==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-05 2C84 . COMPND 2 MOLECULE: ALPHA-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR D.U.KIM,H.S.CHO . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 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 . 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 . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 2 2 3 1 0 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 25 A S 0 0 106 0, 0.0 2,-0.3 0, 0.0 77,-0.3 0.000 360.0 360.0 360.0 156.6 4.1 -0.4 8.9 2 26 A K E -a 78 0A 108 75,-2.5 77,-3.2 72,-0.1 2,-0.5 -0.768 360.0-134.3 -92.0 146.9 1.6 -3.0 10.3 3 27 A T E -a 79 0A 38 -2,-0.3 2,-0.4 75,-0.2 77,-0.2 -0.905 18.5-166.6 -99.0 127.3 -2.1 -2.9 9.6 4 28 A I E -a 80 0A 0 75,-2.3 77,-3.3 -2,-0.5 2,-0.5 -0.964 10.6-145.6-113.7 130.8 -4.4 -3.4 12.6 5 29 A T E -ab 81 33A 6 27,-2.3 29,-2.8 -2,-0.4 2,-0.5 -0.861 11.4-163.9 -99.0 126.3 -8.1 -4.1 11.9 6 30 A L E -ab 82 34A 0 75,-2.8 77,-2.8 -2,-0.5 2,-0.6 -0.942 5.6-166.3-111.7 130.4 -10.7 -2.8 14.3 7 31 A Y E +ab 83 35A 3 27,-2.7 29,-3.2 -2,-0.5 2,-0.5 -0.915 16.4 174.2-115.8 106.8 -14.2 -4.1 14.3 8 32 A L E + b 0 36A 0 75,-2.8 29,-0.2 -2,-0.6 77,-0.1 -0.938 12.3 138.6-120.2 124.6 -16.5 -1.8 16.3 9 33 A D E - b 0 37A 0 27,-2.5 29,-1.7 -2,-0.5 30,-0.5 -0.792 28.7-172.6-164.1 121.3 -20.2 -2.1 16.6 10 34 A P S S+ 0 0 19 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.574 81.6 48.2 -84.2 -10.0 -22.6 -1.7 19.5 11 35 A A S S- 0 0 8 27,-0.1 28,-0.5 28,-0.0 -2,-0.1 0.221 89.7-108.9-107.9-134.7 -25.6 -3.0 17.5 12 36 A S S > S+ 0 0 31 105,-0.4 4,-2.1 3,-0.1 5,-0.1 0.692 94.4 63.5-137.3 -38.9 -26.0 -6.1 15.4 13 37 A L H > S+ 0 0 6 104,-0.6 4,-1.5 1,-0.2 5,-0.2 0.932 108.6 43.9 -59.5 -55.1 -26.2 -5.5 11.6 14 38 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.944 111.3 55.4 -56.1 -45.6 -22.8 -4.0 11.3 15 39 A A H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.882 103.3 56.5 -50.3 -43.3 -21.3 -6.8 13.5 16 40 A L H X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.889 111.0 43.1 -57.8 -42.6 -22.8 -9.5 11.2 17 41 A N H X S+ 0 0 25 -4,-1.5 4,-2.4 -3,-0.5 3,-0.3 0.893 114.5 48.9 -70.7 -45.3 -20.9 -7.9 8.2 18 42 A Q H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.906 108.5 53.3 -61.7 -43.7 -17.7 -7.5 10.2 19 43 A L H X S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.2 -1,-0.2 0.781 109.1 51.1 -57.1 -33.3 -17.8 -11.1 11.4 20 44 A X H X S+ 0 0 16 -4,-0.9 4,-2.9 -3,-0.3 -2,-0.2 0.882 108.5 50.4 -69.4 -47.9 -18.2 -12.1 7.8 21 45 A D H X S+ 0 0 35 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.932 111.0 49.5 -54.6 -48.7 -15.1 -10.0 6.9 22 46 A F H < S+ 0 0 0 -4,-3.2 3,-0.5 2,-0.2 4,-0.5 0.947 111.9 48.6 -51.8 -52.2 -13.3 -11.7 9.8 23 47 A T H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.909 108.1 53.4 -57.0 -43.1 -14.4 -15.1 8.4 24 48 A Q H 3< S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.810 118.5 36.9 -62.3 -29.7 -13.3 -14.2 4.9 25 49 A N T >< S+ 0 0 79 -4,-1.6 3,-1.7 -3,-0.5 -1,-0.3 0.304 82.1 114.0-102.6 3.3 -9.9 -13.4 6.3 26 50 A N T < + 0 0 23 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.511 57.8 78.3 -62.5 -4.5 -9.7 -16.1 8.9 27 51 A E T 3 S+ 0 0 149 -3,-0.2 2,-0.9 -4,-0.1 -1,-0.3 0.870 79.4 76.2 -68.5 -37.6 -6.8 -17.9 7.2 28 52 A D < - 0 0 54 -3,-1.7 3,-0.5 1,-0.2 -1,-0.1 -0.673 61.7-178.1 -77.1 104.9 -4.4 -15.3 8.6 29 53 A K S S+ 0 0 77 -2,-0.9 22,-3.2 1,-0.2 -1,-0.2 0.505 76.1 44.2 -84.4 -2.5 -4.0 -16.3 12.3 30 54 A T S S+ 0 0 70 20,-0.2 -1,-0.2 2,-0.1 20,-0.1 0.386 71.6 122.3-124.1 4.7 -1.6 -13.5 13.2 31 55 A H S S- 0 0 37 -3,-0.5 -27,-0.1 1,-0.1 2,-0.1 -0.573 74.9-106.2 -71.0 126.5 -3.1 -10.3 11.7 32 56 A P + 0 0 7 0, 0.0 -27,-2.3 0, 0.0 2,-0.4 -0.335 48.3 179.8 -56.7 127.3 -3.7 -7.9 14.6 33 57 A R E -bc 5 53A 4 19,-2.5 21,-3.0 -29,-0.2 2,-0.5 -0.994 19.0-164.8-134.2 139.1 -7.4 -7.7 15.2 34 58 A I E -bc 6 54A 0 -29,-2.8 -27,-2.7 -2,-0.4 2,-0.5 -0.923 11.0-159.4-127.5 110.2 -9.4 -5.7 17.8 35 59 A F E +bc 7 55A 5 19,-3.2 21,-2.6 -2,-0.5 -27,-0.2 -0.758 20.8 167.4 -94.3 126.9 -13.0 -6.7 18.4 36 60 A G E +b 8 0A 0 -29,-3.2 -27,-2.5 -2,-0.5 2,-0.7 -0.577 24.8 144.6-131.6 61.6 -15.4 -4.2 20.0 37 61 A L E > -b 9 0A 19 3,-0.3 3,-0.6 -29,-0.2 -29,-0.1 -0.917 30.3-168.8-110.6 102.5 -18.6 -6.0 19.3 38 62 A S T 3 S+ 0 0 69 -29,-1.7 -1,-0.1 -2,-0.7 -26,-0.1 0.814 85.7 41.4 -61.9 -33.3 -21.1 -5.5 22.1 39 63 A R T 3 S+ 0 0 106 -28,-0.5 2,-0.5 -30,-0.5 -1,-0.2 0.550 107.4 64.6 -97.2 -9.1 -23.6 -8.1 21.0 40 64 A F < - 0 0 24 -3,-0.6 2,-0.7 2,-0.0 -3,-0.3 -0.929 57.6-163.4-124.4 114.0 -21.2 -10.9 19.9 41 65 A K - 0 0 160 -2,-0.5 -3,-0.1 179,-0.1 3,-0.0 -0.817 22.6-135.7 -87.3 114.8 -18.8 -12.9 22.1 42 66 A I - 0 0 2 -2,-0.7 178,-0.1 1,-0.1 5,-0.1 -0.634 33.8-114.2 -65.5 116.0 -16.2 -14.7 20.0 43 67 A P >> - 0 0 24 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.077 16.6-118.4 -54.9 152.0 -16.2 -18.2 21.6 44 68 A D H 3> S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.824 109.3 63.2 -63.1 -36.7 -13.0 -19.3 23.3 45 69 A N H 34 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.817 111.2 39.0 -56.6 -32.6 -12.3 -22.3 21.0 46 70 A I H X4 S+ 0 0 3 -3,-0.7 3,-1.5 2,-0.1 4,-0.4 0.868 112.0 57.6 -83.4 -42.1 -11.9 -19.8 18.1 47 71 A I H >< S+ 0 0 43 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.910 99.6 58.0 -50.9 -51.7 -10.1 -17.2 20.1 48 72 A T T 3< S+ 0 0 116 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.554 