==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-OCT-08 2W0V . COMPND 2 MOLECULE: GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR I.MOCHALKIN,M.MELNICK . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 0 2 2 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 4 3 1 2 1 0 1 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 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A K 0 0 125 0, 0.0 93,-0.1 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 164.1 85.9 61.8 38.8 2 5 A A - 0 0 43 91,-0.3 93,-2.5 43,-0.0 2,-0.3 -0.068 360.0-158.5 -67.7 167.6 86.9 59.5 35.9 3 6 A L E -a 95 0A 14 41,-0.4 43,-3.3 91,-0.2 44,-0.5 -0.994 11.6-177.5-146.5 140.7 85.9 55.9 35.6 4 7 A S E -a 96 0A 0 91,-2.2 93,-2.0 -2,-0.3 2,-0.3 -0.937 17.4-138.4-131.5 163.3 87.2 52.8 33.8 5 8 A A E -ab 97 48A 0 42,-2.4 44,-2.9 -2,-0.3 2,-0.4 -0.884 4.6-155.6-119.0 148.7 85.8 49.3 33.6 6 9 A V E -ab 98 49A 0 91,-2.5 93,-2.8 -2,-0.3 2,-0.5 -0.999 14.4-164.4-117.5 129.7 87.4 45.8 33.7 7 10 A I E -ab 99 50A 0 42,-2.9 44,-2.6 -2,-0.4 2,-0.6 -0.965 12.6-142.6-118.5 121.7 85.4 43.1 32.1 8 11 A L E +ab 100 51A 23 91,-2.2 93,-2.7 -2,-0.5 94,-0.3 -0.726 39.2 147.2 -85.1 120.4 86.2 39.4 32.7 9 12 A A + 0 0 2 42,-2.3 44,-0.4 -2,-0.6 14,-0.3 0.122 32.0 104.6-142.9 20.8 85.7 37.4 29.5 10 13 A A + 0 0 7 42,-0.3 44,-1.5 43,-0.1 42,-0.1 0.521 45.8 125.2 -91.4 -7.0 88.2 34.6 29.5 11 14 A G - 0 0 22 1,-0.1 11,-1.1 42,-0.1 12,-0.4 -0.213 52.7-148.7 -63.2 141.0 86.0 31.6 30.3 12 15 A K - 0 0 125 9,-0.2 -1,-0.1 10,-0.1 10,-0.1 0.862 24.9-145.0 -68.6 -40.1 85.8 28.5 28.1 13 16 A G > - 0 0 14 8,-0.2 3,-1.6 2,-0.1 5,-0.4 0.975 23.0-179.0 67.0 58.7 82.2 27.9 29.0 14 17 A T G > S+ 0 0 87 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.839 74.3 59.5 -57.5 -38.8 82.5 24.1 28.9 15 18 A R G 3 S+ 0 0 166 209,-0.3 211,-0.5 1,-0.3 -1,-0.3 0.438 91.5 68.8 -79.9 -1.2 78.8 23.4 29.7 16 19 A M G < S- 0 0 3 -3,-1.6 -1,-0.3 209,-0.2 -2,-0.2 0.613 94.0-145.9 -76.5 -20.6 77.7 25.4 26.6 17 20 A Y < + 0 0 172 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.1 0.942 51.3 134.7 48.3 58.2 79.2 22.4 24.6 18 21 A S S S- 0 0 42 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.1 -0.898 71.0-133.6-135.7 154.2 80.3 24.9 21.9 19 22 A D S S+ 0 0 165 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.548 90.8 85.3 -81.2 -10.7 83.2 25.9 19.7 20 23 A L S S- 0 0 54 -7,-0.1 -2,-0.2 -4,-0.1 2,-0.1 -0.633 90.4-108.7 -84.3 147.7 82.5 29.5 20.7 21 24 A P >> - 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.464 39.8-100.8 -69.3 155.5 83.9 30.9 23.9 22 25 A K G >4 