==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-06 2NZY . COMPND 2 MOLECULE: ALPHA1,3-FUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR H.Y.SUN,T.P.KO . 1032 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.7 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 . 3 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 . 1 0.1 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 . 86 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 5 1 3 6 8 1 1 4 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 7 10 3 6 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 . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 3 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 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 82 0, 0.0 4,-0.6 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 100.2 -9.5 98.4 74.6 2 2 A F H > + 0 0 1 245,-0.4 4,-2.8 1,-0.2 3,-0.3 0.788 360.0 80.0 -78.1 -31.5 -6.3 96.8 75.9 3 3 A Q H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 93.4 46.2 -46.5 -52.1 -7.8 94.5 78.4 4 4 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 112.4 51.7 -61.5 -39.4 -8.9 91.8 75.9 5 5 A L H X S+ 0 0 0 -4,-0.6 4,-3.0 -3,-0.3 -2,-0.2 0.913 111.2 47.8 -61.8 -44.9 -5.5 91.9 74.2 6 6 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.909 109.7 54.2 -64.2 -38.0 -3.8 91.4 77.6 7 7 A D H X S+ 0 0 81 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.910 111.7 43.2 -62.6 -43.4 -6.2 88.6 78.3 8 8 A A H X S+ 0 0 16 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.937 112.4 53.4 -68.6 -41.2 -5.2 86.8 75.1 9 9 A Y H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.932 108.8 49.5 -61.6 -41.6 -1.5 87.5 75.7 10 10 A V H < S+ 0 0 5 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.890 111.3 49.1 -64.2 -36.9 -1.8 85.9 79.1 11 11 A E H >< S+ 0 0 103 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.919 106.9 55.0 -67.7 -40.9 -3.5 82.9 77.7 12 12 A S H 3< S+ 0 0 15 -4,-3.0 308,-2.9 1,-0.3 309,-0.5 0.716 103.7 59.0 -63.2 -16.3 -0.8 82.6 75.0 13 13 A A T 3< S+ 0 0 2 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.400 81.1 112.9 -93.9 4.9 1.7 82.5 77.9 14 14 A S < + 0 0 66 -3,-1.9 307,-0.3 -4,-0.1 2,-0.3 -0.659 31.4 142.8 -90.6 131.9 0.3 79.5 79.5 15 15 A I - 0 0 29 -2,-0.4 3,-0.0 305,-0.1 -2,-0.0 -0.885 59.2 -72.8-147.7 169.8 2.3 76.3 79.6 16 16 A E - 0 0 135 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.404 57.9-107.6 -68.7 152.3 2.7 73.5 