98.4 62.3 -61.1 -11.8 -7.3 -19.6 21.1 49 73 A Q T < S+ 0 0 105 -3,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.639 97.5 67.0 -85.6 -15.4 -6.5 -20.3 17.4 50 74 A Y < - 0 0 12 -3,-2.1 2,-0.3 -4,-0.4 3,-0.2 -0.735 65.1-150.7-108.8 152.5 -5.5 -16.6 16.7 51 75 A Q S S+ 0 0 133 -22,-3.2 -18,-0.1 -2,-0.3 3,-0.1 -0.817 79.9 25.6-112.0 160.6 -2.6 -14.5 17.8 52 76 A N S S+ 0 0 65 -2,-0.3 -19,-2.5 1,-0.2 2,-0.5 0.875 84.1 145.8 54.0 41.7 -2.7 -10.6 18.2 53 77 A I E -c 33 0A 26 -3,-0.2 2,-0.3 -21,-0.2 -1,-0.2 -0.957 24.5-179.3-112.8 125.3 -6.4 -10.8 18.8 54 78 A H E -c 34 0A 26 -21,-3.0 -19,-3.2 -2,-0.5 2,-0.4 -0.859 18.4-149.2-128.7 158.8 -7.8 -8.2 21.2 55 79 A F E -c 35 0A 92 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.987 10.7-172.0-130.8 136.6 -11.1 -7.2 22.7 56 80 A V - 0 0 12 -21,-2.6 2,-0.2 -2,-0.4 -19,-0.1 -0.984 21.0-126.4-130.7 139.3 -12.3 -3.8 23.8 57 81 A E - 0 0 121 -2,-0.4 7,-1.8 -21,-0.1 2,-0.4 -0.470 20.1-138.1 -74.8 149.9 -15.5 -2.8 25.7 58 82 A L B +G 63 0B 21 5,-0.2 2,-0.3 -2,-0.2 34,-0.0 -0.930 22.4 176.1-110.3 144.9 -17.8 -0.1 24.3 59 83 A K S S- 0 0 128 3,-2.4 3,-0.2 -2,-0.4 -2,-0.0 -0.948 71.5 -1.6-151.2 123.8 -19.3 2.5 26.5 60 84 A D S S- 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.886 131.4 -58.5 61.3 37.3 -21.5 5.4 25.3 61 85 A N S S+ 0 0 58 1,-0.2 -1,-0.2 31,-0.0 -3,-0.0 0.841 121.2 89.8 62.6 36.5 -21.0 4.1 21.8 62 86 A R S S- 0 0 51 -3,-0.2 -3,-2.4 31,-0.1 30,-0.2 -0.980 83.3 -97.9-152.8 149.5 -17.2 4.4 21.9 63 87 A P B -G 58 0B 4 0, 0.0 -5,-0.2 0, 0.0 -27,-0.0 -0.432 44.0-115.8 -66.0 152.2 -14.4 2.1 22.8 64 88 A T > - 0 0 34 -7,-1.8 3,-2.2 1,-0.1 4,-0.1 -0.303 34.8 -94.9 -78.3 170.1 -13.0 2.7 26.4 65 89 A E T >> S+ 0 0 143 1,-0.3 3,-1.1 2,-0.2 4,-0.8 0.483 113.1 90.2 -69.6 -4.3 -9.4 3.9 27.0 66 90 A A H 3> S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.713 75.2 71.1 -54.7 -22.9 -8.5 0.2 27.3 67 91 A L H <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.847 88.6 58.8 -64.1 -38.7 -8.0 0.6 23.6 68 92 A F H <> S+ 0 0 26 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.885 102.8 52.2 -57.7 -42.3 -4.9 2.7 24.3 69 93 A T H X S+ 0 0 93 -4,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.918 110.1 48.4 -64.1 -43.3 -3.2 -0.2 26.2 70 94 A I H >< S+ 0 0 15 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.968 113.5 46.7 -57.7 -55.9 -3.9 -2.6 23.3 71 95 A L H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.823 100.6 66.0 -58.8 -36.0 -2.5 -0.2 20.7 72 96 A D H 3< S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 89.1 70.0 -59.2 -24.1 0.6 0.6 22.8 73 97 A Q T << S+ 0 0 112 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.575 88.8 67.5 -68.2 -7.8 1.7 -3.1 22.2 74 98 A Y < + 0 0 11 -3,-2.2 -1,-0.2 -4,-0.2 4,-0.1 -0.773 60.6 170.5-117.3 85.4 2.3 -2.2 18.6 75 99 A P + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.553 52.4 84.5 -74.6 -8.7 5.4 0.2 18.8 76 100 A G S S- 0 0 36 1,-0.2 2,-0.3 30,-0.0 -2,-0.1 -0.192 102.1 -67.7 -85.4 179.7 6.0 0.2 15.0 77 101 A N - 0 0 92 30,-0.1 -75,-2.5 -74,-0.0 2,-0.4 -0.568 62.3-164.5 -66.8 125.9 4.3 2.4 12.4 78 102 A I E -ad 2 107A 2 28,-1.7 30,-2.0 -2,-0.3 2,-0.4 -0.961 17.3-156.1-124.1 138.0 0.7 1.2 12.4 79 103 A E E -ad 3 108A 64 -77,-3.2 -75,-2.3 -2,-0.4 2,-0.6 -0.947 21.0-133.4-110.1 128.9 -2.1 1.8 9.9 80 104 A L E -ad 4 109A 1 28,-2.5 30,-1.5 -2,-0.4 31,-1.4 -0.752 14.7-168.6 -95.3 115.5 -5.7 1.5 11.1 81 105 A N E -ad 5 111A 19 -77,-3.3 -75,-2.8 -2,-0.6 2,-0.5 -0.863 25.0-167.6 -97.0 100.6 -8.2 -0.5 9.1 82 106 A I E -ad 6 112A 0 29,-2.3 31,-2.5 -2,-0.9 2,-0.5 -0.822 21.7-168.5-111.9 125.8 -11.5 0.4 10.8 83 107 A H E +ad 7 113A 3 -77,-2.8 -75,-2.8 -2,-0.5 2,-0.2 -0.945 25.3 173.5-107.7 121.3 -15.0 -1.0 10.6 84 108 A L E - d 0 114A 0 29,-3.0 31,-2.1 -2,-0.5 2,-0.6 -0.769 40.7-107.3-126.8 169.3 -17.7 1.1 12.1 85 109 A N E > - d 0 115A 0 -2,-0.2 4,-0.5 29,-0.2 3,-0.5 -0.866 32.9-141.8 -92.7 119.2 -21.5 1.5 12.7 86 110 A I T >4 S+ 0 0 0 29,-3.0 3,-0.8 -2,-0.6 4,-0.3 0.849 97.2 53.0 -51.9 -46.2 -22.5 4.5 10.4 87 111 A A T 34 S+ 0 0 11 28,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.889 122.7 29.2 -61.7 -38.5 -25.0 6.0 12.9 88 112 A H T 3> S+ 0 0 36 -3,-0.5 4,-2.7 1,-0.2 3,-0.4 0.263 84.5 117.0-107.3 17.0 -22.4 6.0 15.7 89 113 A S H 4 S+ 0 0 50 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.852 113.4 59.0 -72.6 -39.9 -18.3 8.6 18.7 92 116 A L H 3< S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.853 111.9 39.5 -63.1 -34.0 -16.9 5.2 17.8 93 117 A I T 3X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.482 90.7 95.7 -91.3 -3.4 -13.8 6.7 16.2 94 118 A R H <> S+ 0 0 98 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.937 87.6 40.8 -53.7 -55.9 -13.4 9.5 18.8 95 119 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.798 112.7 56.3 -67.5 -23.2 -10.8 7.6 21.0 96 120 A I H > S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.888 109.0 46.1 -69.3 -43.0 -9.0 6.3 18.0 97 121 A L H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.5 53.1 -62.6 -43.5 -8.6 9.9 16.8 98 122 A A H X S+ 0 0 41 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.932 111.6 44.7 -56.4 -50.6 -7.5 10.9 20.3 99 123 A Y H >< S+ 0 0 5 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.915 111.2 53.9 -59.3 -47.9 -4.8 8.1 20.3 100 124 A R H >< S+ 0 0 53 -4,-2.7 3,-1.3 1,-0.2 7,-0.2 0.897 103.7 57.6 -53.0 -38.3 -3.8 9.1 16.8 101 125 A F H >< S+ 0 0 