==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-11 4A6D . COMPND 2 MOLECULE: HYDROXYINDOLE O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LEGRAND,A.HAOUZ,W.SHEPARD . 346 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 38.2 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 0 3 0 3 1 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 1 0 2 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 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 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 1 A M 0 0 50 0, 0.0 2,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-132.0 15.9 61.4 42.4 2 2 A G > - 0 0 28 1,-0.1 3,-1.4 4,-0.1 8,-0.1 -0.619 360.0-118.4 -81.0 145.6 18.1 64.2 41.2 3 3 A S T 3 S+ 0 0 111 1,-0.2 -1,-0.1 -2,-0.2 7,-0.0 0.769 114.2 43.1 -53.4 -31.2 21.7 63.3 40.1 4 4 A S T 3 S+ 0 0 121 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.434 92.8 106.2 -96.9 -4.1 23.2 65.5 42.8 5 5 A E S < S- 0 0 95 -3,-1.4 2,-0.1 1,-0.1 5,-0.1 -0.261 84.1 -77.2 -75.7 163.4 20.8 64.5 45.7 6 6 A D >> - 0 0 114 1,-0.1 4,-1.6 3,-0.0 3,-1.3 -0.380 40.2-119.8 -65.7 135.4 21.8 62.3 48.7 7 7 A Q H 3> S+ 0 0 152 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.696 111.8 56.3 -44.4 -35.1 21.9 58.5 47.9 8 8 A A H 3> S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.838 107.5 48.6 -70.7 -35.7 19.1 57.7 50.5 9 9 A Y H <> S+ 0 0 102 -3,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.857 111.2 50.0 -71.0 -37.4 16.7 60.2 48.8 10 10 A R H X S+ 0 0 75 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.883 111.6 49.6 -67.5 -39.2 17.5 58.6 45.4 11 11 A L H X S+ 0 0 79 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.926 108.6 51.0 -66.6 -47.5 16.9 55.2 46.8 12 12 A L H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.865 112.2 48.3 -56.2 -40.4 13.5 56.2 48.4 13 13 A N H X S+ 0 0 38 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.920 106.7 55.4 -69.6 -41.4 12.4 57.6 45.0 14 14 A D H X S+ 0 0 98 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.891 113.1 43.2 -53.1 -46.5 13.5 54.5 43.1 15 15 A Y H >< S+ 0 0 167 -4,-2.0 3,-0.8 2,-0.2 4,-0.4 0.905 113.9 49.5 -69.7 -44.5 11.2 52.5 45.4 16 16 A A H 3< S+ 0 0 53 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.867 114.7 44.9 -64.4 -35.0 8.4 55.0 45.2 17 17 A N H >X S+ 0 0 69 -4,-2.9 3,-1.3 1,-0.2 4,-1.2 0.508 84.3 98.3 -86.3 -7.3 8.5 55.1 41.4 18 18 A G H S+ 0 0 110 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.3 0.849 104.4 51.9 -59.6 -34.6 5.1 50.8 40.3 20 20 A M H <> S+ 0 0 88 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.880 109.4 48.7 -67.6 -42.0 5.5 53.2 37.2 21 21 A V H X S+ 0 0 66 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.871 110.9 51.3 -67.0 -38.9 8.4 51.2 35.8 22 22 A S H X S+ 0 0 48 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.958 