82.2 17 17 A K - 0 0 153 1,-0.1 -1,-0.1 2,-0.1 37,-0.0 -0.589 51.1 -74.7 -82.4 144.7 4.9 74.7 85.1 18 18 A M - 0 0 76 -2,-0.2 -1,-0.1 35,-0.2 3,-0.1 -0.115 42.8-148.5 -41.3 112.0 8.4 73.2 85.4 19 19 A A S S+ 0 0 106 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.903 82.0 21.4 -50.6 -50.1 7.9 69.7 86.6 20 20 A S S S- 0 0 70 2,-0.0 2,-3.9 0, 0.0 -1,-0.2 -0.992 80.6-122.8-128.6 127.9 11.2 69.5 88.6 21 21 A K S S+ 0 0 206 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 -0.028 90.8 95.5 -61.9 40.9 13.2 72.6 89.8 22 22 A S - 0 0 81 -2,-3.9 -1,-0.2 32,-0.0 34,-0.1 -0.404 57.6-175.3-128.2 53.3 16.1 71.3 87.9 23 23 A P - 0 0 29 0, 0.0 33,-0.3 0, 0.0 32,-0.2 -0.315 32.5-113.2 -56.3 120.4 16.0 73.2 84.5 24 24 A P - 0 0 69 0, 0.0 32,-2.4 0, 0.0 2,-0.1 -0.137 38.6 -92.7 -55.7 148.7 18.7 71.8 82.2 25 25 A P E -a 56 0A 90 0, 0.0 2,-0.4 0, 0.0 32,-0.2 -0.300 38.1-174.0 -64.4 136.3 21.6 74.2 81.3 26 26 A L E -a 57 0A 2 30,-2.3 32,-2.2 -3,-0.1 2,-0.6 -0.971 8.8-157.6-134.4 120.3 21.4 76.3 78.2 27 27 A K E -a 58 0A 32 -2,-0.4 42,-2.0 30,-0.2 41,-1.9 -0.879 12.0-173.1-103.9 118.9 24.5 78.3 77.2 28 28 A I E -ab 59 69A 0 30,-2.8 32,-2.6 -2,-0.6 2,-0.4 -0.932 13.9-148.8-115.2 125.5 23.8 81.3 75.0 29 29 A A E +ab 60 70A 2 40,-3.2 42,-3.0 -2,-0.5 2,-0.2 -0.754 25.6 173.1 -89.9 136.9 26.4 83.5 73.4 30 30 A V - 0 0 10 30,-2.3 42,-0.1 -2,-0.4 9,-0.0 -0.778 43.0 -39.9-133.3 175.6 25.4 87.1 72.8 31 31 A A > - 0 0 27 -2,-0.2 3,-0.7 1,-0.1 -1,-0.1 -0.029 42.8-149.0 -42.8 122.8 27.0 90.4 71.6 32 32 A N T 3 S+ 0 0 75 1,-0.2 -1,-0.1 -3,-0.1 29,-0.1 0.788 96.4 55.5 -67.4 -28.3 30.5 90.9 73.0 33 33 A W T 3 S+ 0 0 190 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.694 80.9 120.3 -77.9 -20.6 30.2 94.7 73.0 34 34 A W < - 0 0 58 -3,-0.7 2,-0.1 4,-0.1 -4,-0.0 -0.151 50.8-153.6 -48.6 130.8 27.0 94.5 75.2 35 35 A G > - 0 0 28 1,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.351 38.7 -86.2 -95.1-177.8 27.4 96.2 78.6 36 36 A D H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.813 127.4 59.5 -61.3 -27.7 25.5 95.4 81.8 37 37 A E H > S+ 0 0 162 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.993 109.1 42.0 -62.8 -58.1 22.6 97.7 80.6 38 38 A E H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.832 112.7 53.9 -57.8 -35.5 22.0 95.6 77.4 39 39 A I H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.904 109.4 48.6 -67.0 -38.0 22.5 92.3 79.4 40 40 A K H X S+ 0 0 163 -4,-2.1 4,-0.7 -3,-0.3 -2,-0.2 0.940 111.5 