S+ 0 0 25 -11,-1.1 3,-1.0 1,-0.3 10,-0.2 0.810 115.4 48.7 -47.1 -48.5 81.4 31.5 26.7 23 26 A V G 34 S+ 0 0 3 -12,-0.4 10,-2.1 -14,-0.3 11,-0.3 0.501 96.6 69.4 -84.0 -3.9 80.8 35.3 26.4 24 27 A L G <4 S+ 0 0 5 -3,-1.7 -1,-0.2 7,-0.2 -2,-0.2 0.637 71.9 107.8 -86.9 -14.5 80.2 35.3 22.6 25 28 A H S << S- 0 0 6 -3,-1.0 7,-2.5 -4,-0.5 2,-0.2 -0.368 73.6-116.8 -58.4 142.5 76.9 33.5 22.9 26 29 A T E -I 31 0B 71 5,-0.3 2,-0.4 6,-0.1 207,-0.1 -0.529 26.8-167.7 -99.4 152.1 74.1 36.0 22.2 27 30 A I E > S-I 30 0B 0 3,-2.5 3,-1.8 -2,-0.2 203,-0.1 -0.993 91.1 -7.4-124.3 127.6 71.2 37.6 24.1 28 31 A A T 3 S- 0 0 7 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.875 133.1 -55.8 50.4 41.5 68.8 39.5 21.8 29 32 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 249,-0.1 231,-0.1 0.421 120.0 101.3 78.7 2.1 71.2 38.9 18.9 30 33 A K E < S-I 27 0B 67 -3,-1.8 -3,-2.5 231,-0.0 -1,-0.2 -0.958 80.9-102.9-124.3 132.2 74.2 40.5 20.6 31 34 A P E >> -I 26 0B 26 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.193 31.3-120.1 -51.5 142.6 77.1 38.7 22.3 32 35 A M H 3> S+ 0 0 0 -7,-2.5 4,-1.5 1,-0.2 3,-0.4 0.910 114.7 53.5 -50.5 -45.6 76.8 38.7 26.1 33 36 A V H 3> S+ 0 0 0 -10,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.835 103.0 57.9 -63.2 -32.0 80.1 40.5 26.4 34 37 A K H <> S+ 0 0 48 -3,-0.7 4,-2.5 -11,-0.3 -1,-0.2 0.870 101.1 55.2 -66.1 -39.2 78.9 43.3 24.0 35 38 A H H X S+ 0 0 13 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.2 0.947 111.6 45.4 -53.6 -48.0 75.9 44.1 26.3 36 39 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.888 111.6 50.5 -67.9 -41.9 78.5 44.6 29.1 37 40 A I H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 111.5 49.9 -57.9 -43.0 80.9 46.7 27.0 38 41 A D H X S+ 0 0 39 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 111.0 48.4 -66.3 -41.8 77.9 48.9 25.9 39 42 A T H X S+ 0 0 13 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.921 110.7 50.8 -63.7 -44.5 76.8 49.4 29.5 40 43 A A H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.5 0.909 110.9 51.0 -57.9 -40.7 80.3 50.3 30.5 41 44 A H H ><5S+ 0 0 121 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.935 110.3 45.6 -65.2 -47.7 80.4 52.8 27.6 42 45 A Q H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.674 103.4 66.1 -73.6 -14.1 77.1 54.6 28.5 43 46 A L H 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.683 123.8-103.4 -73.9 -20.8 78.3 54.6 32.2 44 47 A G T <<5 + 0 0 53 -3,-1.4 -41,-0.4 -4,-0.5 -3,-0.2 0.603 55.8 175.1 105.5 20.5 81.0 57.0 31.1 45 48 A S < - 0 0 13 -5,-1.9 -41,-0.2 1,-0.2 -1,-0.2 -0.376 21.0-164.2 -64.7 125.5 