.8 -66.4 -35.8 15.6 85.6 86.3 179 188 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 -8,-0.3 5,-0.2 0.958 107.8 47.2 -58.5 -54.2 17.2 85.2 82.8 180 189 A H H X S+ 0 0 66 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.914 111.3 54.1 -56.8 -35.1 20.1 83.1 84.2 181 190 A Q H X S+ 0 0 92 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.954 110.9 43.5 -65.7 -47.4 17.5 81.1 86.1 182 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.913 113.4 52.3 -59.7 -46.7 15.4 80.3 82.9 183 192 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.867 110.3 48.1 -63.3 -36.0 18.6 79.6 81.0 184 193 A R H X S+ 0 0 92 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.884 109.3 52.5 -69.7 -40.4 19.7 77.1 83.6 185 194 A I H X S+ 0 0 26 -4,-2.2 4,-1.6 -5,-0.2 5,-0.2 0.952 112.1 47.7 -55.3 -48.9 16.3 75.5 83.7 186 195 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.916 111.7 48.0 -59.1 -47.1 16.6 75.1 79.9 187 196 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 110.7 51.8 -59.9 -44.9 20.1 73.7 80.0 188 197 A D H < S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.755 114.1 43.8 -70.2 -23.6 19.1 71.2 82.8 189 198 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.833 112.4 53.4 -81.3 -38.8 16.2 70.0 80.6 190 199 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.868 100.7 59.1 -65.2 -40.2 18.2 69.9 77.5 191 200 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.961 109.5 39.3 -59.3 -55.8 21.0 67.7 78.8 192 201 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.819 116.5 54.6 -66.3 -31.3 19.0 64.6 79.8 193 202 A Y H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.949 111.3 42.7 -61.9 -48.7 16.9 65.1 76.6 194 203 A L H X S+ 0 0 1 -4,-3.1 4,-1.6 2,-0.2 -3,-0.2 0.904 113.6 52.0 -66.5 -41.2 20.0 65.1 74.3 195 204 A V H X S+ 0 0 20 -4,-2.6 4,-2.5 -5,-0.3 3,-0.4 0.954 109.1 51.4 -55.7 -50.7 21.5 62.2 76.3 196 205 A G H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.841 103.9 57.7 -56.4 -37.7 18.2 60.3 75.8 197 206 A Q H <>S+ 0 0 1 -4,-1.9 5,-2.8 2,-0.2 4,-0.3 0.888 109.6 44.3 -60.8 -40.4 18.3 61.0 72.0 198 207 A V H ><5S+ 0 0 15 -4,-1.6 3,-1.4 -3,-0.4 -2,-0.2 0.919 110.2 54.2 -72.2 -41.2 21.7 59.3 71.8 199 208 A V H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.915 109.3 50.7 -56.3 -39.2 20.5 56.4 74.1 200 209 A A T 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.573 137.5 -79.3 -76.3 -13.3 17.6 55.9 71.6 201 210 A G T < 5S+ 0 0 1 -3,-1.4 -59,-0.3 -4,-0.3 -3,-0.2 0.367 74.0 148.2 133.5 -9.1 20.0 55.9 68.6 202 211 A A < - 0 0 3 -5,-2.8 -1,-0.3 -6,-0.1 -59,-0.2 -0.334 26.4-165.8 -59.2 139.0 21.1 59.3 67.6 203 212 A Q S S+ 0 0 24 -61,-3.2 2,-0.3 1,-0.2 -60,-0.2 0.398 71.5 11.5-108.1 -3.2 24.6 59.2 66.1 204 213 A A E -c 143 0A 0 -62,-0.7 -60,-3.1 43,-0.2 2,-0.4 -0.924 69.0-139.8-164.5 163.5 25.3 63.0 66.2 205 214 A L E -cd 144 249A 2 43,-2.1 45,-3.0 -2,-0.3 2,-0.5 -0.997 6.4-163.1-138.2 133.1 23.7 66.1 67.8 206 215 A Q E -cd 145 250A 1 -62,-1.9 -60,-1.8 -2,-0.4 2,-0.5 -0.967 6.4-157.2-117.5 131.4 23.1 69.6 66.5 207 216 A L E -cd 146 251A 3 43,-2.7 45,-2.4 -2,-0.5 2,-0.9 -0.950 14.0-146.4-105.3 121.5 22.2 72.5 68.8 208 217 A F E +cd 147 252A 31 -62,-2.4 -60,-2.4 -2,-0.5 2,-0.9 -0.811 22.1 175.7 -95.0 102.1 20.4 75.3 67.0 209 218 A E E > + d 0 253A 0 43,-2.5 3,-1.3 -2,-0.9 45,-1.0 -0.613 18.8 160.9 -94.7 67.2 21.2 78.7 68.4 210 219 A S T 3 + 0 0 23 -2,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.700 66.3 49.9 -64.5 -19.6 19.1 80.3 65.6 211 220 A H T > S+ 0 0 26 -3,-0.2 3,-1.0 1,-0.2 4,-0.3 0.050 70.4 113.0-112.6 24.0 18.7 83.7 67.4 212 221 A A G X> + 0 0 0 -3,-1.3 3,-1.7 42,-0.3 4,-0.8 0.820 66.2 70.8 -57.0 -38.6 22.4 84.4 68.3 213 222 A G G 34 S+ 0 0 31 41,-1.2 -1,-0.2 -3,-0.3 42,-0.1 0.708 87.2 61.9 -57.0 -29.0 22.4 87.3 65.9 214 223 A H G <4 S+ 0 0 53 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.710 100.8 58.0 -72.5 -20.9 20.2 89.5 68.0 215 224 A L T <4 S- 0 0 13 -3,-1.7 4,-0.5 -4,-0.3 -2,-0.2 0.905 78.7-155.8 -79.5 -51.7 22.7 89.4 70.9 216 225 A G X - 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