49.6 -65.3 -46.4 19.8 93.5 81.8 41 41 A E H >< S+ 0 0 141 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.951 112.9 47.2 -58.8 -45.4 17.5 94.4 79.0 42 42 A F H >< S+ 0 0 20 -4,-2.8 3,-1.8 1,-0.3 6,-0.4 0.919 106.5 56.5 -64.1 -39.3 18.1 91.0 77.3 43 43 A K H 3< S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.684 111.7 47.8 -67.3 -9.7 17.5 89.2 80.6 44 44 A N T << S+ 0 0 69 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.338 87.5 105.6-110.1 9.0 14.2 91.0 80.5 45 45 A S S <> S- 0 0 13 -3,-1.8 4,-1.9 -4,-0.2 5,-0.2 -0.415 80.0-112.7 -85.4 161.2 13.0 90.3 76.9 46 46 A V H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.882 113.6 58.6 -65.9 -32.9 10.3 87.8 76.2 47 47 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.962 110.0 43.2 -63.5 -44.6 12.5 85.4 74.5 48 48 A Y H > S+ 0 0 40 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.859 113.6 53.7 -63.3 -37.7 14.8 85.0 77.6 49 49 A F H X S+ 0 0 18 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.942 108.8 47.0 -65.1 -47.5 11.7 84.9 79.8 50 50 A I H >< S+ 0 0 0 -4,-3.2 3,-1.1 1,-0.2 4,-0.2 0.930 114.4 47.1 -60.5 -44.6 10.1 82.0 77.8 51 51 A L H >X S+ 0 0 1 -4,-2.3 3,-2.3 -5,-0.3 4,-1.6 0.870 101.4 63.7 -69.4 -36.6 13.4 80.0 77.8 52 52 A S H 3< S+ 0 0 45 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 91.7 67.9 -62.9 -12.1 14.0 80.5 81.5 53 53 A Q T << S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.614 117.6 21.8 -77.6 -10.9 10.8 78.5 82.1 54 54 A R T <4 S+ 0 0 50 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.454 123.6 40.5-133.3 -6.1 12.5 75.4 80.8 55 55 A Y S < S- 0 0 37 -4,-1.6 2,-0.9 -32,-0.2 -1,-0.2 -0.968 70.5-120.7-143.8 160.7 16.3 75.9 81.1 56 56 A T E -a 25 0A 76 -32,-2.4 -30,-2.3 -33,-0.3 2,-0.3 -0.895 45.5-147.4-101.0 105.6 18.9 77.3 83.5 57 57 A I E -a 26 0A 23 -2,-0.9 2,-0.4 -32,-0.2 -30,-0.2 -0.630 23.6-177.9 -87.4 139.2 20.4 80.0 81.3 58 58 A T E -a 27 0A 62 -32,-2.2 -30,-2.8 -2,-0.3 2,-0.4 -0.986 18.0-145.3-126.1 132.7 24.0 81.2 81.3 59 59 A L E -a 28 0A 35 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.813 10.3-157.8-100.7 145.4 25.0 84.0 78.9 60 60 A H E +a 29 0A 11 -32,-2.6 -30,-2.3 -2,-0.4 5,-0.0 -0.982 24.9 166.2-123.8 134.0 28.5 84.0 77.3 61 61 A Q + 0 0 64 -2,-0.4 -1,-0.1 -32,-0.2 -32,-0.1 0.036 53.3 102.2-126.3 17.4 30.2 87.1 76.0 62 62 A N > - 0 0 66 1,-0.1 3,-0.9 4,-0.1 -30,-0.0 -0.898 61.2-152.8-104.6 118.6 33.7 85.5 75.7 63 63 A P T 3 S+ 0 0 44 