84.0 54.6 31.1 46 49 A E S S+ 0 0 118 -43,-3.3 2,-0.3 1,-0.2 -42,-0.2 0.881 79.5 17.8 -73.6 -43.8 87.2 56.2 29.7 47 50 A N - 0 0 62 -44,-0.5 -42,-2.4 -7,-0.1 2,-0.4 -0.955 63.8-158.7-126.0 150.3 88.9 52.8 29.3 48 51 A I E -b 5 0A 9 -2,-0.3 21,-2.9 -44,-0.2 2,-0.7 -0.937 10.3-158.0-128.3 108.2 87.4 49.3 29.1 49 52 A H E -bc 6 69A 3 -44,-2.9 -42,-2.9 -2,-0.4 2,-0.8 -0.779 7.7-159.1 -89.6 113.1 89.9 46.5 29.9 50 53 A L E -bc 7 70A 0 19,-2.7 21,-2.4 -2,-0.7 2,-0.7 -0.838 2.1-155.9-100.0 108.1 88.7 43.3 28.4 51 54 A I E +bc 8 71A 0 -44,-2.6 -42,-2.3 -2,-0.8 2,-0.3 -0.747 28.2 164.4 -84.2 115.7 90.3 40.2 30.0 52 55 A Y E + c 0 72A 22 19,-2.0 21,-2.5 -2,-0.7 -42,-0.3 -0.844 18.4 140.6-133.3 167.2 90.2 37.4 27.5 53 56 A G > + 0 0 19 1,-0.5 3,-1.0 -44,-0.4 -42,-0.1 -0.048 53.0 67.1-163.8 -88.0 91.8 34.0 27.0 54 57 A H T 3 S+ 0 0 82 -44,-1.5 -1,-0.5 1,-0.3 5,-0.1 -0.273 113.5 12.8 -60.4 139.3 89.9 31.0 25.6 55 58 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.2 3,-0.1 3,-0.3 0.852 81.2 164.1 59.4 37.7 88.7 31.3 22.0 56 59 A G H <> + 0 0 15 -3,-1.0 4,-2.1 1,-0.2 5,-0.2 0.865 67.9 51.7 -54.0 -45.9 91.0 34.3 21.6 57 60 A D H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 111.8 47.7 -61.8 -39.7 91.0 34.3 17.8 58 61 A L H > S+ 0 0 60 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.881 108.7 54.0 -68.8 -39.0 87.1 34.3 17.8 59 62 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.925 109.9 48.9 -58.5 -43.8 86.9 37.1 20.4 60 63 A R H < S+ 0 0 123 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.847 114.9 42.6 -67.0 -37.8 89.1 39.2 18.2 61 64 A T H >< S+ 0 0 97 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.916 117.5 44.8 -77.1 -42.6 87.2 38.6 15.0 62 65 A H H 3< S+ 0 0 99 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.734 126.3 31.4 -73.4 -24.4 83.7 39.0 16.5 63 66 A L T >< S+ 0 0 3 -4,-1.7 3,-1.8 -5,-0.3 -1,-0.2 -0.029 77.1 130.4-123.2 29.1 84.6 42.1 18.6 64 67 A A T < S+ 0 0 74 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.820 75.2 46.9 -55.8 -35.2 87.2 43.6 16.2 65 68 A N T 3 S+ 0 0 149 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.391 82.7 118.3 -92.4 3.5 85.5 47.1 16.3 66 69 A E < - 0 0 38 -3,-1.8 2,-1.7 1,-0.1 -3,-0.1 -0.526 67.7-128.6 -74.6 134.2 85.0 47.3 20.1 67 70 A Q + 0 0 169 -2,-0.2 2,-0.3 2,-0.0 -19,-0.1 -0.629 64.6 123.8 -81.6 80.2 86.9 50.2 21.8 68 71 A V - 0 0 22 -2,-1.7 2,-0.7 -21,-0.1 -19,-0.2 -0.938 67.2-112.2-138.6 157.1 88.5 48.1 24.5 69 72 A N E -c 49 0A 56 -21,-2.9 -19,-2.7 -2,-0.3 2,-0.9 -0.862 35.3-135.3 -90.7 116.2 92.0 47.3 25.8 70 73 A W E -c 50 0A 51 -2,-0.7 2,-0.8 -21,-0.2 -19,-0.2 -0.660 24.9-178.4 -79.6 105.0 92.8 43.7 24.9 71 74 A V E -c 51 0A 14 -21,-2.4 -19,-2.0 -2,-0.9 2,-0.8 -0.845 10.4-160.5-108.1 97.4 94.4 42.0 27.9 72 75 A L E -c 52 0A 88 -2,-0.8 2,-0.4 -21,-0.2 -19,-0.2 -0.676 3.1-157.8 -82.5 108.0 95.2 38.4 27.0 73 76 A Q - 0 0 14 -21,-2.5 3,-0.1 -2,-0.8 9,-0.1 -0.771 4.7-163.8 -87.2 131.7 95.6 36.3 30.2 74 77 A T S S+ 0 0 123 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.635 71.7 31.6 -93.7 -19.1 97.7 33.1 29.5 75 78 A E S S- 0 0 110 3,-0.1 2,-1.0 7,-0.0 -1,-0.2 -0.999 73.2-129.2-141.9 143.0 96.8 31.2 32.6 76 79 A Q + 0 0 108 -2,-0.3 3,-0.1 1,-0.1 -23,-0.0 -0.772 43.5 148.5 -92.5 98.7 93.6 31.0 34.8 77 80 A L - 0 0 60 -2,-1.0 116,-2.4 1,-0.5 4,-0.2 0.024 67.6 -69.2-117.7 23.9 94.7 31.5 38.4 78 81 A G > - 0 0 9 114,-0.2 4,-1.8 1,-0.1 -1,-0.5 -0.222 54.1 -74.6 107.7 165.5 91.6 33.2 39.7 79 82 A T H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 115,-0.2 0.778 124.4 55.1 -72.1 -31.1 89.7 36.5 39.2 80 83 A A H > S+ 0 0 2 113,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 110.1 47.4 -67.3 -42.1 92.1 38.6 41.3 81 84 A H H > S+ 0 0 32 112,-0.8 4,-0.9 -4,-0.2 -2,-0.2 0.878 112.5 51.6 -61.3 -38.1 95.0 37.5 39.1 82 85 A A H >X S+ 0 0 2 -4,-1.8 3,-0.9 111,-0.3 4,-0.5 0.953 111.1 44.6 -64.3 -51.1 92.9 38.3 36.1 83 86 A V H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 4,-0.9 0.848 106.3 62.7 -64.4 -33.0 92.0 41.8 37.2 84 87 A Q H 3< S+ 0 0 73 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.761 90.5 66.9 -64.9 -27.0 95.7 42.4 38.1 85 88 A Q H << S+ 0 0 65 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.803 108.3 39.2 -60.0 -31.3 96.7 41.8 34.5 86 89 A A H X< S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.5 4,-0.3 0.621 92.8 92.2 -90.1 -18.6 94.8 45.1 33.7 87 90 A A G >< S+ 0 0 7 -4,-0.9 3,-1.7 1,-0.3 -2,-0.1 0.772 72.3 65.2 -53.6 -37.7 96.0 46.9 36.9 88 91 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 102.4 53.0 -57.3 -20.0 99.1 48.6 35.4 89 92 A F G < S+ 0 0 107 -3,-2.2 2,-0.2 2,-0.1 -2,-0.2 0.474 83.8 109.2 -94.4 -7.4 96.7 50.6 33.2 90 93 A F < - 0 0 5 -3,-1.7 2,-0.3 -4,-0.3 6,-0.1 -0.523 68.3-132.3 -69.5 132.4 94.5 51.9 36.1 91 94 A K > - 0 0 120 -2,-0.2 3,-1.3 4,-0.1 83,-0.5 -0.687 17.5-127.3 -79.4 141.1 94.9 55.6 36.8 92 95 A D T 3 S+ 0 0 90 -2,-0.3 83,-1.7 1,-0.3 84,-0.3 0.881 104.7 41.7 -58.4 -39.9 95.4 56.2 40.5 93 96 A N T 3 S+ 0 0 130 81,-0.2 -91,-0.3 80,-0.1 2,-0.3 0.036 96.3 90.8-105.9 26.4 92.6 58.7 40.8 94 97 A E S < S- 0 0 1 -3,-1.3 80,-2.1 -93,-0.1 -91,-0.2 -0.862 76.5-114.5-110.0 153.0 89.9 57.1 