==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-10 2X62 . COMPND 2 MOLECULE: ALPHA-2,3-/2,8-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR H.J.LEE,L.L.LAIRSON,J.R.RICH,W.W.WAKARCHUK,S.G.WITHERS, . 507 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 2 2 0 0 2 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 6 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A K 0 0 128 0, 0.0 144,-0.5 0, 0.0 145,-0.4 0.000 360.0 360.0 360.0 159.6 31.7 44.4 13.5 2 3 A K E -a 24 0A 52 21,-2.4 23,-2.2 142,-0.1 2,-0.4 -0.513 360.0-135.9 -94.0 169.6 30.7 41.6 11.2 3 4 A V E -ab 25 147A 0 143,-2.1 145,-3.7 21,-0.2 2,-0.6 -0.993 10.8-158.9-134.5 134.9 30.5 41.8 7.4 4 5 A I E -ab 26 148A 0 21,-2.9 23,-2.8 -2,-0.4 2,-0.5 -0.953 16.2-164.9-104.1 120.6 28.1 40.7 4.8 5 6 A I E -ab 27 149A 0 143,-2.7 145,-1.9 -2,-0.6 2,-0.5 -0.937 7.6-163.6-107.5 121.2 29.8 40.5 1.4 6 7 A A E - b 0 150A 0 21,-2.5 23,-0.3 -2,-0.5 145,-0.2 -0.923 12.9-170.4-115.0 121.6 27.4 40.3 -1.5 7 8 A G - 0 0 7 143,-2.9 145,-0.2 -2,-0.5 22,-0.0 -0.301 37.7-111.8 -83.2-174.3 28.1 39.2 -5.1 8 9 A N + 0 0 13 -2,-0.1 153,-2.5 143,-0.1 154,-0.3 0.193 69.0 126.6-113.4 19.3 25.3 39.8 -7.6 9 10 A G S > S- 0 0 8 142,-2.7 3,-2.2 151,-0.3 4,-0.2 -0.132 78.9 -90.7 -69.8 170.1 24.3 36.2 -8.4 10 11 A P G > S+ 0 0 34 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.792 119.5 71.2 -55.0 -32.0 20.7 34.8 -8.2 11 12 A S G > S+ 0 0 6 1,-0.3 3,-2.5 2,-0.2 197,-0.1 0.686 75.3 82.4 -64.9 -14.1 21.3 33.7 -4.5 12 13 A L G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.809 94.3 49.0 -52.3 -27.2 21.2 37.4 -3.5 13 14 A K G < S+ 0 0 57 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.253 105.4 59.1 -94.1 5.0 17.5 36.9 -3.7 14 15 A E < + 0 0 106 -3,-2.5 194,-0.4 2,-0.0 2,-0.2 -0.092 67.3 146.8-133.9 33.4 17.5 33.7 -1.6 15 16 A I - 0 0 13 -3,-0.4 2,-1.1 191,-0.1 191,-0.2 -0.532 49.3-132.6 -68.2 134.7 19.1 34.9 1.7 16 17 A D > - 0 0 49 189,-2.6 3,-2.3 -2,-0.2 4,-0.1 -0.804 22.6-165.0 -89.3 99.2 17.8 33.1 4.8 17 18 A Y G > S+ 0 0 34 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.636 79.0 69.7 -73.7 -13.5 17.3 36.2 6.8 18 19 A S G 3 S+ 0 0 32 1,-0.2 203,-3.4 204,-0.1 205,-1.1 0.588 97.0 57.6 -73.9 -8.8 16.9 34.4 10.2 19 20 A R G < S+ 0 0 55 -3,-2.3 -1,-0.2 201,-0.2 -2,-0.2 0.298 77.7 123.6-100.9 6.1 20.7 33.7 9.7 20 21 A L < - 0 0 2 -3,-1.3 203,-0.2 203,-0.1 201,-0.1 -0.511 64.9-119.7 -70.4 128.7 21.5 37.4 9.5 21 22 