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.865 92.8 63.0 -62.7 -25.9 34.6 84.5 72.1 64 64 A N T 3 S+ 0 0 73 -3,-0.1 965,-2.4 2,-0.0 2,-0.4 -0.149 89.3 92.0 -90.4 41.3 36.9 81.7 73.5 65 65 A E B < S-D 1028 0B 51 -3,-0.9 2,-0.2 -2,-0.5 963,-0.2 -0.994 74.2-122.1-134.5 146.0 34.0 79.8 75.1 66 66 A F - 0 0 12 961,-2.6 2,-0.3 -2,-0.4 -4,-0.1 -0.605 33.2-178.0 -80.4 148.0 31.7 77.0 73.8 67 67 A S - 0 0 22 -2,-0.2 13,-0.3 1,-0.1 -39,-0.2 -0.941 36.2-132.9-142.7 156.7 27.9 77.7 73.8 68 68 A D S S+ 0 0 62 -41,-1.9 2,-0.3 -2,-0.3 12,-0.3 0.818 96.3 18.9 -79.4 -34.9 24.8 75.7 72.8 69 69 A L E -b 28 0A 0 -42,-2.0 -40,-3.2 10,-0.1 2,-0.5 -0.983 63.8-151.4-136.3 148.2 23.4 78.7 70.8 70 70 A V E -bc 29 81A 8 10,-2.2 12,-3.6 -2,-0.3 -40,-0.2 -0.986 31.9-157.1-119.4 123.2 25.0 81.8 69.3 71 71 A F + 0 0 12 -42,-3.0 2,-0.3 -2,-0.5 12,-0.1 -0.254 30.1 11.4-100.6-177.1 22.6 84.7 69.0 72 72 A G S S- 0 0 21 1,-0.2 12,-2.8 -2,-0.1 -2,-0.0 -0.415 88.4 -62.2 70.6-126.0 21.6 88.0 67.4 73 73 A N 0 0 66 -2,-0.3 -1,-0.2 10,-0.2 10,-0.1 -0.401 360.0 360.0-165.1 74.0 23.0 89.5 64.3 74 74 A P 0 0 128 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 0.989 360.0 360.0 -75.5 360.0 26.7 90.3 64.8 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 84 A Y > 0 0 76 0, 0.0 3,-1.4 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 -49.6 30.7 81.4 66.5 77 85 A Q T 3 + 0 0 105 1,-0.3 4,-0.1 3,-0.0 261,-0.0 0.894 360.0 30.0 -54.7 -40.0 31.2 80.8 62.8 78 86 A N T 3 S+ 0 0 16 2,-0.1 693,-0.4 262,-0.1 -1,-0.3 0.080 102.1 100.7-110.3 23.2 30.7 77.0 63.2 79 87 A A S < S- 0 0 4 -3,-1.4 2,-1.1 691,-0.1 18,-0.2 -0.395 93.1 -77.5 -95.7-179.9 28.4 77.1 66.2 80 88 A K - 0 0 18 -13,-0.3 -10,-2.2 -12,-0.3 2,-0.4 -0.682 62.5-156.5 -82.0 95.5 24.4 76.6 66.2 81 89 A R B -c 70 0A 15 -2,-1.1 17,-2.5 -12,-0.2 16,-0.7 -0.657 18.2-168.9 -89.7 132.5 23.5 80.1 65.1 82 90 A V E -e 98 0C 0 -12,-3.6 2,-0.5 -2,-0.4 17,-0.3 -0.955 13.3-145.9-120.1 124.5 20.2 82.0 65.6 83 91 A F E +e 99 0C 1 15,-2.6 17,-2.9 -2,-0.5 2,-0.3 -0.803 29.7 158.5 -89.1 127.5 19.4 85.2 63.8 84 92 A Y E +e 100 0C 39 -12,-2.8 2,-0.3 -2,-0.5 17,-0.1 -0.927 8.0 163.3-149.2 119.5 17.3 87.6 65.9 85 93 A T - 0 0 33 15,-0.6 4,-0.1 -2,-0.3 -2,-0.0 -0.966 40.4-144.7-138.6 157.2 17.1 91.4 65.3 86 94 A G S S+ 0 0 37 -2,-0.3 30,-0.1 2,-0.1 -1,-0.1 0.727 78.6 92.2 -86.5 -23.4 15.0 94.3 66.2 87 95 A E S S- 0 0 120 1,-0.1 2,-1.5 3,-0.0 -2,-0.1 -0.022 92.9-102.9 -66.0 168.6 15.5 95.8 62.7 88 96 A N S S+ 0 0 29 