==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-SEP-06 2IHK . COMPND 2 MOLECULE: ALPHA-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR A.J.FISHER,L.NI . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 28.7 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 3 1 3 1 2 1 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M 0 0 137 0, 0.0 2,-0.4 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 124.4 11.1 3.0 39.4 2 26 A K E -a 78 0A 101 75,-1.9 77,-2.2 72,-0.1 2,-0.4 -0.995 360.0-140.8-137.2 134.0 10.2 0.9 36.4 3 27 A T E -a 79 0A 31 -2,-0.4 2,-0.4 75,-0.2 77,-0.2 -0.774 13.1-164.8 -91.4 135.4 11.3 1.0 32.7 4 28 A I E -a 80 0A 0 75,-2.0 77,-3.2 -2,-0.4 2,-0.5 -0.984 10.4-147.4-118.9 131.3 8.8 0.3 29.9 5 29 A T E -ab 81 33A 7 27,-2.5 29,-2.6 -2,-0.4 2,-0.5 -0.889 10.1-163.5-101.7 127.4 10.2 -0.4 26.4 6 30 A L E -ab 82 34A 0 75,-2.6 77,-2.7 -2,-0.5 2,-0.6 -0.955 5.7-164.1-113.8 131.4 8.2 0.7 23.4 7 31 A Y E +ab 83 35A 3 27,-3.4 29,-3.7 -2,-0.5 2,-0.5 -0.911 19.4 174.6-114.9 102.3 8.8 -0.7 20.0 8 32 A L E + b 0 36A 0 75,-2.4 77,-0.3 -2,-0.6 29,-0.2 -0.934 13.0 133.7-120.8 128.6 7.2 1.5 17.3 9 33 A D E - b 0 37A 0 27,-2.8 29,-1.8 -2,-0.5 30,-0.4 -0.778 31.7-167.2-169.4 122.8 7.4 1.3 13.5 10 34 A P S S+ 0 0 21 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.550 82.9 49.0 -82.7 -8.0 4.9 1.5 10.7 11 35 A A S S- 0 0 7 27,-0.1 28,-0.5 1,-0.0 -2,-0.1 0.121 89.3-101.6-109.9-141.8 7.5 0.1 8.2 12 36 A S S > S+ 0 0 17 105,-0.4 4,-2.4 3,-0.1 5,-0.1 0.770 97.5 54.2-117.3 -52.6 10.0 -2.8 8.0 13 37 A L H > S+ 0 0 7 104,-0.7 4,-1.9 2,-0.2 5,-0.2 0.904 109.9 45.9 -65.4 -46.4 13.6 -2.0 8.6 14 38 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.945 114.1 50.8 -60.1 -43.4 13.2 -0.4 12.1 15 39 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.879 105.8 55.5 -56.6 -41.4 10.9 -3.3 13.1 16 40 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.934 113.0 41.6 -60.6 -45.0 13.5 -5.8 12.0 17 41 A N H X S+ 0 0 21 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.859 113.9 52.0 -66.2 -39.9 16.2 -4.2 14.2 18 42 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.882 106.0 53.7 -68.6 -38.4 13.7 -3.8 17.1 19 43 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.806 107.0 53.4 -64.2 -28.9 12.7 -7.5 17.0 20 44 A M H X S+ 0 0 15 -4,-1.1 4,-2.6 -5,-0.2 -2,-0.2 0.889 107.2 51.4 -67.6 -40.1 16.4 -8.2 17.2 21 45 A D H X S+ 0 0 36 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.917 110.2 48.5 -61.4 -45.3 16.6 -6.0 20.4 22 46 A F H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.905 110.9 51.4 -59.6 -43.5 13.6 -8.0 21.9 23 47 A T H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.942 