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.155 17.7-114.2 -70.5 167.5 24.1 38.4 12.1 22 23 A N S S+ 0 0 129 1,-0.2 2,-0.6 201,-0.0 -2,-0.0 0.972 97.6 24.0 -63.0 -59.2 23.4 41.0 14.8 23 24 A D S S+ 0 0 91 -20,-0.0 -21,-2.4 2,-0.0 2,-0.3 -0.875 83.3 158.4-125.1 92.8 25.8 43.8 14.0 24 25 A F E -a 2 0A 49 -2,-0.6 2,-0.3 -3,-0.2 -21,-0.2 -0.888 35.4-150.3-131.0 153.4 27.0 44.1 10.4 25 26 A D E -a 3 0A 16 -23,-2.2 -21,-2.9 -2,-0.3 2,-0.4 -0.770 28.5-132.9-102.2 156.7 28.4 46.2 7.6 26 27 A V E -a 4 0A 6 -2,-0.3 19,-2.7 -23,-0.2 20,-1.6 -0.962 11.2-160.7-118.8 131.6 27.6 45.5 4.0 27 28 A F E +ac 5 46A 0 -23,-2.8 -21,-2.5 -2,-0.4 2,-0.3 -0.946 16.8 177.5-107.5 123.7 30.0 45.2 1.0 28 29 A R E - c 0 47A 0 18,-2.1 20,-2.1 -2,-0.5 2,-0.3 -0.795 6.2-163.8-117.6 162.9 28.4 45.6 -2.5 29 30 A C E > - c 0 48A 5 -23,-0.3 3,-1.4 -2,-0.3 20,-0.2 -0.973 40.8 -26.0-144.6 160.7 30.0 45.6 -5.9 30 31 A N G > S+ 0 0 21 18,-2.6 3,-0.6 -2,-0.3 2,-0.2 0.020 123.7 5.5 45.7-125.9 29.5 46.5 -9.6 31 32 A Q G > S+ 0 0 12 1,-0.2 3,-2.6 2,-0.1 -1,-0.3 0.079 86.5 128.2 -81.5 29.5 25.9 46.5 -10.8 32 33 A F G X + 0 0 0 -3,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.846 63.4 66.3 -52.3 -36.9 24.5 45.8 -7.3 33 34 A Y G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.626 80.5 77.9 -67.0 -11.4 22.2 48.8 -7.7 34 35 A F G < + 0 0 6 -3,-2.6 -1,-0.3 201,-0.1 129,-0.2 0.546 69.3 120.7 -69.2 -6.1 20.3 46.9 -10.5 35 36 A E < - 0 0 1 -3,-1.9 127,-0.1 -4,-0.2 3,-0.0 -0.283 62.6-143.6 -63.1 145.7 18.6 44.9 -7.6 36 37 A D S S+ 0 0 36 125,-0.3 194,-1.2 1,-0.1 2,-0.3 0.626 82.8 28.4 -92.6 -11.4 14.8 45.2 -7.6 37 38 A K B S-H 229 0B 45 192,-0.2 2,-2.1 4,-0.0 192,-0.2 -0.953 92.2-101.7-137.4 162.1 14.6 45.2 -3.8 38 39 A Y > + 0 0 15 190,-2.9 3,-1.6 -2,-0.3 190,-0.4 -0.506 46.1 173.8 -81.6 73.4 16.9 46.3 -1.0 39 40 A Y T 3 S+ 0 0 15 -2,-2.1 -1,-0.2 1,-0.3 3,-0.1 0.729 83.2 18.6 -57.4 -23.3 18.0 42.7 -0.3 40 41 A L T 3 S- 0 0 5 1,-0.4 -1,-0.3 -3,-0.2 3,-0.2 0.107 121.1 -97.7-133.9 23.0 20.7 43.9 2.1 41 42 A G < - 0 0 21 -3,-1.6 -1,-0.4 1,-0.1 -2,-0.1 -0.129 37.0 -80.8 84.0 177.5 19.4 47.5 2.9 42 43 A K S S+ 0 0 77 -4,-0.1 29,-2.4 28,-0.1 2,-0.6 0.552 100.3 86.9 -92.9 -13.1 20.3 50.9 1.5 43 44 A K E - d 0 71A 136 27,-0.2 2,-0.4 -3,-0.2 29,-0.2 -0.821 55.1-174.7-105.7 120.9 23.4 51.4 3.6 44 45 A C E - d 0 72A 4 27,-2.9 29,-1.4 -2,-0.6 -17,-0.2 -0.888 25.6-156.9-114.0 142.6 26.8 50.1 2.5 45 46 A K E S- 0 0 50 -19,-2.7 29,-1.8 -2,-0.4 