13,-0.1 2,-0.4 150,-0.1 -1,-0.1 -0.669 78.6 126.6 -93.3 78.4 13.5 95.5 59.5 89 97 A E - 0 0 60 -2,-1.5 13,-0.2 -4,-0.1 14,-0.1 -0.989 57.0-132.2-144.1 126.4 16.0 93.0 58.0 90 98 A S - 0 0 6 -2,-0.4 348,-0.1 1,-0.1 2,-0.1 -0.476 39.5 -97.1 -77.9 153.7 15.4 89.5 56.6 91 99 A P - 0 0 4 0, 0.0 2,-0.9 0, 0.0 346,-0.3 -0.394 20.5-128.6 -73.2 148.0 17.8 86.7 57.9 92 100 A N >> - 0 0 52 1,-0.1 4,-1.9 344,-0.1 3,-0.7 -0.828 22.5-170.0 -91.9 103.2 20.9 85.5 56.0 93 101 A F T 34 S+ 0 0 5 -2,-0.9 -1,-0.1 342,-0.4 343,-0.1 0.576 78.2 68.1 -76.9 -4.5 20.3 81.8 55.9 94 102 A N T 34 S+ 0 0 19 340,-0.1 245,-3.7 244,-0.1 -1,-0.2 0.876 113.1 30.2 -75.4 -34.1 23.8 81.1 54.6 95 103 A L T <4 S+ 0 0 76 -3,-0.7 2,-0.5 243,-0.2 -2,-0.2 0.734 117.2 59.6 -93.6 -30.2 25.3 82.2 57.9 96 104 A F < - 0 0 4 -4,-1.9 -14,-0.1 1,-0.1 -1,-0.1 -0.879 57.2-159.5-109.5 134.0 22.6 81.3 60.4 97 105 A D S S+ 0 0 0 -16,-0.7 2,-0.3 -2,-0.5 -15,-0.2 0.879 83.4 15.5 -69.8 -38.8 21.2 77.9 61.0 98 106 A Y E -e 82 0C 0 -17,-2.5 -15,-2.6 2,-0.0 2,-0.3 -0.924 67.1-163.4-135.9 160.4 18.0 79.3 62.4 99 107 A A E -ef 83 111C 0 11,-2.1 13,-2.1 -2,-0.3 2,-0.4 -0.999 12.5-161.4-149.2 148.5 16.2 82.6 62.5 100 108 A I E +ef 84 112C 0 -17,-2.9 -15,-0.6 -2,-0.3 13,-0.2 -0.999 41.0 125.7-128.2 123.9 13.4 84.4 64.4 101 109 A G E - f 0 113C 10 11,-2.2 13,-2.1 -2,-0.4 -11,-0.1 -0.744 66.8 -91.2-155.6-161.0 11.9 87.5 62.7 102 110 A F S S+ 0 0 16 -2,-0.2 11,-0.1 -13,-0.2 -12,-0.1 0.577 77.0 115.4-105.4 -15.2 8.9 89.4 61.4 103 111 A D - 0 0 6 -14,-0.1 2,-1.5 1,-0.1 -2,-0.2 -0.225 69.3-127.8 -59.1 144.6 8.9 88.0 57.8 104 112 A E + 0 0 19 132,-0.5 2,-0.3 347,-0.1 -1,-0.1 -0.710 64.9 129.0 -89.0 87.9 5.9 85.9 56.7 105 113 A L - 0 0 18 -2,-1.5 2,-0.5 346,-0.1 346,-0.2 -0.985 50.9-145.8-146.1 150.9 8.0 83.0 55.5 106 114 A D B +G 450 0D 82 344,-2.9 344,-2.9 -2,-0.3 3,-0.1 -0.975 27.4 157.5-124.0 116.8 8.0 79.3 56.0 107 115 A F > - 0 0 9 -2,-0.5 3,-2.5 1,-0.5 342,-0.1 -0.279 52.0-124.9-129.3 40.0 11.4 77.6 56.1 108 116 A N G > S- 0 0 103 1,-0.3 3,-0.9 2,-0.2 -1,-0.5 -0.273 84.5 -2.7 52.7-124.6 10.1 74.6 58.1 109 117 A D G 3 S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.1 220,-0.0 0.588 126.6 69.9 -73.6 -9.8 12.2 74.1 61.2 110 118 A R G < S+ 0 0 17 -3,-2.5 -11,-2.1 -12,-0.1 2,-0.4 0.614 95.2 48.4 -85.8 -9.2 14.6 76.9 60.4 111 119 A Y E < -f 99 0C 17 -3,-0.9 2,-0.4 -13,-0.2 -4,-0.3 -0.991 49.8-179.2-139.4 139.4 12.4 80.0 60.9 112 120 A L E -f 100 0C 9 -13,-2.1 -11,-2.2 -2,-0.4 2,-0.7 -1.000 23.0-138.5-133.0 132.6 9.9 81.3 63.5 113 121 A R E +f 101 0C 14 -2,-0.4 -11,-0.2 -13,-0.2 -13,-0.0 -0.839 33.7 159.0 -93.2 117.4 7.9 84.6 63.2 114 122 A M - 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0 0 72 -2,-0.3 3,-0.5 3,-0.2 -6,-0.1 -0.764 15.9-154.7 -92.5 129.5 -14.2 110.9 79.2 169 177 A P T 3 S+ 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.770 97.1 57.2 -70.0 -22.4 -12.2 109.5 76.2 170 178 A L T 3 S+ 0 0 50 1,-0.2 2,-1.2 -3,-0.0 55,-0.1 0.684 92.5 74.0 -79.9 -17.7 -13.8 112.2 73.9 171 179 A K S < S+ 0 0 171 -3,-0.5 2,-0.3 53,-0.1 -1,-0.2 -0.503 80.8 91.3 -99.2 68.1 -12.5 114.9 76.2 172 180 A R S S- 0 0 34 -2,-1.2 52,-0.2 -3,-0.2 53,-0.1 -0.936 82.4 -78.2-147.8 167.5 -8.8 114.7 75.2 173 181 A G E -i 224 0F 32 50,-1.8 52,-2.5 -2,-0.3 53,-0.2 0.014 46.6-108.8 -60.9 175.2 -6.5 116.3 72.6 174 182 A F E S- 0 0 15 1,-0.2 52,-2.3 50,-0.2 51,-0.5 0.988 79.0 -9.1 -73.4 -74.5 -6.5 115.2 69.0 175 183 A A E -ij 226 200F 0 24,-0.6 26,-2.9 50,-0.2 -1,-0.2 -0.982 47.9-149.2-144.6 143.6 -3.3 113.3 68.4 176 184 A S E -ij 227 201F 0 50,-2.1 52,-2.6 -2,-0.4 2,-0.3 -0.575 9.5-171.9 -96.6 155.3 0.1 112.3 69.8 177 185 A F E + j 0 202F 2 24,-1.5 26,-2.1 -2,-0.2 27,-1.0 -0.842 4.3 178.8-150.9 107.7 3.3 111.7 67.9 178 186 A V + 0 0 37 50,-0.5 2,-0.3 -2,-0.3 29,-0.1 -0.896 23.7 134.3-118.5 107.1 6.3 110.3 69.7 179 187 A A + 0 0 8 -2,-0.6 27,-3.0 27,-0.4 25,-0.1 -0.991 23.7 173.8-148.7 136.9 9.4 109.7 67.5 180 188 A S + 0 0 67 -2,-0.3 3,-0.1 25,-0.2 -1,-0.1 0.515 58.2 94.5-120.9 -8.5 13.1 110.5 67.8 181 189 A N - 0 0 74 1,-0.2 23,-0.0 25,-0.1 25,-0.0 -0.744 58.3-162.6 -83.3 113.5 14.6 108.8 64.8 182 190 A P S S+ 0 0 90 0, 0.0 2,-1.6 0, 0.0 -1,-0.2 0.930 70.8 82.4 -64.4 -41.0 14.8 111.5 62.2 183 191 A N + 0 0 124 1,-0.1 -3,-0.1 -3,-0.1 -2,-0.1 -0.454 57.9 103.9 -70.2 89.9 15.2 109.1 59.3 184 192 A A > + 0 0 2 -2,-1.6 4,-2.7 1,-0.0 3,-0.5 -0.251 41.8 179.4-166.2 63.3 11.6 108.1 58.6 185 193 A P H > S+ 0 0 85 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 78.2 46.9 -35.2 -60.4 10.4 110.0 55.5 186 194 A I H > S+ 0 0 68 46,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 116.5 44.5 -57.8 -43.9 6.8 108.6 55.2 187 195 A R H > S+ 0 0 16 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.961 114.4 48.6 -65.5 -49.7 6.1 109.1 58.9 188 196 A N H X S+ 0 0 25 -4,-2.7 4,-1.2 1,-0.3 -2,-0.2 0.880 114.0 47.8 -57.0 -41.4 7.6 112.6 58.9 189 197 A A H X S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.3 