108.0 50.6 -61.5 -49.1 15.3 -11.3 21.0 24 48 A Q H 3< S+ 0 0 96 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.848 118.3 40.2 -55.4 -35.4 18.6 -10.2 22.8 25 49 A N T >< S+ 0 0 84 -4,-1.7 3,-1.2 -5,-0.2 -1,-0.3 0.182 83.3 113.7 -98.2 17.3 16.5 -9.2 25.8 26 50 A N T < + 0 0 19 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.623 59.0 71.3 -73.8 -15.0 14.2 -12.3 25.7 27 51 A E T 3 S+ 0 0 154 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.827 80.5 83.0 -65.9 -32.6 15.3 -14.0 28.9 28 52 A D < - 0 0 74 -3,-1.2 3,-0.1 1,-0.2 -1,-0.1 -0.655 60.4-179.8 -76.4 106.7 13.5 -11.2 30.9 29 53 A K S S+ 0 0 70 -2,-0.8 22,-2.9 1,-0.2 -1,-0.2 0.542 71.8 43.2 -89.4 -7.7 9.9 -12.4 30.9 30 54 A T S S+ 0 0 76 20,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.524 73.9 121.9-120.1 -9.9 8.3 -9.6 33.0 31 55 A H S S- 0 0 41 1,-0.1 2,-0.2 -3,-0.1 -27,-0.1 -0.368 72.2-110.1 -58.2 126.0 9.8 -6.4 31.6 32 56 A P + 0 0 4 0, 0.0 -27,-2.5 0, 0.0 2,-0.4 -0.483 44.2 179.2 -66.2 129.2 6.9 -4.2 30.3 33 57 A R E -bc 5 53A 3 19,-2.4 21,-2.6 -2,-0.2 2,-0.5 -0.995 18.9-162.0-134.9 138.0 6.9 -4.0 26.5 34 58 A I E -bc 6 54A 0 -29,-2.6 -27,-3.4 -2,-0.4 2,-0.6 -0.976 11.3-159.5-122.6 113.0 4.6 -2.2 24.1 35 59 A F E +bc 7 55A 5 19,-2.7 21,-2.3 -2,-0.5 -27,-0.2 -0.851 20.5 167.6 -96.7 117.5 4.7 -3.4 20.4 36 60 A G E +b 8 0A 0 -29,-3.7 -27,-2.8 -2,-0.6 2,-0.7 -0.565 24.6 144.9-122.4 66.7 3.4 -1.0 17.7 37 61 A L E > -b 9 0A 18 3,-0.3 3,-1.2 -29,-0.2 -29,-0.1 -0.893 30.6-168.3-109.5 103.0 4.8 -2.8 14.7 38 62 A S T 3 S+ 0 0 69 -29,-1.8 -1,-0.1 -2,-0.7 -26,-0.1 0.799 86.1 42.3 -59.4 -31.7 2.4 -2.5 11.7 39 63 A R T 3 S+ 0 0 65 -28,-0.5 2,-0.4 -30,-0.4 -1,-0.2 0.344 106.9 66.6-103.4 6.2 4.0 -5.1 9.6 40 64 A F < - 0 0 26 -3,-1.2 2,-0.6 2,-0.0 -3,-0.3 -0.989 55.0-163.4-136.4 128.9 4.8 -7.8 12.2 41 65 A K - 0 0 159 -2,-0.4 181,-0.1 179,-0.2 -3,-0.0 -0.957 22.8-135.7-107.3 119.7 2.5 -10.0 14.3 42 66 A I - 0 0 5 -2,-0.6 178,-0.1 1,-0.1 5,-0.1 -0.666 35.2-107.7 -68.8 123.6 4.2 -11.7 17.3 43 67 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-1.9 -0.263 19.3-124.9 -53.8 138.8 3.1 -15.3 17.3 44 68 A D H 3> S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.851 110.1 61.5 -53.9 -39.2 0.6 -16.2 20.1 45 69 A N H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.607 109.2 42.9 -66.8 -14.8 2.9 -19.0 21.3 46 70 A I H X4 S+ 0 0 5 -3,-1.9 3,-1.5 2,-0.1 4,-0.4 0.813 109.5 55.4 -92.0 -44.3 5.5 -16.4 22.0 47 71 A I H >< S+ 0 0 41 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.889 100.4 61.4 -51.5 -45.6 3.1 -13.8 23.6 48 72 A T T 3< S+ 0 0 115 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.648 96.6 60.5 -60.9 -16.7 2.0 -16.5 26.1 49 73 A Q T < S+ 0 0 95 -3,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.625 99.9 68.3 -83.5 -16.7 5.6 -16.7 27.5 50 74 A Y < - 0 0 13 -3,-1.9 2,-0.3 -4,-0.4 3,-0.3 -0.801 62.3-155.2-110.7 143.7 5.6 -13.0 28.5 51 75 A Q S S+ 0 0 121 -22,-2.9 -18,-0.1 -2,-0.3 3,-0.1 -0.768 81.4 28.5-103.0 163.7 3.9 -10.9 31.1 52 76 A N S S+ 0 0 62 -2,-0.3 -19,-2.4 1,-0.2 2,-0.5 0.884 83.9 146.8 54.9 40.6 3.4 -7.2 30.8 53 77 A I E +c 33 0A 25 -3,-0.3 2,-0.3 -21,-0.2 -1,-0.2 -0.945 22.9 178.9-110.4 129.1 3.4 -7.5 27.0 54 78 A H E -c 34 0A 25 -21,-2.6 -19,-2.7 -2,-0.5 2,-0.4 -0.875 19.2-146.5-134.2 158.8 1.1 -5.1 25.1 55 79 A F E -c 35 0A 95 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.984 11.8-175.5-132.6 138.4 0.1 -4.2 21.6 56 80 A V - 0 0 9 -21,-2.3 2,-0.2 -2,-0.4 -19,-0.0 -0.997 20.9-129.1-135.4 136.6 -0.9 -0.8 20.1 57 81 A E - 0 0 148 -2,-0.4 7,-2.0 -21,-0.1 2,-0.4 -0.513 18.3-138.4 -76.6 149.4 -2.1 0.1 16.6 58 82 A L E +G 63 0B 23 5,-0.2 2,-0.4 -2,-0.2 34,-0.0 -0.905 22.3 177.6-104.0 138.0 -0.5 2.9 14.6 59 83 A K E > S-G 62 0B 142 3,-3.0 3,-0.8 -2,-0.4 -2,-0.0 -0.987 72.4 -2.0-140.0 131.0 -2.7 5.3 12.7 60 84 A D T 3 S- 0 0 110 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.892 132.5 -57.3 52.6 41.5 -1.3 8.3 10.7 61 85 A N T 3 S+ 0 0 58 1,-0.2 -1,-0.2 31,-0.0 -3,-0.0 0.763 120.7 90.2 64.4 29.6 2.2 7.3 11.9 62 86 A R E < S-G 59 0B 65 -3,-0.8 -3,-3.0 31,-0.1 -1,-0.2 -0.990 83.5 -98.5-147.4 150.2 1.4 7.5 15.6 63 87 A P E -G 58 0B 5 0, 0.0 -5,-0.2 0, 0.0 -27,-0.0 -0.410 47.8-118.0 -61.1 142.1 0.2 5.1 18.3 64 88 A T > - 0 0 26 -7,-2.0 3,-2.4 1,-0.1 4,-0.2 -0.240 34.7 -87.2 -74.9 171.3 -3.5 5.6 18.9 65 89 A E T >> S+ 0 0 141 1,-0.3 3,-1.5 2,-0.2 4,-0.8 0.653 117.2 84.2 -48.2 -23.9 -5.1 6.7 22.2 66 90 A A H 3> S+ 0 0 45 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.698 76.2 71.5 -55.5 -21.4 -5.1 3.0 23.2 67 91 A L H <> S+ 0 0 0 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.889 91.8 55.9 -59.2 -41.8 -1.5 3.7 24.3 68 92 A F H <> S+ 0 0 43 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.854 102.1 54.7 -64.8 -38.8 -2.8 5.7 27.2 69 93 A T H < S+ 0 0 96 -4,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.892 110.7 47.4 -60.5 -41.0 -4.9 2.8 28.5 70 94 A I H >< S+ 0 0 14 -4,-1.4 3,-1.7 1,-0.2 4,-0.3 0.961 112.5 47.6 -64.5 -51.9 -1.8 0.6 28.6 71 95 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.840 100.8 65.7 -62.1 -34.2 0.4 3.2 30.3 72 96 A D T 3< S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.698 88.6 69.8 -57.3 -22.0 -2.3 3.9 33.0 73 97 A Q T < S+ 0 0 117 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.674 90.8 64.8 -69.6 -18.6 -1.7 0.2 34.1 74 98 A