==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-SEP-04 1XFF . COMPND 2 MOLECULE: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.N.ISUPOV,A.TEPLYAKOV . 479 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 31.1 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 19.0 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+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 0 0 0 2 1 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 6 8 1 3 4 0 2 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 0 0 0 0 0 4 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 C 0 0 27 0, 0.0 2,-0.4 0, 0.0 72,-0.2 0.000 360.0 360.0 360.0 -53.3 9.9 30.3 21.9 2 2 A G E -A 72 0A 0 70,-1.9 70,-2.2 95,-0.1 2,-0.4 -0.975 360.0-173.0-116.5 137.9 9.2 31.5 18.4 3 3 A I E +A 71 0A 0 -2,-0.4 188,-2.1 68,-0.2 189,-0.4 -0.985 7.5 171.7-125.9 136.9 6.7 34.3 17.6 4 4 A V E +AB 70 190A 1 66,-2.0 66,-2.5 -2,-0.4 2,-0.3 -0.993 5.8 171.9-137.6 141.7 5.5 35.4 14.2 5 5 A G E -AB 69 189A 0 184,-2.9 184,-2.3 -2,-0.3 2,-0.3 -0.974 6.6-173.2-145.0 162.0 2.7 37.9 13.5 6 6 A A E -AB 68 188A 0 62,-2.5 62,-2.3 -2,-0.3 2,-0.4 -0.996 14.9-166.7-154.4 148.8 1.4 39.7 10.5 7 7 A I E +AB 67 187A 1 180,-2.7 180,-2.2 -2,-0.3 2,-0.3 -0.945 38.6 135.5-141.4 112.8 -1.2 42.3 9.6 8 8 A A - 0 0 7 58,-3.0 178,-0.2 -2,-0.4 4,-0.1 -0.865 64.1-113.4-146.1 174.2 -1.9 42.4 5.9 9 9 A Q S S+ 0 0 77 -2,-0.3 -1,-0.1 176,-0.2 29,-0.1 0.855 99.2 65.8 -84.8 -38.5 -4.6 42.7 3.4 10 10 A R S S- 0 0 8 1,-0.1 -2,-0.2 56,-0.1 2,-0.1 -0.317 106.6 -80.8 -78.5 164.3 -4.0 39.1 2.1 11 11 A D - 0 0 45 1,-0.1 55,-0.2 55,-0.0 4,-0.2 -0.432 41.3-166.1 -63.9 139.2 -4.6 36.0 4.2 12 12 A V > + 0 0 0 53,-2.1 4,-2.8 1,-0.1 3,-0.3 0.476 59.7 97.7-108.8 -5.1 -1.6 35.5 6.5 13 13 A A H > S+ 0 0 10 52,-0.4 4,-2.6 50,-0.4 5,-0.2 0.910 87.4 48.1 -54.3 -44.2 -2.0 31.9 7.7 14 14 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.878 111.8 49.2 -64.6 -38.7 0.5 30.6 5.2 15 15 A I H > S+ 0 0 10 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.890 111.9 49.7 -67.7 -39.8 3.1 33.2 6.0 16 16 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.931 110.6 48.9 -63.2 -43.7 2.7 32.5 9.7 17 17 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.897 111.4 49.5 -65.0 -39.2 3.1 28.8 9.2 18 18 A E H X S+ 0 0 51 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.911 108.9 53.5 -66.5 -35.9 6.2 29.3 7.1 19 19 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.923 108.2 49.8 -62.5 -44.4 7.6 31.6 9.7 20 20 A L H >X S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.8 