139 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.858 104.3 50.0 -61.9 -37.2 -3.3 12.7 18.0 102 126 A K T << S+ 0 0 139 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.509 120.5 37.2 -80.7 0.1 -0.8 11.5 20.7 103 127 A H T <> + 0 0 43 -3,-1.3 4,-2.9 -4,-0.5 -1,-0.3 -0.304 63.8 151.2-150.1 52.4 1.2 9.6 18.1 104 128 A L T <4 S+ 0 0 110 -3,-0.6 -2,-0.1 1,-0.2 -1,-0.1 0.839 76.3 52.3 -56.1 -41.0 1.2 11.5 14.8 105 129 A D T 4 S+ 0 0 143 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.920 123.2 25.5 -65.2 -41.8 4.5 10.0 13.6 106 130 A R T 4 S+ 0 0 30 -3,-0.2 -28,-1.7 -6,-0.1 2,-0.4 0.868 110.6 64.8 -91.9 -42.7 3.5 6.4 14.2 107 131 A V E < +d 78 0A 3 -4,-2.9 2,-0.3 -7,-0.2 -28,-0.2 -0.734 53.5 159.5 -99.4 125.7 -0.3 6.1 13.9 108 132 A S E -d 79 0A 51 -30,-2.0 -28,-2.5 -2,-0.4 2,-0.6 -0.939 39.8-111.2-135.3 161.4 -2.3 6.7 10.7 109 133 A I E -d 80 0A 19 -2,-0.3 -28,-0.1 -30,-0.2 3,-0.1 -0.858 24.7-177.9 -93.5 118.6 -5.8 5.8 9.3 110 134 A Q E - 0 0 53 -30,-1.5 2,-0.3 -2,-0.6 -29,-0.2 0.957 61.5 -41.7 -77.1 -55.5 -5.7 3.4 6.3 111 135 A Q E -d 81 0A 66 -31,-1.4 -29,-2.3 58,-0.1 2,-0.4 -0.983 47.0-122.3-167.9 168.8 -9.4 3.3 5.6 112 136 A L E -de 82 171A 0 58,-1.9 60,-1.9 -2,-0.3 2,-0.5 -0.968 9.5-165.1-126.6 138.8 -13.0 3.1 7.0 113 137 A N E -de 83 172A 23 -31,-2.5 -29,-3.0 -2,-0.4 2,-0.4 -0.991 17.5-166.1-123.2 115.2 -15.7 0.5 6.3 114 138 A L E -de 84 173A 0 58,-2.5 60,-2.6 -2,-0.5 2,-0.3 -0.902 6.2-172.9-115.1 138.7 -19.1 1.7 7.5 115 139 A Y E -de 85 174A 9 -31,-2.1 -29,-3.0 -2,-0.4 -28,-0.3 -0.942 29.6-101.8-130.1 144.0 -22.2 -0.3 7.9 116 140 A D - 0 0 0 58,-1.4 3,-0.1 -2,-0.3 59,-0.0 -0.380 12.3-148.6 -66.5 142.1 -25.8 0.6 8.7 117 141 A D - 0 0 35 1,-0.2 -104,-0.6 -104,-0.1 -105,-0.4 0.833 57.9 -98.2 -67.8 -40.8 -27.1 0.1 12.2 118 142 A G S >> S- 0 0 0 -105,-0.1 3,-0.7 -106,-0.1 4,-0.5 -0.970 76.9 -11.9 156.7-143.7 -30.6 -0.6 10.7 119 143 A S H >> S+ 0 0 23 -2,-0.3 4,-2.3 1,-0.2 3,-0.8 0.794 115.5 79.9 -59.1 -33.2 -33.8 1.4 10.1 120 144 A X H 3> S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.808 88.0 52.3 -43.8 -51.4 -32.4 4.3 12.3 121 145 A E H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.894 113.2 45.9 -51.8 -44.5 -30.2 5.8 9.5 122 146 A Y H < S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.896 103.9 61.8 -64.7 -40.0 -32.4 10.9 6.8 126 150 A E H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.781 97.3 60.0 -53.9 -31.2 -36.1 11.0 6.2 127 151 A K T 3< S+ 0 0 127 -4,-0.8 3,-0.3 -3,-0.3 -1,-0.3 0.577 95.5 61.2 -76.1 -11.8 -36.2 14.0 8.7 128 152 A E T X + 0 0 18 -3,-2.0 3,-1.8 -4,-0.2 -1,-0.3 0.160 68.9 118.0 -97.8 14.3 -33.9 16.0 6.5 129 153 A E T < S+ 0 0 67 -3,-1.0 -1,-0.2 1,-0.3 4,-0.1 0.820 74.4 45.6 -51.0 -36.5 -36.4 15.9 3.7 130 154 A N T 3 S+ 0 0 158 -3,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.400 95.0 98.0 -92.0 4.8 -36.8 19.8 3.7 131 155 A K S < S- 0 0 96 -3,-1.8 2,-1.4 1,-0.1 3,-0.2 -0.393 83.6-104.7 -98.7 163.4 -33.2 20.8 3.9 132 156 A D > - 0 0 105 1,-0.2 4,-2.4 -2,-0.1 3,-0.3 -0.704 36.3-171.7 -82.8 91.8 -30.7 21.9 1.3 133 157 A I H > S+ 0 0 3 -2,-1.4 4,-3.1 53,-0.3 5,-0.2 0.896 81.6 56.2 -51.6 -47.4 -28.6 18.7 1.3 134 158 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 111.8 41.9 -51.3 -49.1 -25.9 20.3 -0.9 135 159 A A H > S+ 0 0 47 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.854 113.0 55.4 -66.5 -35.0 -25.4 23.0 1.7 136 160 A E H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.895 105.1 52.4 -65.5 -40.5 -25.7 20.5 4.5 137 161 A I H X S+ 0 0 10 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.921 109.1 48.8 -62.6 -47.8 -22.9 18.4 3.0 138 162 A K H X S+ 0 0 139 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.893 112.0 47.9 -60.5 -46.8 -20.5 21.3 2.8 139 163 A Q H X S+ 0 0 61 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.939 112.1 51.5 -56.1 -48.1 -21.2 22.3 6.4 140 164 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.912 110.0 47.9 -53.6 -50.3 -20.7 18.7 7.5 141 165 A E H X S+ 0 0 58 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.934 113.3 48.6 -58.3 -48.1 -17.3 18.4 5.6 142 166 A K H X S+ 0 0 151 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.944 113.8 45.5 -59.1 -48.2 -16.1 21.7 7.2 143 167 A Q H X S+ 0 0 23 -4,-2.9 4,-2.0 2,-0.2 11,-0.2 0.865 110.1 54.2 -64.8 -32.0 -17.2 20.6 10.7 144 168 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.921 104.8 56.2 -66.6 -40.1 -15.6 17.2 10.3 145 169 A S H X S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.915 106.1 49.5 -56.7 -46.2 -12.4 19.0 9.4 146 170 A H H X S+ 0 0 97 -4,-1.8 4,-2.8 1,-0.2 6,-0.5 0.911 110.2 51.4 -59.6 -42.5 -12.6 20.9 12.8 147 171 A Y H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.919 109.8 48.0 -58.2 -50.7 -13.1 17.5 14.6 148 172 A L H < S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.825 119.1 41.2 -61.3 -32.5 -10.1 15.9 12.9 149 173 A L H < S+ 0 0 124 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.776 131.5 20.5 -89.6 -32.4 -7.9 18.9 13.8 150 174 A T H < S- 0 0 66 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.617 91.2-125.5-112.6 -17.1 -9.1 19.7 17.3 151 175 A G S < S+ 0 0 42 -4,-2.7 2,-0.4 -5,-0.5 -4,-0.2 0.441 70.9 127.9 80.9 0.6 -10.7 16.5 18.5 152 176 A K - 0 0 138 -6,-0.5 2,-0.5 -5,-0.1 -1,-0.3 -0.763 53.3-141.9 -97.4 138.0 -13.8 18.5 19.3 153 177 A I + 0 0 58 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.862 34.5 149.2-105.3 124.3 -17.2 17.3 18.0 154 178 A K + 0 0 125 -2,-0.5 2,-0.4 -11,-0.2 -7,-0.1 -0.769 12.4 170.8-156.1 103.1 -19.6 20.0 16.8 155 179 A F - 0 0 26 -2,-0.2 -15,-0.1 1,-0.1 4,-0.1 -0.982 26.6-162.3-122.1 121.6 -22.1 19.2 14.0 156 180 A D S S+ 0 0 84 -2,-0.4 -1,-0.1 1,-0.3 -20,-0.0 0.814 100.7 28.1 -61.9 -32.0 -25.0 21.5 12.9 157 181 A N > + 0 0 4 -21,-0.1 4,-2.0 1,-0.1 -1,-0.3 -0.732 68.8 179.9-134.0 83.4 -26.4 18.4 11.2 158 182 A P T 4 S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.765 81.9 56.9 -56.0 -33.1 -25.3 15.2 12.9 159 183 A T T >4 S+ 0 0 15 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.943 110.5 41.2 -59.8 -51.7 -27.3 13.0 10.4 160 184 A I G >4 S+ 0 0 0 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.803 103.4 68.0 -70.5 -32.4 -25.5 14.3 7.3 161 185 A A G >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.712 87.9 68.9 -57.1 -21.4 -22.1 14.3 9.0 162 186 A R G < S+ 0 0 28 -3,-1.0 -1,-0.2 -4,-0.5 3,-0.2 0.667 101.0 48.3 -66.9 -18.5 -22.4 10.5 9.0 163 187 A Y G < S+ 0 0 0 -3,-1.7 3,-0.2 -4,-0.2 -1,-0.2 0.260 92.2 75.2-113.4 10.8 -21.9 10.5 5.2 164 188 A V X + 0 0 0 -3,-1.0 3,-1.2 1,-0.2 -1,-0.2 0.106 49.9 113.5-116.0 24.5 -19.0 12.8 4.7 165 189 A W G >> + 0 0 0 1,-0.2 4,-2.7 -3,-0.2 3,-2.1 0.693 62.5 79.5 -66.7 -20.3 -16.0 10.7 5.7 166 190 A Q G 34 S+ 0 0 48 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.815 82.8 65.8 -48.8 -42.1 -14.8 10.7 2.0 167 191 A S G <4 S+ 0 0 59 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.536 117.9 21.1 -62.7 -9.0 -13.4 14.2 2.7 168 192 A A T <4 S+ 0 0 35 -3,-2.1 -2,-0.2 1,-0.4 -1,-0.2 0.657 125.1 17.3-129.3 -35.3 -10.9 12.7 5.1 169 193 A F S < S- 0 0 19 -4,-2.7 -1,-0.4 -57,-0.0 2,-0.3 -0.919 79.8 -91.2-143.9 159.2 -10.3 9.1 4.5 170 194 A P + 0 0 79 0, 0.0 -58,-1.9 0, 0.0 2,-0.3 -0.631 60.7 177.8 -69.5 132.3 -10.7 6.3 1.9 171 195 A V E -e 112 0A 11 -2,-0.3 2,-0.4 -60,-0.2 -58,-0.2 -0.980 30.5-162.3-143.3 148.6 -14.1 4.9 2.8 172 196 A K E -e 113 0A 58 -60,-1.9 -58,-2.5 -2,-0.3 2,-0.3 -0.974 14.0-156.1-132.9 125.2 -16.6 2.3 1.7 173 197 A Y E -ef 114 198A 0 24,-3.1 26,-2.5 -2,-0.4 2,-0.5 -0.744 2.7-159.8 -96.7 140.6 -20.2 2.4 2.9 174 198 A H E -ef 115 199A 19 -60,-2.6 -58,-1.4 -2,-0.3 2,-0.3 -0.966 18.5-158.2-122.3 109.7 -22.4 -0.7 3.0 175 199 A F E - 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0 0 145 -2,-0.6 2,-0.8 1,-0.1 -102,-0.1 -0.293 29.9 -94.6 -67.8 153.2 -58.9 -5.3 19.4 376 411 A E - 0 0 117 1,-0.0 -1,-0.1 2,-0.0 2,-0.1 -0.471 46.5-150.2 -64.4 100.2 -58.1 -7.5 22.4 377 412 A L 0 0 22 -2,-0.8 -112,-0.1 1,-0.2 -111,-0.1 -0.420 360.0 360.0 -71.7 154.5 -58.8 -11.0 21.2 378 413 A G 0 0 127 -2,-0.1 -1,-0.2 -113,-0.1 -2,-0.0 0.903 360.0 360.0 89.2 360.0 -60.0 -13.7 23.5