Y < + 0 0 16 -3,-1.9 -1,-0.2 -4,-0.3 4,-0.1 -0.811 64.8 173.6-109.6 88.5 1.7 1.3 35.5 75 99 A P + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.459 51.1 73.9 -81.2 -5.8 0.9 3.9 38.3 76 100 A G S S- 0 0 40 1,-0.2 2,-0.5 30,-0.0 -2,-0.1 -0.052 103.5 -51.8 -90.6-165.5 4.4 4.5 39.6 77 101 A N - 0 0 94 30,-0.1 -75,-1.9 28,-0.0 2,-0.4 -0.634 64.7-170.5 -67.2 120.4 7.4 6.4 38.4 78 102 A I E -ad 2 107A 2 28,-2.5 30,-2.3 -2,-0.5 2,-0.4 -0.950 17.6-160.8-122.8 137.2 8.0 5.1 34.8 79 103 A E E -ad 3 108A 56 -77,-2.2 -75,-2.0 -2,-0.4 2,-0.5 -0.983 20.9-137.0-113.5 127.6 10.9 5.8 32.5 80 104 A L E -ad 4 109A 0 28,-2.8 30,-2.2 -2,-0.4 31,-1.3 -0.762 10.9-162.6 -96.4 122.7 10.3 5.1 28.8 81 105 A N E -ad 5 111A 25 -77,-3.2 -75,-2.6 -2,-0.5 2,-0.5 -0.900 25.8-163.4 -98.1 102.3 12.8 3.3 26.6 82 106 A I E -ad 6 112A 0 29,-2.3 31,-2.7 -2,-0.8 2,-0.5 -0.800 19.5-168.8-108.6 127.2 11.6 4.2 23.2 83 107 A H E +ad 7 113A 1 -77,-2.7 -75,-2.4 -2,-0.5 2,-0.3 -0.955 25.1 172.3-111.2 123.6 12.5 2.6 19.9 84 108 A L E - d 0 114A 0 29,-2.6 31,-2.2 -2,-0.5 2,-0.4 -0.913 41.0-108.2-135.8 157.1 11.4 4.6 16.7 85 109 A N E - d 0 115A 0 -77,-0.3 31,-0.2 -2,-0.3 7,-0.2 -0.698 32.9-141.0 -75.6 126.3 11.5 4.9 13.0 86 110 A I S > S+ 0 0 0 29,-2.6 3,-1.7 -2,-0.4 4,-0.3 0.940 97.0 50.2 -59.3 -51.3 13.7 8.0 12.2 87 111 A A T 3 S+ 0 0 13 1,-0.3 3,-0.2 28,-0.2 -1,-0.2 0.830 122.6 33.3 -57.9 -36.0 11.6 9.4 9.2 88 112 A H T 3> S+ 0 0 40 1,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.208 85.2 114.3-105.5 15.7 8.4 9.2 11.3 89 113 A S H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 5,-0.2 0.842 72.3 54.9 -61.2 -39.1 10.0 10.0 14.8 90 114 A V H > S+ 0 0 20 -4,-0.3 4,-0.6 -3,-0.2 -1,-0.2 0.930 115.8 37.4 -60.7 -49.0 8.2 13.3 15.3 91 115 A Q H >4 S+ 0 0 50 1,-0.2 3,-0.7 -3,-0.2 -2,-0.2 0.906 113.3 56.0 -68.0 -42.1 4.7 11.8 14.8 92 116 A L H 3< S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.825 111.5 43.4 -64.3 -32.3 5.4 8.5 16.6 93 117 A I H 3X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 3,-0.3 0.624 90.5 92.3 -85.5 -13.6 6.5 10.2 19.8 94 118 A R H S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.825 112.5 56.5 -70.2 -27.3 1.2 10.8 21.9 96 120 A I H > S+ 0 0 0 -4,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.922 108.7 46.8 -62.9 -45.7 4.0 9.8 24.2 97 121 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.876 110.1 53.5 -63.5 -38.3 4.8 13.5 24.8 98 122 A A H X S+ 0 0 45 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.920 109.2 48.4 -61.9 -44.3 1.1 14.2 25.3 99 123 A Y H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.930 109.2 53.2 -60.9 -46.1 1.0 11.5 28.0 100 124 A R H >< S+ 0 0 56 -4,-2.5 