2,-0.3 0.867 87.7 -3.9 -75.4 -39.7 30.0 50.1 4.4 46 47 A A E -cd 27 74A 0 -20,-1.6 -18,-2.1 27,-0.2 2,-0.4 -0.996 58.2-156.8-152.9 146.6 31.8 49.9 1.0 47 48 A V E -cd 28 75A 1 27,-1.6 29,-2.6 -2,-0.3 2,-0.4 -0.988 17.0-153.0-124.6 139.3 31.0 49.5 -2.7 48 49 A F E -cd 29 76A 1 -20,-2.1 -18,-2.6 -2,-0.4 2,-0.4 -0.899 10.7-175.0-117.1 141.0 33.6 48.1 -5.1 49 50 A Y E - d 0 77A 0 27,-2.4 29,-2.2 -2,-0.4 5,-0.1 -0.981 27.9-112.2-135.6 141.7 33.9 48.8 -8.8 50 51 A N > - 0 0 61 -2,-0.4 3,-0.6 27,-0.2 4,-0.2 -0.371 29.3-118.8 -63.2 149.7 36.2 47.4 -11.5 51 52 A P G > S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.868 106.9 66.1 -55.0 -36.8 38.8 49.7 -13.0 52 53 A S G 3 S+ 0 0 92 1,-0.3 3,-0.1 33,-0.2 34,-0.0 0.830 116.5 22.4 -69.6 -28.4 37.3 49.3 -16.5 53 54 A L G <> S+ 0 0 23 -3,-0.6 4,-2.4 1,-0.1 -1,-0.3 0.122 88.8 114.1-117.2 29.2 34.0 51.1 -15.8 54 55 A F H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.884 71.8 56.7 -68.2 -39.3 35.1 53.1 -12.7 55 56 A F H > S+ 0 0 28 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.905 115.9 36.4 -55.8 -48.2 34.6 56.5 -14.3 56 57 A E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 182,-0.4 0.829 116.1 53.7 -75.4 -37.2 31.0 55.9 -15.2 57 58 A Q H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.844 107.5 51.6 -67.6 -35.5 30.3 53.9 -12.0 58 59 A Y H X S+ 0 0 35 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.925 111.0 47.5 -64.9 -44.7 31.6 56.7 -9.8 59 60 A Y H X S+ 0 0 117 -4,-1.3 4,-1.2 -5,-0.2 -2,-0.2 0.872 113.3 49.2 -61.2 -42.3 29.3 59.2 -11.6 60 61 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 178,-0.2 3,-0.3 0.917 107.4 54.0 -67.8 -41.3 26.4 56.8 -11.2 61 62 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.899 103.2 56.1 -61.4 -39.8 27.1 56.3 -7.5 62 63 A K H X S+ 0 0 85 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.867 109.2 48.0 -61.1 -34.3 27.0 60.1 -6.9 63 64 A H H X S+ 0 0 66 -4,-1.2 4,-2.5 -3,-0.3 -1,-0.2 0.899 108.7 53.9 -70.5 -39.5 23.5 60.1 -8.4 64 65 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-0.8 0.925 113.4 42.5 -59.4 -45.5 22.5 57.1 -6.3 65 66 A I H ><5S+ 0 0 63 -4,-2.6 3,-1.8 3,-0.2 -2,-0.2 0.953 114.9 47.8 -66.0 -52.4 23.5 58.9 -3.1 66 67 A Q H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.7 50.3 -58.3 -36.1 22.1 62.3 -4.0 67 68 A N T 3<5S- 0 0 69 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.441 113.9-122.3 -84.7 0.9 18.8 60.5 -5.0 68 69 A Q T < 5S+ 0 0 