111.8 46.7 -62.9 -50.4 6.4 47.9 36.3 23 23 A Q H X S+ 0 0 61 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.805 107.7 55.8 -62.9 -32.6 3.4 49.4 34.4 24 24 A V H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.947 112.8 43.0 -61.6 -47.7 5.6 50.7 31.6 25 25 A L H X S+ 0 0 39 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.910 116.8 47.1 -61.8 -47.5 6.9 47.1 31.1 26 26 A F H X S+ 0 0 19 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.887 115.2 45.2 -62.2 -45.5 3.4 45.6 31.4 27 27 A A H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.847 110.0 53.5 -69.9 -37.1 1.8 48.2 29.0 28 28 A A H X>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.2 4,-0.7 0.885 114.1 44.3 -63.5 -37.0 4.7 47.8 26.5 29 29 A C H ><5S+ 0 0 4 -4,-1.8 3,-0.8 2,-0.2 -2,-0.2 0.942 113.7 48.8 -69.7 -51.0 3.8 44.0 26.6 30 30 A E H 3<5S+ 0 0 117 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 112.8 48.7 -57.6 -38.2 0.0 44.6 26.4 31 31 A L H 3<5S- 0 0 64 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.656 107.7-127.0 -79.1 -14.6 0.5 46.9 23.4 32 32 A G T S+ 0 0 2 -6,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.845 111.8 49.9 -63.6 -38.8 8.4 44.3 21.1 35 35 A D H > S+ 0 0 36 59,-0.2 4,-1.7 2,-0.2 3,-0.2 0.932 111.0 48.9 -65.5 -48.5 6.5 41.9 18.7 36 36 A L H X S+ 0 0 44 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.840 112.5 49.2 -57.8 -40.6 5.9 44.8 16.2 37 37 A L H < S+ 0 0 14 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.784 112.6 47.2 -70.2 -32.3 9.7 45.7 16.4 38 38 A A H < S+ 0 0 54 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.715 114.0 47.8 -79.9 -25.7 10.7 42.0 15.9 39 39 A E H < S+ 0 0 162 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.606 93.6 97.8 -88.5 -18.6 8.2 41.6 12.9 40 40 A A S < S- 0 0 23 -4,-0.9 4,-0.1 -5,-0.2 -3,-0.0 -0.284 83.2-122.0 -68.0 154.0 9.4 44.9 11.2 41 41 A P S S- 0 0 148 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.725 88.6 -27.8 -71.6 -17.8 12.1 44.8 8.4 42 42 A G S S- 0 0 33 1,-0.0 -2,-0.1 -5,-0.0 2,-0.1 -0.798 103.9 -25.4-164.5-155.7 14.3 47.0 10.5 43 43 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.436 59.4-141.9 -73.8 152.5 14.1 49.7 13.3 44 44 A L B -A 84 0A 30 40,-1.9 40,-2.8 -2,-0.1 2,-0.1 -0.909 1.6-133.5-118.4 146.6 10.9 51.8 13.6 45 45 A D > - 0 0 32 -2,-0.3 4,-1.8 38,-0.2 3,-0.5 -0.297 39.4 -94.4 -85.1 172.7 10.1 55.5 14.4 46 46 A V H > S+ 0 0 27 36,-0.4 4,-3.3 1,-0.2 5,-0.2 0.904 124.8 50.8 -51.8 -52.6 7.4 56.8 16.9 47 47 A A H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.778 111.2 48.5 -59.9 -32.4 4.7 57.3 14.1 48 48 A A H > S+ 0 0 37 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.804 116.0 43.0 -78.1 -33.1 5.3 53.7 12.8 49 49 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 -3,-0.2 5,-0.3 0.970 113.4 51.3 -73.4 -54.9 5.1 52.2 16.4 50 50 A A H X>S+ 0 0 9 -4,-3.3 5,-2.6 1,-0.2 4,-0.6 0.807 113.9 45.5 -49.0 -41.1 2.0 54.4 17.3 51 51 A A H <5S+ 0 0 64 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.881 114.0 48.5 -70.7 -42.2 0.2 53.2 14.1 52 52 A G H <5S+ 0 0 23 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.732 118.9 37.3 -70.6 -31.0 1.2 49.5 14.6 53 53 A V H <5S- 0 0 17 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.477 109.3-123.3 -97.4 -7.9 0.1 49.4 18.3 54 54 A R T <5 + 0 0 212 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.973 66.8 124.9 58.7 61.9 -3.0 51.6 17.6 55 55 A A < - 0 0 41 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.857 63.4 -74.5-140.8 170.3 -2.0 54.3 20.2 56 56 A S > - 0 0 78 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.405 32.0-127.5 -73.9 148.5 -1.4 58.0 20.6 57 57 A A H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 110.5 45.1 -56.6 -55.9 1.8 59.8 19.4 58 58 A H H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 116.4 46.5 -57.0 -49.1 2.6 61.4 22.7 59 59 A G H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.877 112.5 48.9 -60.2 -46.5 1.8 58.2 24.7 60 60 A T H X S+ 0 0 5 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.921 111.6 49.1 -61.8 -48.1 3.9 56.0 22.4 61 61 A E H X S+ 0 0 86 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.904 111.8 48.5 -60.7 -44.4 7.0 58.3 22.5 62 62 A L H X S+ 0 0 82 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.962 115.0 46.2 -58.6 -48.7 6.8 58.5 26.3 63 63 A L H X S+ 0 0 26 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.891 115.8 43.6 -59.7 -50.3 6.6 54.7 26.4 64 64 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.912 114.3 50.6 -64.1 -45.6 9.4 54.1 23.9 65 65 A D H X S+ 0 0 60 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.895 110.8 48.0 -62.3 -40.5 11.7 56.7 25.5 66 66 A I H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.1 53.7 -64.2 -42.1 11.2 55.3 29.0 67 67 A C H <>S+ 0 0 1 -4,-2.1 5,-2.9 2,-0.2 6,-1.5 0.845 108.0 50.4 -58.8 -38.3 11.9 51.7 27.5 68 68 A V H ><5S+ 0 0 33 -4,-2.0 3,-1.5 4,-0.2 -1,-0.2 0.947 111.4 47.0 -65.0 -50.2 15.2 53.1 26.0 69 69 A S H 3<5S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.815 111.9 51.9 -58.7 -36.2 16.3 54.6 29.5 70 70 A L T 3<5S- 0 0 56 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.493 115.0-119.2 -78.5 -7.2 15.3 51.3 31.2 71 71 A K T < 5S+ 0 0 156 -3,-1.5 18,-0.2 2,-0.3 -3,-0.2 0.705 86.6 114.7 71.8 23.4 17.5 49.3 28.6 72 72 A L S -B 81 0A 124 3,-2.4 3,-0.8 -2,-0.4 -2,-0.0 -0.946 65.5 -47.9-139.7 114.4 18.6 58.8 11.1 79 79 A G T 3 S- 0 0 78 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 -0.287 121.9 -18.0 59.9-135.0 18.0 62.3 9.7 80 80 A G T 3 S+ 0 0 81 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.238 123.7 79.2 -93.8 43.2 15.4 64.2 11.7 