==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 06-MAR-12 4E1K . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR N.A.LARSEN,P.DOIG . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.6 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 . 52 11.6 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 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 15 5 2 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 1 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 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 0 158 0, 0.0 93,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.8 31.4 30.8 92.0 2 5 A A - 0 0 37 91,-0.3 93,-2.7 1,-0.0 2,-0.4 -0.048 360.0-153.4 -66.1 164.3 32.3 28.4 89.2 3 6 A L E +a 95 0A 16 41,-0.4 43,-3.6 91,-0.2 44,-0.4 -0.998 14.0 176.0-140.1 139.7 31.2 24.8 88.9 4 7 A S E -a 96 0A 0 91,-2.0 93,-2.1 -2,-0.4 2,-0.3 -0.940 18.0-138.9-135.1 164.2 32.6 21.7 87.2 5 8 A A E -ab 97 48A 0 42,-2.2 44,-3.1 -2,-0.3 2,-0.4 -0.868 6.3-155.6-122.7 150.9 31.3 18.1 87.2 6 9 A V E -ab 98 49A 0 91,-2.3 93,-2.9 -2,-0.3 2,-0.5 -1.000 15.1-166.1-120.1 127.3 32.9 14.6 87.4 7 10 A I E -ab 99 50A 0 42,-2.8 44,-2.8 -2,-0.4 2,-0.6 -0.967 13.0-143.5-115.6 122.1 30.8 11.8 85.8 8 11 A L E +ab 100 51A 25 91,-2.3 93,-3.4 -2,-0.5 94,-0.4 -0.772 40.1 145.5 -85.1 121.7 31.7 8.2 86.6 9 12 A A + 0 0 3 42,-2.4 44,-0.5 -2,-0.6 14,-0.3 0.049 30.7 106.2-147.7 27.3 31.2 6.1 83.5 10 13 A A + 0 0 8 42,-0.3 44,-1.9 43,-0.1 42,-0.1 0.603 46.7 121.4 -91.2 -14.1 33.8 3.4 83.4 11 14 A G - 0 0 39 42,-0.1 11,-1.1 1,-0.1 12,-0.4 -0.120 57.7-142.2 -59.1 146.6 31.7 0.3 84.3 12 15 A K - 0 0 126 9,-0.2 -1,-0.1 10,-0.1 4,-0.1 0.807 22.2-144.0 -74.2 -33.2 31.3 -2.7 82.1 13 16 A G > + 0 0 12 8,-0.1 3,-2.0 2,-0.1 5,-0.4 0.959 26.3 177.7 61.4 52.2 27.6 -3.3 82.8 14 17 A T G > S+ 0 0 78 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.829 72.7 59.9 -55.3 -37.4 28.1 -7.1 82.6 15 18 A R G 3 S+ 0 0 162 209,-0.3 211,-0.5 1,-0.3 -1,-0.3 0.432 90.5 69.5 -81.1 1.1 24.5 -7.8 83.5 16 19 A M G < S- 0 0 4 -3,-2.0 -1,-0.3 209,-0.2 -2,-0.2 0.654 93.8-147.2 -76.1 -22.1 23.4 -5.9 80.4 17 20 A Y < + 0 0 168 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.1 0.938 51.8 131.9 50.1 55.4 24.9 -8.8 78.4 18 21 A S S S- 0 0 41 -5,-0.4 -1,-0.2 2,-0.3 -2,-0.1 -0.892 72.3-131.3-135.1 155.6 25.8 -6.4 75.7 19 22 A D S S+ 0 0 162 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.614 90.0 87.8 -79.9 -14.2 28.8 -5.4 73.5 20 23 A L S S- 0 0 53 1,-0.1 -2,-0.3 -7,-0.1 2,-0.1 -0.521 88.9-109.5 -78.2 149.6 28.0 -1.8 74.6 21 24 