3,-0.6 1,-0.2 7,-0.3 0.901 104.9 55.1 -57.3 -42.8 4.1 12.9 29.7 101 125 A F H >< S+ 0 0 87 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.897 108.9 48.5 -51.5 -46.5 2.4 16.4 29.9 102 126 A K H 3< S+ 0 0 134 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.714 124.1 30.3 -69.8 -22.5 -0.5 14.9 31.7 103 127 A H T XX S+ 0 0 48 -4,-1.2 4,-2.1 -3,-0.6 3,-1.6 -0.331 71.6 151.7-134.9 49.2 1.7 13.0 34.2 104 128 A L T <4 + 0 0 119 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.713 69.5 56.8 -60.5 -27.2 4.8 15.2 34.5 105 129 A D T 34 S+ 0 0 162 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.656 121.0 23.0 -79.6 -16.9 5.7 14.2 38.0 106 130 A R T <4 S+ 0 0 46 -3,-1.6 -28,-2.5 -6,-0.2 2,-0.5 0.607 106.1 75.8-123.3 -18.2 5.9 10.4 37.3 107 131 A V E < +d 78 0A 6 -4,-2.1 2,-0.3 -7,-0.3 -28,-0.2 -0.872 51.3 164.9-110.4 124.7 6.7 9.9 33.6 108 132 A S E -d 79 0A 50 -30,-2.3 -28,-2.8 -2,-0.5 2,-0.7 -0.924 38.2-117.2-133.3 160.3 10.1 10.5 32.0 109 133 A I E -d 80 0A 16 -2,-0.3 -28,-0.1 -30,-0.2 3,-0.1 -0.876 25.1-175.2 -96.0 118.5 11.9 9.6 28.8 110 134 A Q E - 0 0 50 -30,-2.2 2,-0.3 -2,-0.7 -29,-0.2 0.926 59.3 -39.5 -77.2 -46.9 14.9 7.4 29.5 111 135 A Q E -d 81 0A 63 -31,-1.3 -29,-2.3 58,-0.1 2,-0.4 -0.975 48.7-122.0-174.0 160.9 16.4 7.3 26.0 112 136 A L E -de 82 171A 0 58,-2.3 60,-1.6 -2,-0.3 2,-0.5 -0.960 10.5-167.4-120.2 137.2 15.7 7.0 22.3 113 137 A N E -de 83 172A 21 -31,-2.7 -29,-2.6 -2,-0.4 2,-0.4 -0.994 19.1-168.3-116.8 122.2 16.9 4.3 19.9 114 138 A L E -de 84 173A 0 58,-2.9 60,-2.5 -2,-0.5 2,-0.4 -0.893 7.7-173.3-121.2 141.3 16.2 5.4 16.3 115 139 A Y E -de 85 174A 7 -31,-2.2 -29,-2.6 -2,-0.4 -28,-0.2 -0.992 32.5 -98.7-135.2 138.3 16.4 3.4 13.1 116 140 A D - 0 0 0 58,-1.7 3,-0.1 -2,-0.4 -31,-0.0 -0.311 13.9-145.2 -56.0 131.1 16.1 4.3 9.4 117 141 A D - 0 0 34 1,-0.2 -104,-0.7 -104,-0.1 -105,-0.4 0.907 61.2-106.5 -49.8 -50.0 12.8 3.7 7.7 118 142 A G S >> S- 0 0 0 -105,-0.1 3,-0.7 -106,-0.1 4,-0.6 -0.957 76.8 -1.6 157.8-129.5 15.1 3.0 4.7 119 143 A S H >> S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 3,-0.5 0.757 114.4 76.2 -63.0 -27.3 15.9 4.8 1.5 120 144 A M H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 90.1 54.5 -55.5 -42.9 13.6 7.7 2.3 121 145 A E H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.892 113.0 44.2 -55.3 -40.3 15.9 9.3 4.9 122 146 A Y H < S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.909 104.2 60.7 -61.2 -39.2 18.9 14.3 3.0 126 150 A E H >< S+ 0 0 8 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.840 97.9 59.0 -58.5 -33.3 20.1 14.5 -0.7 127 151 A K T 3< S+ 0 0 123 -4,-1.2 3,-0.4 -3,-0.4 -1,-0.3 0.591 95.4 64.1 -72.0 -12.2 17.5 17.3 -1.3 