81 81 A K E < - B 0 78A 119 -3,-0.8 -3,-2.4 -2,-0.4 2,-0.3 -0.975 69.2-129.8-157.0 141.1 14.1 61.0 13.5 82 82 A A E - B 0 77A 33 -2,-0.3 2,-0.4 -5,-0.2 -36,-0.4 -0.639 24.3-157.7 -83.3 139.3 14.7 58.5 16.3 83 83 A F E - B 0 76A 36 -7,-2.6 -7,-1.3 -2,-0.3 2,-0.3 -0.996 6.2-150.1-126.0 123.6 14.5 54.8 15.3 84 84 A Y E +AB 44 75A 2 -40,-2.8 -40,-1.9 -2,-0.4 2,-0.3 -0.709 16.6 174.9 -98.6 145.2 13.9 52.1 18.0 85 85 A R E - B 0 74A 71 -11,-2.2 -11,-2.4 -2,-0.3 -47,-0.1 -0.947 33.4 -94.8-143.3 158.8 15.0 48.5 18.0 86 86 A N E - B 0 73A 29 -2,-0.3 -13,-0.2 -13,-0.2 2,-0.1 -0.338 31.7-139.1 -73.3 156.9 14.9 45.5 20.4 87 87 A T > - 0 0 23 -15,-0.9 4,-1.7 -2,-0.1 5,-0.2 -0.356 34.8 -97.2 -98.2-175.5 17.7 44.6 22.8 88 88 A E H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 126.6 54.1 -70.7 -40.0 19.0 41.1 23.7 89 89 A L H > S+ 0 0 76 -18,-0.2 4,-2.6 1,-0.2 5,-0.3 0.892 112.2 39.7 -54.3 -58.0 16.6 41.3 26.7 90 90 A S H > S+ 0 0 0 -18,-0.4 4,-1.8 2,-0.2 5,-0.3 0.829 115.1 51.8 -68.6 -35.9 13.4 42.2 24.8 91 91 A S H X S+ 0 0 52 -4,-1.7 4,-0.6 3,-0.2 7,-0.3 0.953 119.2 36.5 -65.0 -47.8 14.1 39.8 21.9 92 92 A D H < S+ 0 0 56 -4,-2.5 8,-0.2 -5,-0.2 -2,-0.2 0.807 135.2 18.8 -74.6 -38.0 14.7 36.9 24.3 93 93 A Y H < S+ 0 0 97 -4,-2.6 9,-3.3 -5,-0.2 10,-0.3 0.533 125.9 43.7-115.2 -8.7 12.1 37.6 27.0 94 94 A L H < S+ 0 0 5 -4,-1.8 2,-0.4 -5,-0.3 -59,-0.2 0.359 88.0 88.5-123.0 2.4 9.5 40.0 25.5 95 95 A T S >< S- 0 0 5 -4,-0.6 3,-0.6 -5,-0.3 6,-0.2 -0.872 70.7-135.2-104.1 137.9 8.8 38.7 22.0 96 96 A T T 3 S+ 0 0 88 -2,-0.4 5,-0.2 1,-0.2 -1,-0.1 0.838 103.6 55.1 -57.7 -38.2 6.0 36.1 21.5 97 97 A V T 3 S+ 0 0 134 3,-0.1 -1,-0.2 -3,-0.0 -5,-0.1 0.764 84.5 100.8 -68.4 -30.8 8.1 33.9 19.2 98 98 A S S X S- 0 0 17 -3,-0.6 3,-1.2 -7,-0.3 -6,-0.1 -0.306 70.9-141.2 -58.4 137.0 11.0 33.5 21.7 99 99 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 66,-0.1 0.903 105.1 51.3 -66.2 -33.4 11.0 30.2 23.6 100 100 A T T 3 S+ 0 0 34 -8,-0.2 -2,-0.1 65,-0.1 -8,-0.1 0.196 82.6 151.0 -87.5 15.4 12.1 32.1 26.7 101 101 A S < - 0 0 10 -3,-1.2 -7,-0.2 -5,-0.2 -8,-0.2 -0.139 28.7-175.4 -50.6 132.9 9.2 34.6 26.4 102 102 A Q >> + 0 0 36 -9,-3.3 4,-1.9 1,-0.1 3,-0.6 0.339 50.7 112.3-115.7 7.1 8.0 36.1 29.7 103 103 A C H 3> S+ 0 0 5 -10,-0.3 4,-2.6 1,-0.2 5,-0.2 0.771 72.3 48.1 -41.3 -63.6 5.1 38.1 28.0 104 104 A S H 3> S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 55,-0.3 0.783 112.4 49.4 -60.2 -33.7 2.0 36.3 29.4 105 105 A M H <> S+ 0 0 39 -3,-0.6 4,-2.9 54,-0.3 -1,-0.2 0.907 111.6 49.3 -71.8 -43.4 3.3 36.4 33.0 106 106 A L H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.945 112.3 47.1 -61.0 -47.5 4.0 40.2 32.7 107 107 A K H X S+ 0 0 50 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.877 114.0 49.3 -60.1 -40.3 0.5 40.8 31.3 108 108 A Y H X>S+ 0 0 17 -4,-1.7 4,-2.8 2,-0.2 