0.926 106.2 55.5 -61.8 -39.9 7.1 28.9 12.3 21 21 A R H >< S+ 0 0 85 -4,-2.2 3,-0.9 1,-0.3 4,-0.3 0.886 106.2 52.7 -57.2 -38.9 8.8 26.4 10.1 22 22 A R H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.626 109.8 49.1 -71.0 -16.0 11.8 28.7 10.0 23 23 A L H X< S+ 0 0 0 -3,-1.5 3,-1.6 -4,-0.7 4,-0.3 0.421 81.9 93.8-100.7 -6.0 11.8 28.9 13.8 24 24 A E G X< + 0 0 64 -3,-0.9 3,-2.5 -4,-0.8 -1,-0.1 0.835 69.0 74.2 -61.0 -30.3 11.6 25.1 14.5 25 25 A Y G 3 S+ 0 0 143 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.741 86.9 64.0 -58.0 -22.3 15.4 24.8 14.8 26 26 A R G < S- 0 0 107 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.701 112.7-117.0 -73.9 -15.6 15.2 26.5 18.2 27 27 A G < + 0 0 25 -3,-2.5 2,-0.3 -4,-0.3 -1,-0.1 0.063 41.4 175.4 90.4 152.8 13.2 23.5 19.5 28 28 A Y - 0 0 35 1,-0.1 46,-0.3 -27,-0.1 3,-0.1 -0.939 32.3-142.9 179.8 162.1 9.6 23.4 20.9 29 29 A D S S+ 0 0 32 44,-2.7 20,-1.9 -2,-0.3 2,-0.3 0.541 82.7 8.4-115.9 -15.5 6.9 21.1 22.1 30 30 A S E -CD 48 73A 0 43,-0.9 43,-2.6 18,-0.3 2,-0.3 -0.956 58.5-163.6-159.5 169.3 3.8 22.7 20.7 31 31 A A E +CD 47 72A 1 16,-2.1 16,-2.9 -2,-0.3 2,-0.3 -0.985 9.5 170.5-158.2 160.7 2.6 25.4 18.3 32 32 A G E -CD 46 71A 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.3 -0.985 11.1-159.8-167.4 161.9 -0.5 27.4 17.5 33 33 A L E -CD 45 70A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.3 -0.973 2.9-160.4-147.0 162.6 -1.8 30.3 15.5 34 34 A A E -CD 44 69A 0 35,-2.3 35,-2.0 -2,-0.3 2,-0.3 -0.981 9.6-173.6-142.6 136.9 -4.9 32.6 15.5 35 35 A V E -CD 43 68A 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.4 -0.966 6.3-159.2-130.5 150.0 -6.1 34.7 12.6 36 36 A V E -CD 42 67A 0 31,-2.9 31,-1.4 -2,-0.3 30,-0.4 -0.986 11.2-141.1-130.7 134.3 -8.9 37.2 12.5 37 37 A D > - 0 0 33 4,-2.1 3,-2.1 -2,-0.4 28,-0.1 -0.278 38.7 -88.5 -87.8-179.5 -10.7 38.4 9.5 38 38 A A T 3 S+ 0 0 89 1,-0.3 129,-0.1 2,-0.1 -1,-0.1 0.753 126.6 53.9 -61.5 -24.5 -11.9 41.9 8.6 39 39 A E T 3 S- 0 0 140 2,-0.1 -1,-0.3 126,-0.1 3,-0.1 0.300 121.7-102.0 -93.0 7.1 -15.2 41.3 10.4 40 40 A G < + 0 0 21 -3,-2.1 2,-0.7 1,-0.3 -2,-0.1 0.606 69.7 149.8 85.7 8.9 -13.6 40.2 13.7 41 41 A H - 0 0 106 123,-0.1 -4,-2.1 2,-0.0 2,-0.4 -0.730 30.5-159.5 -79.1 115.8 -14.1 36.5 13.1 42 42 A M E -C 36 0A 59 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.762 11.8-169.8-100.1 133.0 -11.2 34.7 14.9 43 43 A T E -C 35 0A 57 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.4 -0.996 8.2-172.9-119.1 128.7 -10.0 31.2 14.1 44 44 A R E +C 34 0A 83 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.972 