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.465 40.0 -99.2 -71.6 160.5 29.5 -0.3 77.7 22 25 A K G > S+ 0 0 28 -11,-1.1 3,-0.9 1,-0.3 10,-0.2 0.820 116.2 47.8 -51.9 -46.1 27.0 0.3 80.5 23 26 A V G 3 S+ 0 0 3 -12,-0.4 10,-1.9 -14,-0.3 11,-0.3 0.498 96.3 70.7 -83.9 -4.3 26.4 4.1 80.1 24 27 A L G < S+ 0 0 5 -3,-1.6 -1,-0.2 7,-0.2 -2,-0.2 0.626 71.2 106.5 -87.6 -12.7 25.8 4.0 76.3 25 28 A H S < S- 0 0 6 -3,-0.9 7,-2.4 -4,-0.5 2,-0.2 -0.421 74.2-116.6 -63.5 142.8 22.4 2.2 76.7 26 29 A T E -I 31 0B 70 5,-0.3 2,-0.4 6,-0.1 207,-0.1 -0.512 26.9-167.8 -98.0 151.0 19.7 4.7 76.0 27 30 A I E > S-I 30 0B 0 3,-2.6 3,-2.0 -2,-0.2 203,-0.1 -0.993 91.2 -6.1-122.0 131.0 16.8 6.3 77.9 28 31 A A T 3 S- 0 0 6 -2,-0.4 -1,-0.1 1,-0.3 230,-0.0 0.867 133.1 -56.7 49.6 40.7 14.3 8.2 75.6 29 32 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 249,-0.1 231,-0.1 0.500 120.4 103.0 76.6 5.4 16.7 7.5 72.6 30 33 A K E < S-I 27 0B 67 -3,-2.0 -3,-2.6 231,-0.0 -1,-0.2 -0.974 80.4-104.3-126.8 129.6 19.7 9.2 74.4 31 34 A P E >> -I 26 0B 29 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.177 31.9-118.4 -51.9 143.1 22.6 7.4 76.0 32 35 A M H 3> S+ 0 0 0 -7,-2.4 4,-1.5 1,-0.3 3,-0.4 0.900 114.7 50.5 -49.4 -47.5 22.4 7.4 79.9 33 36 A V H 3> S+ 0 0 0 -10,-1.9 4,-3.0 1,-0.2 -1,-0.3 0.792 104.1 58.8 -64.7 -29.6 25.7 9.4 80.2 34 37 A K H <> S+ 0 0 47 -3,-0.8 4,-2.7 -11,-0.3 -1,-0.2 0.860 101.3 55.1 -69.0 -36.4 24.5 12.0 77.7 35 38 A H H X S+ 0 0 13 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.951 112.9 42.9 -53.6 -48.9 21.5 12.7 80.0 36 39 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.920 112.2 52.0 -69.4 -44.1 24.0 13.4 82.8 37 40 A I H X S+ 0 0 6 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.942 112.2 47.6 -53.8 -48.7 26.4 15.4 80.5 38 41 A D H X S+ 0 0 34 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.911 110.7 50.4 -61.4 -45.7 23.4 17.6 79.4 39 42 A T H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.940 109.6 51.3 -57.3 -47.0 22.2 18.1 83.0 40 43 A A H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.2 0.899 111.7 47.5 -56.6 -42.7 25.8 19.1 84.0 41 44 A H H ><5S+ 0 0 121 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.933 107.5 55.0 -65.3 -46.8 25.8 21.6 81.2 42 45 A Q H 3<5S+ 0 0 107 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.1 56.5 -52.7 -37.0 22.3 23.0 82.1 43 46 A L T 3<5S- 0 0 28 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.570 124.2-109.0 -69.4 -12.3 23.8 23.6 85.6 44 47 A G T < 5 - 0 0 52 -3,-2.3 -41,-0.4 -4,-0.2 -3,-0.2 0.766 49.5-177.9 87.1 29.3 26.5 25.7 83.9 45 48 A S < - 0 0 12 -5,-2.1 -41,-0.3 1,-0.1 -1,-0.2 -0.381 17.8-159.0 -60.7 134.4 29.4 23.3 84.5 46 49 A E S S+ 0 0 122 -43,-3.6 2,-0.3 1,-0.2 -42,-0.2 0.908 78.3 18.5 -82.0 -48.2 32.6 24.8 83.1 47 50 A N - 0 0 57 -44,-0.4 -42,-2.2 2,-0.0 2,-0.4 -0.894 64.7-157.5-118.3 154.2 34.4 21.5 82.8 48 51 A I E -b 5 0A 9 -2,-0.3 21,-3.2 -44,-0.2 2,-0.8 -0.935 9.5-159.0-132.1 106.3 33.0 18.0 82.7 49 52 A H E -bc 6 69A 3 -44,-3.1 -42,-2.8 -2,-0.4 2,-0.7 -0.807 8.3-160.6 -90.6 112.4 35.5 15.3 83.7 50 53 A L E -bc 7 70A 0 19,-2.5 21,-2.0 -2,-0.8 2,-0.7 -0.848 4.8-154.6 -99.8 110.4 34.3 12.0 82.3 51 54 A I E +bc 8 71A 0 -44,-2.8 -42,-2.4 -2,-0.7 2,-0.2 -0.761 29.9 165.6 -83.7 115.4 35.8 9.0 84.0 52 55 A Y E + c 0 72A 28 19,-2.1 21,-3.2 -2,-0.7 -42,-0.3 -0.778 17.7 138.2-130.7 169.4 35.7 6.2 81.4 53 56 A G > + 0 0 18 1,-0.6 3,-1.1 -44,-0.5 4,-0.1 -0.113 52.9 66.3-169.8 -87.3 37.3 2.8 80.9 54 57 A H T 3 S+ 0 0 103 -44,-1.9 -1,-0.6 1,-0.3 5,-0.1 -0.344 115.8 12.9 -61.6 140.7 35.3 -0.3 79.6 55 58 A G T 3> S+ 0 0 25 -3,-0.1 4,-2.3 -35,-0.1 -1,-0.3 0.845 82.6 159.2 58.3 36.0 34.2 0.1 76.0 56 59 A G H <> + 0 0 14 -3,-1.1 4,-2.3 1,-0.2 5,-0.1 0.873 67.2 52.9 -59.1 -41.3 36.5 3.1 75.8 57 60 A D H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 112.4 44.5 -60.1 -42.1 36.7 2.9 72.0 58 61 A L H > S+ 0 0 53 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.815 109.6 56.1 -74.1 -33.8 32.9 2.9 71.7 59 62 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.947 109.0 47.9 -59.5 -47.0 32.6 5.7 74.3 60 63 A R H < S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.906 115.2 43.9 -62.4 -43.7 34.9 7.9 72.1 61 64 A T H >< S+ 0 0 95 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.919 118.3 42.9 -69.0 -44.0 33.1 7.2 68.9 62 65 A H H 3< S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.761 126.2 32.2 -74.5 -27.6 29.5 7.6 70.4 63 66 A L T >< S+ 0 0 3 -4,-2.1 3,-2.4 -5,-0.2 -1,-0.2 0.092 78.2 127.9-116.5 22.1 30.4 10.7 72.4 64 67 A A T < S+ 0 0 68 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.764 74.9 47.3 -56.7 -31.6 33.0 12.3 70.1 65 68 A N T 3 S+ 0 0 153 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.359 85.0 115.9 -92.7 6.3 31.3 15.7 70.0 66 69 A E S < S- 0 0 39 -3,-2.4 2,-1.7 1,-0.1 -3,-0.1 -0.552 70.5-127.2 -78.4 139.3 30.8 16.0 73.8 67 70 A Q + 0 0 168 -2,-0.2 2,-0.3 2,-0.0 -19,-0.1 -0.606 64.7 128.6 -84.1 78.2 32.6 18.8 75.6 68 71 A V - 0 0 20 -2,-1.7 2,-0.6 -21,-0.1 -19,-0.2 -0.915 63.8-117.1-132.1 155.9 34.2 16.5 78.2 69 72 A N E -c 49 0A 56 -21,-3.2 -19,-2.5 -2,-0.3 2,-1.2 -0.873 32.5-134.0 -93.3 121.4 37.6 15.9 79.6 70 73 A W E +c 50 0A 50 -2,-0.6 2,-0.8 -21,-0.2 -19,-0.1 -0.626 28.7 177.4 -86.3 93.9 38.5 12.2 78.8 71 74 A V E -c 51 0A 12 -21,-2.0 -19,-2.1 -2,-1.2 2,-0.4 -0.847 18.1-148.5-100.5 106.6 40.0 10.7 82.0 72 75 A L E -c 52 0A 81 -2,-0.8 2,-0.5 -21,-0.2 -19,-0.2 -0.613 4.5-155.7 -81.9 129.2 40.8 7.0 81.5 73 76 A Q - 0 0 21 -21,-3.2 3,-0.1 -2,-0.4 9,-0.0 -0.901 11.7-178.1-100.8 126.5 40.5 4.6 84.4 74 77 A T + 0 0 116 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.574 68.4 24.6 -99.6 -12.5 42.6 1.5 84.2 75 78 A E S S- 0 0 104 7,-0.0 2,-0.8 0, 0.0 -1,-0.2 -0.992 74.4-117.3-155.2 144.3 41.5 -0.2 87.5 76 79 A Q + 0 0 104 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.740 45.5 147.6 -84.5 111.1 38.5 -0.2 89.8 77 80 A L - 0 0 42 -2,-0.8 116,-3.3 1,-0.5 4,-0.4 -0.041 65.0 -83.9-131.7 28.7 39.7 1.1 93.3 78 81 A G > - 0 0 1 114,-0.3 4,-1.9 1,-0.1 -1,-0.5 -0.118 51.9 -64.9 94.9 172.2 36.4 2.7 94.3 79 82 A T H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 115,-0.2 0.839 127.7 53.9 -67.8 -36.9 34.7 6.1 93.8 80 83 A A H > S+ 0 0 2 113,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.895 110.5 47.4 -65.5 -40.2 37.3 8.2 95.7 81 84 A H H > S+ 0 0 36 112,-0.8 4,-1.1 -4,-0.4 -2,-0.2 0.891 111.8 50.6 -66.6 -41.1 40.1 6.8 93.5 82 85 A A H >X S+ 0 0 1 -4,-1.9 3,-0.9 111,-0.3 4,-0.5 0.962 112.7 45.4 -59.0 -53.9 38.0 7.4 90.3 83 86 A V H >X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-1.1 0.819 105.3 62.6 -60.1 -33.7 37.3 11.0 91.2 84 87 A Q H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 92.3 64.4 -66.9 -26.4 41.0 11.5 92.2 85 88 A Q H << S+ 0 0 55 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.794 110.1 39.2 -62.8 -26.8 42.0 10.8 88.6 86 89 A A H X< S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.5 4,-0.3 0.676 94.5 88.4 -91.3 -21.9 40.1 14.0 87.7 87 90 A A G >< S+ 0 0 4 -4,-1.2 3,-1.5 1,-0.3 -2,-0.1 0.730 73.8 66.0 -58.1 -32.0 41.2 16.0 90.8 88 91 A P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.742 103.3 51.2 -59.6 -20.5 44.4 17.5 89.3 89 92 A F G < S+ 0 0 108 -3,-2.2 2,-0.2 2,-0.1 -2,-0.2 0.429 86.2 107.5 -96.2 -2.0 42.1 19.4 86.9 90 93 A F S < S- 0 0 4 -3,-1.5 2,-0.4 -4,-0.3 6,-0.1 -0.563 70.4-129.4 -72.7 138.4 39.9 20.8 89.6 91 94 A K > - 0 0 82 -2,-0.2 3,-1.7 4,-0.1 83,-0.7 -0.756 16.4-128.2 -83.3 136.0 40.3 24.5 90.3 92 95 A D T 3 S+ 0 0 83 -2,-0.4 83,-1.8 82,-0.3 84,-0.3 0.857 106.0 42.6 -53.5 -37.5 40.8 25.2 94.0 93 96 A N T 3 S+ 0 0 134 81,-0.2 -91,-0.3 80,-0.1 2,-0.3 0.146 96.6 89.1-103.9 18.3 38.0 27.8 94.0 94 97 A E S < S- 0 0 1 -3,-1.7 80,-2.3 -93,-0.1 -91,-0.2 -0.836 76.8-115.5-106.2 151.3 