5,-0.8 0.908 110.2 48.8 -66.5 -46.0 -0.9 38.6 34.1 109 109 A M H <>S+ 0 0 53 -4,-2.9 5,-2.8 1,-0.2 6,-0.2 0.900 115.0 48.2 -57.0 -41.8 1.1 40.5 36.9 110 110 A G H <5S+ 0 0 14 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.884 118.1 37.6 -65.5 -44.0 -0.2 43.8 35.3 111 111 A R H <5S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.773 134.9 10.1 -82.3 -35.1 -3.8 42.7 35.1 112 112 A T T X5S+ 0 0 17 -4,-2.8 4,-2.3 -5,-0.2 -3,-0.2 0.813 125.3 43.8-112.5 -64.1 -4.3 40.8 38.4 113 113 A S H >4 S+ 0 0 131 -6,-0.2 3,-1.9 2,-0.2 4,-0.5 0.976 113.5 48.4 -57.9 -57.6 -4.7 45.3 41.2 116 116 A C H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.867 104.0 62.0 -48.5 -47.2 -4.5 43.0 44.3 117 117 A W H >< S+ 0 0 71 -4,-2.8 3,-1.5 1,-0.3 -1,-0.3 0.657 87.5 70.3 -61.4 -17.3 -1.3 44.7 45.6 118 118 A G T << S+ 0 0 68 -3,-1.9 3,-0.3 -4,-0.6 -1,-0.3 0.800 98.3 52.4 -67.3 -26.2 -3.2 48.1 45.9 119 119 A H T <> S+ 0 0 51 -3,-2.1 4,-1.8 -4,-0.5 3,-0.3 0.041 75.7 118.8 -96.3 25.6 -5.0 46.3 48.9 120 120 A L H <> + 0 0 45 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.875 68.4 56.7 -58.2 -47.5 -1.6 45.3 50.5 121 121 A A H > S+ 0 0 57 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.855 111.4 43.3 -56.6 -37.9 -2.2 47.3 53.7 122 122 A D H > S+ 0 0 57 -3,-0.3 4,-3.2 2,-0.2 6,-0.3 0.833 110.9 53.3 -78.0 -35.0 -5.4 45.4 54.4 123 123 A A H X>S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 5,-0.5 0.895 116.2 41.3 -65.0 -37.6 -3.9 42.0 53.4 124 124 A V H <5S+ 0 0 89 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.964 116.7 49.9 -69.2 -53.3 -1.1 42.8 56.0 125 125 A R H <5S+ 0 0 190 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.861 124.8 27.3 -50.2 -48.5 -3.8 44.2 58.5 126 126 A E H <5S- 0 0 78 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.619 97.1-129.3 -93.9 -21.9 -6.1 41.2 58.2 127 127 A G T <5S+ 0 0 49 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.750 72.9 99.3 73.3 29.3 -3.6 38.4 57.4 128 128 A R S + 0 0 0 174,-1.9 4,-1.8 1,-0.1 5,-0.3 -0.057 56.6 122.2-121.5 32.5 -8.2 40.2 48.8 131 131 A Y H >>S+ 0 0 4 174,-0.2 4,-2.8 1,-0.2 6,-0.8 0.888 84.4 46.9 -62.0 -38.1 -10.0 38.7 45.8 132 132 A L H >5S+ 0 0 101 4,-0.2 4,-0.8 3,-0.2 -1,-0.2 0.888 115.2 45.5 -68.8 -39.3 -13.4 39.7 47.1 133 133 A E H 45S+ 0 0 76 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.714 124.7 33.2 -75.9 -23.2 -12.1 43.3 47.9 134 134 A T H <5S+ 0 0 13 -4,-1.8 -2,-0.2 3,-0.1 -3,-0.2 0.826 136.0 16.1 -98.6 -48.9 -10.4 43.7 44.5 135 135 A F H <5S- 0 0 41 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.490 89.2-123.7-108.6 -8.6 -12.5 41.7 42.0 136 136 A G S <> S- 0 0 139 -3,-0.2 4,-1.0 1,-0.1 3,-0.7 -0.998 94.1-145.2-121.5 105.7 -12.4 27.9 47.0 142 142 A L H 3> S+ 0 0 3 -2,-0.5 4,-1.5 1,-0.2 3,-0.5 0.845 89.8 47.3 -45.0 -52.7 -9.0 29.5 45.9 143 143 A