5.6 179.0-123.2 135.6 -7.5 29.6 16.6 45 45 A L E +C 33 0A 16 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.3 -0.997 4.9 173.3-136.5 130.3 -5.7 26.3 16.0 46 46 A R E -C 32 0A 32 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.982 6.9-169.9-136.8 150.9 -3.2 24.7 18.4 47 47 A R E -C 31 0A 65 -16,-2.9 -16,-2.1 -2,-0.3 2,-0.6 -0.995 26.1-133.0-142.5 137.3 -1.4 21.4 18.6 48 48 A L E S+C 30 0A 86 -2,-0.4 2,-0.4 -18,-0.2 -18,-0.3 -0.748 86.7 28.0 -74.4 123.6 0.7 19.5 20.9 49 49 A G S S- 0 0 10 -20,-1.9 2,-0.1 -2,-0.6 -2,-0.1 -0.930 102.3 -3.3 125.5-149.7 3.5 18.4 18.7 50 50 A K >> - 0 0 111 -2,-0.4 4,-1.6 1,-0.1 3,-0.8 -0.446 53.8-118.9 -92.8 156.5 5.2 19.6 15.5 51 51 A V H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.879 115.5 62.9 -55.2 -34.8 4.5 22.5 13.2 52 52 A Q H 3> S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.875 101.1 51.6 -61.8 -35.4 3.8 20.0 10.4 53 53 A M H <> S+ 0 0 77 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.903 111.4 46.8 -63.6 -40.3 0.9 18.7 12.5 54 54 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 110.9 51.8 -67.9 -39.5 -0.5 22.2 12.8 55 55 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.885 108.6 51.7 -66.8 -38.7 0.0 22.8 9.1 56 56 A Q H X S+ 0 0 105 -4,-2.2 4,-0.5 -5,-0.2 3,-0.4 0.935 110.6 47.0 -62.8 -44.1 -1.9 19.7 8.3 57 57 A A H >X S+ 0 0 4 -4,-2.1 4,-1.3 1,-0.2 3,-1.1 0.865 108.1 56.6 -63.9 -35.6 -4.8 20.7 10.5 58 58 A A H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.809 97.7 63.1 -65.9 -28.4 -4.8 24.1 8.9 59 59 A E H 3< S+ 0 0 134 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.702 108.1 41.6 -68.9 -18.7 -5.2 22.5 5.6 60 60 A E H << S+ 0 0 149 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.666 121.3 40.3 -98.6 -23.4 -8.6 21.1 6.7 61 61 A H S < S- 0 0 89 -4,-1.3 -1,-0.2 2,-0.0 -2,-0.1 -0.503 87.4-155.0-119.4 58.7 -9.7 24.3 8.5 62 62 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.104 14.2-139.7 -45.1 114.9 -8.4 26.9 5.9 63 63 A L - 0 0 9 -5,-0.2 2,-0.4 2,-0.0 -50,-0.4 -0.644 17.7-164.5 -87.0 118.6 -7.9 30.0 8.0 64 64 A H + 0 0 113 -2,-0.6 2,-0.2 -29,-0.1 -21,-0.1 -0.840 36.3 91.8-103.8 144.0 -9.0 33.2 6.4 65 65 A G - 0 0 5 -2,-0.4 -53,-2.1 -28,-0.1 -52,-0.4 -0.501 60.7-126.5 147.2 147.4 -8.0 36.6 7.7 66 66 A G S S+ 0 0 12 -30,-0.4 -58,-3.0 -55,-0.2 2,-0.4 0.411 90.9 63.9 -96.8 0.6 -5.3 39.3 7.2 67 67 A T E +AD 7 36A 8 -31,-1.4 -31,-2.9 -60,-0.2 2,-0.3 -0.988 64.8 137.8-127.5 128.7 -4.3 39.6 10.9 68 68 A G E -AD 6 35A 0 -62,-2.3 -62,-2.5 -2,-0.4 2,-0.3 -0.994 32.9-152.1-164.7 160.5 -2.7 