35.3 26.1 91.9 95 98 A N E -aD 3 173A 11 -93,-2.7 -91,-2.0 -2,-0.3 2,-0.4 -0.566 25.6-152.1 -73.5 149.2 32.6 23.8 93.2 96 99 A I E -aD 4 172A 0 76,-2.8 76,-1.7 -2,-0.2 2,-0.5 -0.999 4.7-161.5-125.4 124.9 32.7 20.1 92.0 97 100 A V E -aD 5 171A 0 -93,-2.1 -91,-2.3 -2,-0.4 2,-0.5 -0.923 11.7-144.7-104.8 131.0 29.6 18.0 91.7 98 101 A V E +aD 6 170A 0 72,-2.3 72,-0.5 -2,-0.5 2,-0.3 -0.842 26.6 170.2 -99.9 130.2 30.0 14.2 91.5 99 102 A L E -a 7 0A 1 -93,-2.9 -91,-2.3 -2,-0.5 2,-0.4 -0.865 28.6-123.3-138.0 166.5 27.6 12.3 89.3 100 103 A Y E > -a 8 0A 36 3,-0.3 3,-1.8 -2,-0.3 -91,-0.2 -0.961 6.5-147.4-124.6 127.7 27.1 8.8 87.9 101 104 A G T 3 S+ 0 0 0 -93,-3.4 -65,-0.2 -2,-0.4 -66,-0.2 0.650 101.6 52.1 -68.9 -18.2 26.8 8.0 84.1 102 105 A D T 3 S+ 0 0 32 -94,-0.4 121,-2.2 1,-0.2 -1,-0.3 0.164 96.3 70.9-102.2 13.3 24.4 5.0 84.9 103 106 A A X + 0 0 10 -3,-1.8 3,-0.8 119,-0.2 -3,-0.3 -0.717 63.0 164.8-123.7 76.7 22.1 7.2 87.0 104 107 A P T 3 + 0 0 3 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 0.594 54.9 68.7 -79.4 -15.0 20.6 9.3 84.2 105 108 A L T 3 + 0 0 12 113,-0.4 115,-0.1 116,-0.4 2,-0.1 0.358 60.2 130.0 -94.1 6.4 17.5 10.9 85.8 106 109 A I < - 0 0 6 -3,-0.8 2,-0.2 113,-0.2 -67,-0.1 -0.413 53.0-136.3 -58.7 128.5 19.2 13.3 88.2 107 110 A T > - 0 0 24 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.610 15.0-129.9 -97.9 150.8 17.7 16.7 87.6 108 111 A K H > S+ 0 0 57 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 110.0 56.2 -53.6 -46.8 19.2 20.2 87.3 109 112 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 106.9 46.3 -58.0 -51.7 16.6 21.4 89.9 110 113 A T H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 114.2 50.3 -55.5 -40.6 17.7 18.9 92.6 111 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.815 105.5 55.1 -72.6 -31.8 21.3 19.7 91.9 112 115 A E H X S+ 0 0 82 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.932 109.6 47.9 -61.5 -47.2 20.7 23.5 92.2 113 116 A K H X S+ 0 0 109 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.912 112.4 49.5 -57.2 -47.4 19.3 22.9 95.7 114 117 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.933 111.7 47.5 -57.0 -51.0 22.3 20.7 96.6 115 118 A I H >< S+ 0 0 39 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.879 110.9 51.5 -61.7 -40.2 24.8 23.3 95.4 116 119 A E H 3< S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 106.8 54.8 -64.9 -34.4 23.0 26.1 97.3 117 120 A A H 3< S+ 0 0 31 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.611 79.6 112.1 -75.4 -13.6 23.1 24.1 100.5 118 121 A K << - 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