F H 3> S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.704 102.2 61.2 -72.7 -20.1 -8.9 28.4 42.2 144 144 A T H <4 S+ 0 0 90 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.829 110.3 44.8 -72.6 -27.9 -12.6 29.4 41.3 145 145 A A H >< S+ 0 0 0 -4,-1.0 3,-0.7 -3,-0.5 -2,-0.2 0.873 115.7 46.3 -76.1 -41.1 -11.5 33.0 42.2 146 146 A I H 3< S+ 0 0 11 -4,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.867 118.9 41.5 -67.9 -42.5 -8.2 32.6 40.2 147 147 A Y T 3< S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.2 6,-0.1 -0.465 71.0 151.2-104.1 56.9 -10.1 31.0 37.1 148 148 A R S < S+ 0 0 94 -3,-0.7 2,-0.3 -2,-0.4 -1,-0.2 0.583 71.2 11.2 -64.1 -11.5 -13.0 33.6 37.3 149 149 A S S > S- 0 0 43 -3,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.960 78.8-107.6-159.5 161.9 -13.5 33.1 33.5 150 150 A E H > S+ 0 0 107 -2,-0.3 4,-2.3 2,-0.2 3,-0.2 0.926 120.8 45.5 -58.7 -50.6 -12.3 30.9 30.5 151 151 A G H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.745 112.8 52.3 -64.7 -28.1 -10.1 33.6 29.0 152 152 A E H > S+ 0 0 73 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.788 108.9 49.4 -79.7 -29.2 -8.7 34.3 32.5 153 153 A R H X S+ 0 0 28 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.908 110.9 49.6 -74.9 -41.7 -7.9 30.6 33.0 154 154 A L H X S+ 0 0 36 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.932 112.8 48.4 -59.9 -45.9 -6.1 30.4 29.5 155 155 A Q H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 111.5 48.2 -61.3 -47.3 -4.1 33.6 30.6 156 156 A F H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.938 115.1 46.5 -56.2 -49.5 -3.1 32.1 34.0 157 157 A M H X S+ 0 0 8 -4,-2.5 4,-1.3 1,-0.2 33,-0.3 0.831 113.7 46.8 -61.5 -40.2 -2.1 28.9 32.3 158 158 A Q H X S+ 0 0 66 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.856 113.1 51.7 -70.7 -37.3 -0.1 30.7 29.6 159 159 A A H >< S+ 0 0 1 -4,-2.5 3,-0.8 -55,-0.3 4,-0.4 0.943 109.1 48.0 -65.2 -51.2 1.6 32.9 32.3 160 160 A L H >< S+ 0 0 14 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.785 103.0 60.5 -63.6 -31.6 2.7 30.0 34.5 161 161 A Q H >< S+ 0 0 57 -4,-1.3 3,-0.6 1,-0.2 4,-0.5 0.762 89.9 75.6 -66.7 -27.0 4.3 27.9 31.7 162 162 A E T X< S+ 0 0 19 -3,-0.8 3,-1.0 -4,-0.7 4,-0.4 0.799 84.3 58.6 -57.7 -40.6 6.8 30.7 30.9 163 163 A V T X> S+ 0 0 15 -3,-0.6 4,-3.4 -4,-0.4 3,-1.6 0.860 97.6 62.7 -62.6 -33.9 9.2 30.3 33.9 164 164 A W H <> S+ 0 0 4 -3,-0.6 4,-1.4 -4,-0.4 5,-0.3 0.736 89.0 67.8 -65.8 -20.5 10.0 26.7 32.9 165 165 A S H <4 S+ 0 0 44 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.747 120.4 20.7 -68.0 -23.7 11.5 27.8 29.6 166 166 A V H <4 S+ 0 0 67 -3,-1.6 -2,-0.2 -4,-0.4 4,-0.2 0.739 137.6 31.7-109.4 -43.3 14.3 29.4 31.7 167 167 A N H X S+ 0 0 7 -4,-3.4 4,-1.5 1,-0.1 -3,-0.2 0.559 94.3 90.5 -96.0 -14.6 14.1 27.6 35.1 168 168 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.4 