38.7 95 98 A N E -aD 3 173A 9 -93,-2.5 -91,-2.2 -2,-0.3 2,-0.4 -0.580 25.8-152.7 -76.2 149.0 87.2 54.7 39.8 96 99 A I E -aD 4 172A 0 76,-2.6 76,-1.7 -2,-0.2 2,-0.4 -0.998 5.4-163.5-125.8 125.2 87.4 51.1 38.5 97 100 A V E -aD 5 171A 0 -93,-2.0 -91,-2.5 -2,-0.4 2,-0.5 -0.912 10.3-147.1-106.4 135.2 84.2 49.0 38.2 98 101 A V E +aD 6 170A 0 72,-2.3 72,-0.7 -2,-0.4 2,-0.3 -0.923 24.4 172.2-106.6 126.0 84.6 45.2 37.7 99 102 A L E -a 7 0A 0 -93,-2.8 -91,-2.2 -2,-0.5 2,-0.5 -0.800 27.1-122.1-131.1 167.2 82.0 43.5 35.6 100 103 A Y E > -a 8 0A 37 3,-0.3 3,-1.8 -2,-0.3 -91,-0.1 -0.957 4.1-148.6-123.7 125.2 81.5 40.0 34.1 101 104 A G T 3 S+ 0 0 0 -93,-2.7 -65,-0.2 -2,-0.5 -66,-0.1 0.569 100.6 55.4 -66.6 -13.7 81.1 39.2 30.4 102 105 A D T 3 S+ 0 0 37 -94,-0.3 121,-2.0 1,-0.2 -1,-0.3 0.252 97.8 65.1-101.3 9.7 78.8 36.2 31.3 103 106 A A X + 0 0 12 -3,-1.8 3,-0.8 119,-0.2 -3,-0.3 -0.712 63.6 163.9-126.9 77.9 76.4 38.4 33.3 104 107 A P T 3 + 0 0 2 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.578 55.8 70.9 -78.3 -14.2 75.0 40.6 30.5 105 108 A L T 3 + 0 0 11 116,-0.4 115,-0.1 113,-0.4 114,-0.1 0.430 60.8 127.0 -92.7 1.8 71.9 42.1 32.1 106 109 A I < - 0 0 8 -3,-0.8 2,-0.2 113,-0.2 -67,-0.1 -0.366 54.1-136.4 -56.0 131.9 73.6 44.4 34.6 107 110 A T > - 0 0 22 1,-0.1 4,-1.8 -2,-0.1 5,-0.1 -0.610 16.1-126.5-102.5 156.9 72.2 48.0 34.1 108 111 A K H > S+ 0 0 65 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.871 110.9 55.1 -57.8 -40.9 73.7 51.5 33.9 109 112 A E H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 107.8 46.6 -67.7 -43.6 71.3 52.6 36.6 110 113 A T H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 113.3 50.2 -62.5 -40.1 72.3 50.0 39.2 111 114 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.789 105.5 56.0 -73.1 -27.9 76.0 50.7 38.5 112 115 A E H X S+ 0 0 93 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.869 108.7 47.8 -69.3 -38.1 75.5 54.5 38.9 113 116 A K H X S+ 0 0 117 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.832 110.9 52.4 -67.7 -35.0 74.1 53.8 42.4 114 117 A L H X S+ 0 0 0 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.935 112.2 43.7 -66.0 -47.2 77.1 51.5 43.1 115 118 A I H >< S+ 0 0 37 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.882 110.8 55.0 -66.3 -41.1 79.6 54.1 42.1 116 119 A E H 3< S+ 0 0 202 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.817 106.5 51.9 -62.9 -33.2 77.8 56.9 44.0 117 120 A A H 3< S+ 0 0 41 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.619 80.1 116.1 -80.3 -13.9 77.9 54.9 47.3 118 121 A K << - 0 0 15 -3,-0.9 6,-0.1 -4,-0.6 2,-0.1 -0.410 60.4-141.9 -63.5 117.5 81.7 54.2 47.1 119 122 A P > - 0 0 23 0, 0.0 3,-1.9 0, 0.0 91,-0.1 -0.461 36.0 -86.2 -75.1 152.2 83.4 55.9 50.1 120 123 A E T 3 S+ 0 0 127 1,-0.3 88,-0.3 -2,-0.1 3,-0.1 -0.325 114.1 7.8 -66.7 142.4 86.8 57.5 49.3 121 124 A N T 3 S+ 0 0 101 1,-0.2 -1,-0.3 86,-0.1 2,-0.1 0.521 121.8 90.9 60.5 11.9 89.7 55.0 49.6 122 125 A G S < S- 0 0 0 -3,-1.9 51,-0.5 85,-0.1 2,-0.4 -0.337 74.4-103.7-118.6-165.3 87.0 52.3 50.1 123 126 A I E -e 209 0A 0 85,-2.0 87,-2.2 49,-0.1 2,-0.5 -0.964 9.6-150.8-127.0 142.4 84.9 49.8 48.1 124 127 A A E -eF 210 171A 0 47,-2.2 47,-2.1 -2,-0.4 2,-0.5 -0.983 21.5-161.2-107.6 123.5 81.3 49.6 47.0 125 128 A L E -eF 211 170A 0 85,-2.5 87,-2.2 -2,-0.5 2,-0.5 -0.923 12.6-137.0-109.4 123.7 80.1 46.0 46.7 126 129 A L E +e 212 0A 0 43,-2.7 41,-1.5 -2,-0.5 43,-0.4 -0.692 32.7 176.4 -77.0 124.6 77.0 45.1 44.7 127 130 A T E -eF 213 166A 0 85,-2.4 87,-2.7 -2,-0.5 2,-0.3 -0.747 13.9-158.1-122.0 170.9 75.0 42.5 46.6 128 131 A V E - 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0 0 41 -7,-2.2 2,-0.3 -2,-0.6 -1,-0.1 0.613 63.2 -0.1-101.2 -18.9 83.2 43.5 57.4 148 151 A A E -G 140 0A 34 -8,-1.0 -8,-2.2 2,-0.0 2,-0.5 -0.991 46.8-139.8-162.7 159.8 83.3 40.0 55.7 149 152 A I E -G 139 0A 24 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.953 30.1-162.5-120.4 105.1 82.0 37.7 53.1 150 153 A V E -G 138 0A 25 -12,-1.8 -12,-2.7 -2,-0.5 5,-0.1 -0.820 12.4-135.8 -95.3 120.3 81.6 34.3 54.7 151 154 A E >> - 0 0 70 -2,-0.6 4,-1.5 -14,-0.3 3,-0.8 -0.215 28.5 -98.2 -72.4 163.2 81.4 31.4 52.3 152 155 A Q G >4 S+ 0 0 70 1,-0.2 3,-0.5 -17,-0.2 -16,-0.1 0.890 120.4 50.1 -43.9 -54.2 78.8 28.6 52.7 153 156 A K G 34 S+ 0 0 139 1,-0.2 -1,-0.2 -18,-0.1 -3,-0.0 0.771 113.3 44.0 -64.5 -31.0 81.2 26.1 54.4 154 157 A D G <4 S+ 0 0 115 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.686 88.7 106.2 -87.1 -21.5 82.5 28.6 57.0 155 158 A A << - 0 0 16 -4,-1.5 2,-0.1 -3,-0.5 -4,-0.0 -0.271 61.7-137.0 -66.9 144.3 79.2 30.1 58.1 156 159 A N > - 0 0 81 1,-0.0 4,-1.2 0, 0.0 -1,-0.1 -0.209 40.3 -81.9 -83.7-176.1 77.6 29.2 61.4 157 160 A A H > S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.912 128.1 43.3 -57.0 -50.0 73.9 28.5 61.9 158 161 A E H >4 S+ 0 0 149 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.811 109.6 57.2 -69.2 -31.2 72.7 32.2 62.1 159 162 A Q H >4 S+ 0 0 35 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.749 96.7 63.3 -73.6 -25.3 74.9 33.3 59.2 160 163 A L H 3< S+ 0 0 56 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.750 94.4 61.9 -69.7 -25.0 73.3 30.8 56.8 161 164 A N T << S+ 0 0 119 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.2 0.566 77.7 108.6 -76.9 -11.0 69.9 32.6 57.3 162 165 A I < - 0 0 47 -3,-0.9 -22,-0.0 -4,-0.2 -3,-0.0 -0.555 51.5-168.7 -66.4 127.5 71.4 35.7 55.8 163 166 A K + 0 0 113 -2,-0.3 -33,-1.8 -31,-0.1 2,-0.2 0.666 55.8 100.5 -92.6 -22.3 69.8 36.2 52.3 164 167 A E E - F 0 129A 15 -35,-0.2 -25,-1.7 -25,-0.2 2,-0.3 -0.489 55.8-177.0 -71.6 136.5 72.2 38.9 51.2 165 168 A V E -HF 138 128A 3 -37,-1.9 -37,-1.5 -27,-0.2 2,-0.3 -0.884 29.3 -98.0-140.8 155.8 74.9 37.5 48.9 166 169 A N E - F 0 127A 26 -29,-1.7 -39,-0.2 -2,-0.3 -29,-0.2 -0.618 23.9-176.4 -78.9 132.5 78.1 38.6 47.0 167 170 A T E - 0 0 26 -41,-1.5 -1,-0.1 -2,-0.3 -40,-0.1 0.500 40.2-124.0-100.0 -12.0 77.7 39.3 43.2 168 171 A G E S+ 0 0 12 -42,-0.3 2,-0.4 1,-0.3 -41,-0.1 0.227 72.5 124.6 86.0 -13.9 81.4 39.9 42.6 169 172 A V E + 0 0 8 -43,-0.4 -43,-2.7 -72,-0.1 2,-0.3 -0.685 35.0 156.5 -85.5 127.5 80.7 43.3 41.1 170 173 A M E -DF 98 125A 1 -72,-0.7 -72,-2.3 -2,-0.4 2,-0.4 -0.985 32.1-147.7-152.8 158.1 82.6 46.1 42.9 171 174 A V E +DF 97 124A 0 -47,-2.1 -47,-2.2 -2,-0.3 2,-0.3 -0.997 28.0 145.4-132.4 127.0 84.0 49.6 42.5 172 175 A S E -D 96 0A 0 -76,-1.7 -76,-2.6 -2,-0.4 -49,-0.1 -0.945 49.9 -85.0-147.1 170.2 87.2 51.1 44.1 173 176 A D E > -D 95 0A 9 -51,-0.5 4,-2.0 -2,-0.3 -78,-0.2 -0.366 40.6-111.9 -76.1 160.0 89.8 53.6 43.0 174 177 A G H > S+ 0 0 0 -80,-2.1 4,-2.3 -83,-0.5 -82,-0.2 0.858 113.8 51.9 -63.1 -41.8 92.8 52.6 40.9 175 178 A A H > S+ 0 0 37 -83,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.913 109.8 50.8 -62.0 -41.4 95.5 53.0 43.6 176 179 A S H > S+ 0 0 4 -84,-0.3 4,-2.7 1,-0.2 5,-0.3 0.913 109.5 50.6 -63.6 -43.7 93.5 50.9 46.0 177 180 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.926 110.3 48.9 -58.4 -47.3 93.1 48.1 43.4 178 181 A K H X S+ 0 0 69 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.905 115.0 46.3 -60.7 -41.5 96.9 48.1 42.7 179 182 A K H < S+ 0 0 89 -4,-2.2 4,-0.4 -5,-0.2 3,-0.2 0.964 118.5 37.6 -62.6 -57.7 97.7 47.9 46.4 180 183 A W H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 4,-0.3 0.831 109.4 59.7 -73.4 -36.5 95.2 45.2 47.5 181 184 A L H >< S+ 0 0 5 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.878 101.8 56.7 -57.6 -37.9 95.5 43.0 44.4 182 185 A A T 3< S+ 0 0 72 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.692 106.7 51.1 -65.9 -20.0 99.2 42.6 45.2 183 186 A R T < S+ 0 0 106 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.363 80.9 114.1 -99.5 1.5 98.2 41.3 48.7 184 187 A V < - 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