153 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.749 76.7 122.8 65.3 28.8 18.8 58.8 -1.7 69 70 A E S > - 0 0 35 1,-0.1 3,-1.9 5,-0.0 4,-1.4 -0.989 53.5-146.8-129.7 120.8 48.9 44.6 -13.1 83 84 A A T 34 S+ 0 0 98 -2,-0.4 3,-0.1 1,-0.3 5,-0.1 0.824 100.3 55.3 -59.2 -31.1 49.4 46.3 -16.4 84 85 A H T 34 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.607 113.0 42.3 -77.9 -9.4 47.3 43.6 -18.2 85 86 A L T <4 S+ 0 0 41 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.588 119.5 18.1-111.5 -14.1 44.3 44.3 -15.8 86 87 A E S < S- 0 0 18 -4,-1.4 2,-0.3 -3,-0.1 -1,-0.2 -0.995 80.9 -93.1-156.4 156.4 44.1 48.1 -15.5 87 88 A N > - 0 0 28 -2,-0.3 4,-1.5 164,-0.2 5,-0.1 -0.563 31.0-143.2 -74.4 131.3 45.2 51.4 -17.1 88 89 A E H > S+ 0 0 168 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.877 98.4 47.4 -69.2 -40.4 48.5 52.6 -15.5 89 90 A N H > S+ 0 0 34 161,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.844 106.9 59.9 -71.8 -29.7 47.7 56.4 -15.6 90 91 A F H > S+ 0 0 4 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.923 111.0 40.3 -56.5 -46.3 44.3 55.6 -14.1 91 92 A V H >< S+ 0 0 24 -4,-1.5 3,-0.6 2,-0.2 4,-0.3 0.905 113.5 53.8 -74.3 -40.7 46.0 54.1 -11.0 92 93 A K H 3< S+ 0 0 165 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.881 120.4 30.9 -60.8 -40.2 48.7 56.7 -10.8 93 94 A T H >X S+ 0 0 21 -4,-2.2 3,-1.8 1,-0.2 4,-1.3 0.382 88.0 112.8-101.8 3.5 46.3 59.7 -10.8 94 95 A F H XX S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.5 3,-0.7 0.822 73.2 49.6 -46.3 -53.7 43.4 58.0 -9.0 95 96 A Y H 34 S+ 0 0 80 -4,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.649 111.2 51.2 -67.9 -15.2 43.4 59.9 -5.7 96 97 A D H <4 S+ 0 0 136 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.695 115.2 40.7 -95.2 -22.6 43.5 63.2 -7.5 97 98 A Y H << S+ 0 0 114 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.739 132.4 24.5 -89.4 -27.8 40.5 62.3 -9.8 98 99 A F >< + 0 0 8 -4,-2.5 3,-2.2 -5,-0.2 -1,-0.2 -0.638 69.8 171.9-134.6 72.0 38.5 60.6 -7.0 99 100 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.734 77.1 50.6 -70.4 -18.2 39.7 62.0 -3.8 100 101 A D T 3 S+ 0 0 77 2,-0.0 -25,-0.5 -26,-0.0 2,-0.2 0.310 102.3 79.9 -94.0 9.4 37.0 60.3 -1.6 101 102 A A < - 0 0 1 -3,-2.2 2,-0.4 -7,-0.1 -25,-0.2 -0.549 66.8-138.3-108.5 175.9 37.7 56.9 -3.1 102 103 A H E -e 76 0A 61 -27,-3.0 -25,-2.5 -2,-0.2 2,-0.6 -0.977 16.8-123.7-133.3 143.7 40.3 54.2 -2.5 103 104 A L E > -e 77 0A 11 -2,-0.4 3,-1.5 -27,-0.2 4,-0.4 -0.820 25.2-143.2 -77.0 121.0 42.3 51.9 -4.7 104 105 A G T >> S+ 0 0 0 -27,-3.5 4,-2.9 -2,-0.6 3,-1.6 0.785 95.1 70.4 -57.3 -29.0 41.5 48.5 -3.3 105 106 A Y H 3> S+ 0 0 24 -28,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.801 83.2 70.7 -63.3 -27.2 45.0 47.3 -3.9 106 107 A D H <4 S+ 0 0 54 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.835 115.0 27.4 -53.3 -32.4 46.1 49.6 -1.0 107 108 A F H X4 S+ 0 0 32 -3,-1.6 3,-1.4 -4,-0.4 4,-0.4 0.841 117.6 57.2 -95.8 -46.0 44.3 47.0 1.2 108 109 A F H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 7,-0.3 0.899 102.9 56.4 -52.3 -44.3 44.6 43.8 -0.9 109 110 A K T 3< S+ 0 0 97 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.693 89.7 73.4 -70.8 -13.7 48.4 44.1 -0.9 110 111 A Q T < S+ 0 0 123 -3,-1.4 2,-1.1 -5,-0.2 -1,-0.3 0.670 85.8 69.6 -70.5 -16.4 48.5 44.1 2.9 111 112 A L S <> S+ 0 0 10 -3,-1.9 4,-2.9 -4,-0.4 5,-0.2 -0.747 70.8 176.9 -98.4 82.3 47.6 40.4 2.7 112 113 A K H > S+ 0 0 158 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.898 72.2 50.2 -63.6 -43.9 50.9 39.4 1.3 113 114 A D H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 115.6 45.4 -61.5 -37.3 50.4 35.6 1.1 114 115 A F H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.883 108.8 53.4 -74.7 -39.6 47.2 36.2 -0.7 115 116 A N H X S+ 0 0 20 -4,-2.9 4,-2.8 -7,-0.3 5,-0.2 0.954 113.2 46.3 -56.5 -46.3 48.5 38.8 -3.1 116 117 A A H X S+ 0 0 58 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.932 112.7 49.4 -59.6 -46.9 51.2 36.2 -3.9 117 118 A Y H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.953 114.5 44.8 -57.0 -52.9 48.5 33.4 -4.2 118 119 A F H X S+ 0 0 1 -4,-3.5 4,-2.6 1,-0.2 5,-0.2 0.911 114.6 48.2 -56.3 -47.4 46.4 35.6 -6.5 119 120 A K H X S+ 0 0 28 -4,-2.8 4,-2.8 -5,-0.2 5,-0.4 0.926 109.7 51.1 -66.4 -42.9 49.3 36.7 -8.7 120 121 A F H X>S+ 0 0 106 -4,-2.6 4,-1.9 -5,-0.2 5,-0.5 0.948 115.0 43.0 -63.0 -44.2 50.7 33.3 -9.2 121 122 A H H X5S+ 0 0 38 -4,-2.0 6,-2.3 -5,-0.3 4,-1.4 0.914 118.2 44.1 -67.5 -42.3 47.4 31.8 -10.3 122 123 A E H X5S+ 0 0 7 -4,-2.6 4,-1.0 4,-0.3 -2,-0.2 0.962 120.0 38.3 -66.7 -53.1 46.5 34.8 -12.5 123 124 A I H <5S+ 0 0 87 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.895 128.5 28.6 -67.9 -44.9 49.8 35.3 -14.2 124 125 A Y H <5S+ 0 0 164 -4,-1.9 -3,-0.2 -5,-0.4 -1,-0.2 0.733 135.5 22.2 -94.8 -25.4 50.9 31.7 -14.7 125 126 A F H <> - 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