0.824 110.4 51.0 -70.3 -35.2 5.6 113.5 55.8 190 198 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.890 105.0 55.6 -73.6 -38.7 2.4 112.1 57.3 191 199 A Y H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.887 109.3 48.5 -60.1 -36.4 2.7 114.1 60.5 192 200 A D H X S+ 0 0 63 -4,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.966 111.7 49.4 -65.3 -51.6 3.0 117.3 58.4 193 201 A A H >< S+ 0 0 33 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.938 118.3 37.5 -53.4 -52.7 -0.0 116.4 56.3 194 202 A L H >< S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 4,-0.4 0.872 112.5 59.2 -69.3 -36.0 -2.2 115.6 59.3 195 203 A N H 3< S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.642 99.7 57.0 -67.4 -17.4 -0.8 118.4 61.4 196 204 A S T << S+ 0 0 92 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.428 111.0 43.0 -92.5 -2.1 -1.9 121.0 58.9 197 205 A I S < S- 0 0 84 -3,-1.5 -2,-0.2 1,-0.4 -1,-0.2 0.314 139.1 -1.5-119.9 0.0 -5.4 119.8 59.2 198 206 A E S S- 0 0 77 -4,-0.4 -1,-0.4 -5,-0.1 -2,-0.1 -0.489 87.7 -99.0 171.8 114.8 -5.2 119.6 63.0 199 207 A P - 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0 0 84 -3,-0.6 4,-1.9 -4,-0.5 3,-1.2 -0.680 65.1-167.3-129.1 79.3 -18.5 111.2 64.9 293 301 A K H 3> S+ 0 0 122 -2,-0.3 4,-3.1 1,-0.3 5,-0.3 0.782 83.1 53.1 -31.1 -56.0 -18.4 110.1 68.5 294 302 A N H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.899 110.2 46.3 -52.7 -48.7 -20.1 106.7 67.9 295 303 A A H <> S+ 0 0 15 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.943 113.3 52.0 -59.5 -48.8 -17.7 105.6 65.2 296 304 A Y H X S+ 0 0 0 -4,-1.9 4,-2.6 -7,-0.4 -2,-0.2 0.934 112.9 42.3 -54.5 -53.3 -14.8 106.8 67.4 297 305 A L H X S+ 0 0 38 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.858 107.4 62.4 -65.7 -33.9 -16.0 104.8 70.4 298 306 A D H < S+ 0 0 104 -4,-2.4 4,-0.4 -5,-0.3 3,-0.3 0.967 111.7 38.1 -51.1 -57.1 -16.9 101.8 68.2 299 307 A M H >< S+ 0 0 7 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.944 112.5 55.2 -57.2 -57.8 -13.2 101.5 67.2 300 308 A L H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.768 114.0 44.7 -50.5 -26.8 -11.7 102.4 70.7 301 309 A Y T 3< S+ 0 0 106 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.490 87.1 111.1 -99.0 -5.9 -13.8 99.5 72.1 302 310 A E S < S- 0 0 64 -3,-2.0 -3,-0.0 -4,-0.4 3,-0.0 -0.293 82.8 -98.9 -64.1 152.1 -13.1 96.9 69.4 303 311 A N - 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