5,-0.2 0.875 85.3 48.1 -50.0 -54.3 12.9 24.1 33.9 169 169 A R H > S+ 0 0 157 -5,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.851 108.5 54.9 -59.8 -40.7 16.3 22.4 33.3 170 170 A S H > S+ 0 0 40 -3,-0.2 4,-0.8 -4,-0.2 -1,-0.2 0.943 113.0 40.2 -57.5 -56.3 17.8 23.5 36.7 171 171 A V H < S+ 0 0 1 -4,-1.5 4,-0.4 1,-0.2 3,-0.4 0.862 116.5 47.8 -65.9 -40.9 15.0 22.0 38.8 172 172 A L H < S+ 0 0 0 -4,-2.0 5,-0.4 1,-0.2 -1,-0.2 0.749 117.9 41.7 -75.9 -23.3 14.5 18.8 36.9 173 173 A T H < S+ 0 0 52 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.416 85.1 92.6-103.6 0.8 18.3 18.1 36.8 174 174 A A S < S+ 0 0 25 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.1 0.861 102.7 23.6 -56.4 -39.3 19.1 19.1 40.4 175 175 A F S S- 0 0 15 -4,-0.4 2,-1.0 -3,-0.2 -1,-0.1 -0.923 96.5-104.7-125.8 150.4 18.6 15.3 41.2 176 176 A D > + 0 0 104 -2,-0.3 3,-0.6 1,-0.2 -3,-0.1 -0.691 38.4 176.2 -81.6 102.0 18.8 12.3 38.9 177 177 A L G > + 0 0 1 -2,-1.0 3,-2.2 -5,-0.4 -1,-0.2 0.389 57.4 96.3 -89.8 0.5 15.2 11.4 38.2 178 178 A S G 3 S+ 0 0 66 1,-0.3 -1,-0.2 26,-0.1 -2,-0.0 0.721 74.2 72.1 -62.0 -19.8 16.0 8.6 35.7 179 179 A V G < S+ 0 0 84 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.551 90.2 62.5 -66.9 -18.8 15.6 6.4 38.8 180 180 A F < - 0 0 4 -3,-2.2 -1,-0.2 1,-0.1 66,-0.1 -0.850 63.8-179.8-115.0 86.1 11.7 7.1 38.6 181 181 A P S S+ 0 0 78 0, 0.0 24,-2.1 0, 0.0 2,-0.5 0.855 71.7 48.5 -58.0 -37.1 10.5 5.6 35.3 182 182 A L E S-c 205 0B 62 22,-0.2 63,-2.7 24,-0.0 64,-1.4 -0.921 74.9-178.0-111.3 126.5 6.8 6.7 35.9 183 183 A M E -cd 206 246B 1 22,-2.6 24,-2.2 -2,-0.5 2,-0.4 -0.884 17.7-158.7-124.0 158.9 6.1 10.3 37.0 184 184 A C E -cd 207 247B 0 62,-2.4 64,-3.0 -2,-0.3 2,-0.9 -0.976 8.8-153.7-139.1 120.8 3.1 12.4 37.9 185 185 A D E > -cd 208 248B 0 22,-2.4 24,-3.0 -2,-0.4 3,-1.3 -0.851 19.4-152.8 -93.3 99.8 3.0 16.3 37.8 186 186 A L E 3 S+c 209 0B 0 62,-2.0 64,-0.4 -2,-0.9 24,-0.2 -0.717 85.3 6.2 -79.0 112.0 0.3 17.1 40.5 187 187 A G T 3 S+ 0 0 0 22,-3.2 -1,-0.3 -2,-0.7 23,-0.2 0.846 86.3 161.8 80.7 35.7 -1.2 20.4 39.5 188 188 A G X - 0 0 3 21,-1.4 3,-1.8 -3,-1.3 4,-0.3 0.485 21.1-169.2 -68.2 -9.3 0.9 20.2 36.3 189 189 A G T 3 - 0 0 5 20,-0.3 -1,-0.2 1,-0.3 29,-0.1 -0.278 68.2 -2.0 59.7-127.5 -1.3 22.8 34.5 190 190 A A T 3 S- 0 0 7 -33,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.596 100.7-113.3 -69.8 -16.1 -0.6 23.1 30.7 191 191 A G S <> S+ 0 0 0 -3,-1.8 4,-2.3 16,-0.0 -2,-0.1 0.629 72.1 137.6 89.1 20.4 2.2 20.5 31.0 192 192 A A H > S+ 0 0 22 -4,-0.3 4,-1.9 2,-0.2 5,-0.1 0.934 76.3 45.4 -60.1 -50.0 5.2 22.7 30.2 193 193 A L H > S+ 0 0 3 -5,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.900 113.3 51.3 -61.7 -40.7 7.4 21.3 33.0 194 194 A A H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 106.7 53.5 -64.5 -40.2 6.3 17.7 