36.8 12.9 69 69 A I E -AD 5 34A 0 -35,-2.0 -35,-2.3 -2,-0.3 2,-0.3 -0.956 15.0-173.2-137.6 154.7 -0.1 35.7 15.4 70 70 A A E -AD 4 33A 0 -66,-2.5 -66,-2.0 -2,-0.3 2,-0.3 -0.963 1.1-171.2-148.7 162.5 1.6 32.3 15.8 71 71 A H E -AD 3 32A 0 -39,-2.4 -39,-2.2 -2,-0.3 2,-0.4 -0.997 21.3-148.8-159.2 141.4 3.9 30.7 18.3 72 72 A T E -AD 2 31A 0 -70,-2.2 -70,-1.9 -2,-0.3 2,-0.4 -0.977 33.4-144.2-110.3 136.3 6.1 27.7 19.0 73 73 A R E - D 0 30A 0 -43,-2.6 -44,-2.7 -2,-0.4 -43,-0.9 -0.773 23.5-169.5-104.7 142.7 6.3 27.0 22.6 74 74 A W - 0 0 143 -2,-0.4 -46,-0.1 -46,-0.3 -2,-0.0 -0.916 41.8-124.6-121.9 101.2 9.1 25.7 24.8 75 75 A A + 0 0 23 -2,-0.5 3,-0.1 1,-0.2 4,-0.1 -0.144 50.9 149.1 -58.3 133.0 7.2 25.0 28.0 76 76 A T S S+ 0 0 69 1,-0.2 2,-0.5 23,-0.1 -1,-0.2 0.553 74.6 37.3-120.2 -33.9 8.3 26.6 31.3 77 77 A H S S+ 0 0 42 1,-0.1 -1,-0.2 7,-0.1 46,-0.2 -0.907 118.5 9.4-125.3 102.8 5.0 26.9 33.1 78 78 A G S S- 0 0 24 -2,-0.5 -1,-0.1 44,-0.1 3,-0.1 0.101 93.6 -80.8 103.4 137.2 2.4 24.1 32.6 79 79 A E - 0 0 124 1,-0.1 5,-0.2 -3,-0.1 2,-0.2 -0.282 58.6 -83.8 -69.0 158.3 3.1 20.8 30.9 80 80 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.444 75.7 131.5 -59.8 124.9 3.1 20.6 27.1 81 81 A S S > S- 0 0 22 -2,-0.2 4,-1.0 -3,-0.1 3,-0.2 -0.941 70.8-105.3-166.8 162.7 -0.6 20.1 26.1 82 82 A E T >4 S+ 0 0 91 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.884 119.4 58.9 -66.7 -35.8 -2.9 21.7 23.6 83 83 A V T 34 S+ 0 0 73 1,-0.2 -1,-0.2 -3,-0.1 36,-0.1 0.887 109.9 42.5 -59.0 -35.8 -4.6 23.6 26.5 84 84 A N T 34 S+ 0 0 1 -3,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.539 92.8 105.2 -89.9 -11.0 -1.3 25.3 27.5 85 85 A A S << S- 0 0 0 -4,-1.0 37,-0.1 -3,-0.6 -37,-0.1 -0.358 70.4 -84.7 -63.8 154.6 -0.2 26.0 23.9 86 86 A H S S+ 0 0 0 -54,-0.1 -15,-0.2 11,-0.1 10,-0.1 -0.582 92.9 73.4-101.3 153.9 -0.5 29.6 22.6 87 87 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.456 69.5-164.1 -86.4 149.6 -2.1 31.7 21.4 88 88 A H E -H 95 0B 2 7,-2.3 7,-2.7 -2,-0.1 2,-0.3 -0.774 5.6-152.0 -98.6 154.7 -4.0 32.2 24.7 89 89 A V E -H 94 0B 36 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.804 27.0-171.6-127.5 158.3 -7.2 34.1 24.8 90 90 A S E > S-H 93 0B 5 3,-2.4 3,-2.3 -2,-0.3 2,-0.5 -0.690 75.6 -68.4-144.1 89.6 -9.3 36.2 27.1 91 91 A E T 3 S- 0 0 128 1,-0.3 -1,-0.2 -2,-0.2 72,-0.1 -0.486 123.5 -4.8 61.0-108.9 -12.5 36.7 25.2 92 92 A H T 3 S+ 0 0 25 -2,-0.5 71,-2.7 -3,-0.1 2,-0.4 0.556 115.6 94.1 -91.7 -9.7 -11.4 38.9 22.3 93 93 A I E < -HI 90 162B 0 -3,-2.3 -3,-2.4 69,-0.2 2,-0.4 -0.718 54.8-173.5 -86.2 134.1 -7.8 39.4 23.5 94 94 A V E -HI 89 161B 0 67,-2.8 67,-2.6 -2,-0.4 2,-0.4 -0.998 5.1-175.5-133.4 131.7 -5.4 37.0 22.0 95 95 A V E -HI 88 160B 0 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.4 -0.962 20.1-169.3-134.3 142.8 -1.7 36.7 23.0 96 96 A V E - I 0 159B 0 63,-2.2 63,-1.9 -2,-0.4 2,-0.4 -0.966 21.9-171.4-120.9 153.3 1.5 34.9 22.2 97 97 A H E - I 0 158B 0 -2,-0.4 2,-0.4 61,-0.2 61,-0.2 -0.985 19.6-161.3-150.3 133.3 4.4 35.2 24.5 98 98 A N E + I 0 157B 7 59,-2.8 59,-2.0 -2,-0.4 2,-0.3 -0.935 65.7 12.2-108.7 138.9 8.1 34.3 24.7 99 99 A G E S- I 0 156B 16 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.673 92.2 -54.1 105.2-155.6 9.8 34.1 28.0 100 100 A I E - I 0 155B 62 55,-1.9 2,-0.9 -2,-0.3 55,-0.5 -0.975 21.5-145.4-136.7 138.1 8.6 34.2 31.6 101 101 A I E > - I 0 154B 0 -2,-0.4 3,-1.4 53,-0.2 53,-0.3 -0.901 21.2-166.1 -99.7 100.2 6.3 36.4 33.6 102 102 A E T 3 S+ 0 0 143 51,-1.9 3,-0.4 -2,-0.9 52,-0.2 0.796 82.5 49.3 -61.6 -31.9 8.1 36.0 37.0 103 103 A N T 3> S+ 0 0 29 50,-1.0 4,-1.8 1,-0.2 -1,-0.3 -0.051 71.1 123.9 -99.9 34.1 5.2 37.5 39.0 104 104 A H H <> + 0 0 23 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.837 66.2 60.5 -66.1 -30.6 2.5 35.3 37.4 105 105 A E H > S+ 0 0 125 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.985 106.4 42.5 -63.3 -58.0 1.3 34.0 40.8 106 106 A P H > S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.903 118.1 47.9 -53.6 -44.7 0.3 37.3 42.4 107 107 A L H X S+ 0 0 7 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.862 109.0 52.5 -65.7 -38.8 -1.3 38.4 39.1 108 108 A R H X S+ 0 0 30 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.949 112.3 45.1 -60.9 -47.4 -3.2 35.2 38.6 109 109 A E H X S+ 0 0 106 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.948 113.7 51.8 -62.3 -43.3 -4.6 35.4 42.2 110 110 A E H X S+ 0 0 68 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.916 114.4 41.1 -57.1 -46.9 -5.4 39.1 41.5 111 111 A L H <>S+ 0 0 1 -4,-3.0 5,-2.5 2,-0.2 4,-0.2 0.840 112.0 54.3 -76.3 -31.9 -7.2 38.4 38.3 112 112 A K H ><5S+ 0 0 101 -4,-3.2 3,-2.8 -5,-0.2 -2,-0.2 0.971 108.7 50.5 -56.9 -49.5 -8.9 35.3 39.7 113 113 A A H 3<5S+ 0 0 91 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.888 106.8 56.7 -56.0 -35.1 -10.2 37.6 42.5 114 114 A R T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.488 129.8 -94.3 -78.9 -3.7 -11.3 40.0 39.8 115 115 A G T < 5S+ 0 0 62 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.403 76.4 138.1 115.7 -0.9 -13.4 37.3 38.2 116 116 A Y < - 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