32.0 195 195 A K H X S+ 0 0 64 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.911 113.5 43.7 -59.5 -42.5 7.3 18.5 28.3 196 196 A E H X S+ 0 0 56 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.900 110.6 55.2 -68.1 -45.0 10.7 19.5 29.6 197 197 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 107.3 50.1 -55.4 -44.8 11.0 16.5 31.9 198 198 A M H < S+ 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.777 110.2 47.7 -67.8 -32.2 10.3 14.0 29.0 199 199 A S H < S+ 0 0 82 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.880 115.8 46.7 -75.5 -36.4 13.0 15.5 26.7 200 200 A L H < S+ 0 0 37 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.864 121.4 37.4 -69.3 -40.3 15.5 15.5 29.7 201 201 A Y < + 0 0 22 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.2 -0.780 66.3 177.4-118.0 85.1 14.5 11.9 30.7 202 202 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 81.2 53.1 -59.2 -26.6 13.9 9.8 27.5 203 203 A G S S+ 0 0 77 2,-0.0 -5,-0.1 25,-0.0 -2,-0.0 0.873 97.1 85.5 -74.5 -38.5 13.2 6.6 29.4 204 204 A C - 0 0 4 -3,-0.4 2,-0.3 -7,-0.1 -22,-0.2 -0.007 59.1-154.8 -64.9 160.5 10.6 8.1 31.6 205 205 A K E -c 182 0B 133 -24,-2.1 -22,-2.6 2,-0.0 2,-0.3 -0.958 13.3-159.5-134.3 147.4 6.8 8.6 31.2 206 206 A I E -ce 183 229B 3 22,-2.8 24,-2.4 -2,-0.3 2,-0.5 -0.994 14.7-154.1-137.8 141.7 4.6 11.3 32.9 207 207 A T E -ce 184 230B 14 -24,-2.2 -22,-2.4 -2,-0.3 2,-0.6 -0.945 18.0-143.8-108.6 127.9 0.9 12.0 33.7 208 208 A V E -ce 185 231B 0 22,-2.9 24,-2.5 -2,-0.5 2,-0.5 -0.827 19.6-161.9 -88.9 117.5 -0.2 15.7 34.1 209 209 A F E +ce 186 232B 0 -24,-3.0 -22,-3.2 -2,-0.6 -21,-1.4 -0.916 27.5 130.0-104.7 127.3 -2.8 15.8 37.0 210 210 A D E - e 0 233B 1 22,-1.5 24,-2.2 -2,-0.5 -24,-0.0 -0.948 59.1 -62.3-161.1 175.6 -5.1 18.9 37.3 211 211 A I >> - 0 0 34 -2,-0.3 4,-1.9 22,-0.2 3,-1.6 -0.412 55.0-107.7 -67.9 144.4 -8.7 20.1 37.7 212 212 A P H 3> S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.720 118.5 54.5 -41.4 -39.2 -11.1 19.1 34.8 213 213 A E H 3> S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.800 110.6 45.5 -67.2 -36.1 -11.2 22.8 33.5 214 214 A V H <> S+ 0 0 0 -3,-1.6 4,-2.9 2,-0.2 5,-0.2 0.927 111.7 51.2 -74.0 -46.3 -7.4 23.0 33.3 215 215 A V H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 111.9 47.7 -57.1 -43.6 -7.0 19.6 31.5 216 216 A W H X S+ 0 0 158 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.938 114.4 45.8 -64.7 -48.7 -9.7 20.6 28.9 217 217 A T H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.869 110.8 54.4 -60.9 -43.0 -8.0 24.0 28.3 218 218 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.913 112.5 42.3 -58.5 -45.9 -4.5 22.3 28.1 219 219 A K H < S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 116.4 49.3 -71.5 -32.8 -5.7 19.9 25.4 220 220 A Q H < 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