128 152 A E T X + 0 0 16 -3,-2.1 3,-2.0 -4,-0.3 -1,-0.3 0.322 68.5 118.3 -91.2 7.1 19.2 19.4 1.5 129 153 A E T < S+ 0 0 84 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.699 73.3 42.4 -50.2 -33.6 22.4 19.6 -0.6 130 154 A N T 3 S+ 0 0 158 -3,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.439 94.6 100.4 -98.3 3.1 22.5 23.4 -1.1 131 155 A K S < S- 0 0 91 -3,-2.0 2,-1.3 1,-0.1 3,-0.1 -0.408 83.9-105.5 -89.7 159.4 21.5 24.5 2.5 132 156 A D > - 0 0 103 1,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.725 37.8-170.2 -79.8 94.3 23.7 25.7 5.4 133 157 A I H > S+ 0 0 4 -2,-1.3 4,-2.4 53,-0.3 -1,-0.2 0.863 81.0 55.7 -60.1 -40.1 23.4 22.5 7.4 134 158 A S H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.939 111.5 44.0 -58.1 -47.3 25.0 24.0 10.5 135 159 A A H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.880 110.9 55.1 -64.2 -40.8 22.3 26.7 10.5 136 160 A E H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.902 106.5 51.6 -58.4 -41.1 19.6 24.2 9.8 137 161 A I H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 109.2 49.2 -63.5 -47.2 20.6 22.1 12.8 138 162 A K H X S+ 0 0 129 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.892 113.3 46.6 -60.2 -43.8 20.5 25.1 15.2 139 163 A Q H X S+ 0 0 66 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.874 111.4 51.7 -64.5 -39.8 17.0 26.1 14.0 140 164 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.899 107.4 52.8 -66.7 -39.5 15.8 22.5 14.3 141 165 A E H X S+ 0 0 61 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.910 110.2 48.6 -58.8 -44.0 17.0 22.3 17.9 142 166 A K H X S+ 0 0 135 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.905 113.5 46.1 -61.0 -46.9 15.1 25.5 18.7 143 167 A Q H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 11,-0.2 0.821 109.2 54.5 -70.6 -32.0 11.9 24.2 17.1 144 168 A L H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.924 106.0 53.8 -62.3 -44.0 12.3 20.8 18.8 145 169 A S H X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 106.8 50.6 -56.4 -41.8 12.4 22.8 22.1 146 170 A H H X S+ 0 0 98 -4,-1.6 4,-2.3 2,-0.2 6,-0.5 0.902 111.0 49.8 -61.7 -40.2 9.1 24.5 21.2 147 171 A Y H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.927 112.1 47.0 -62.0 -47.1 7.6 21.0 20.4 148 172 A L H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.855 118.1 41.6 -66.6 -35.1 8.8 19.6 23.8 149 173 A L H < S+ 0 0 131 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.804 132.4 20.0 -81.7 -30.7 7.6 22.7 25.7 150 174 A T H < S- 0 0 60 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.587 90.6-125.6-114.8 -16.7 4.2 23.1 24.0 151 175 A G S < S+ 0 0 23 -4,-2.7 2,-0.4 -5,-0.3 -4,-0.2 0.474 70.6 127.2 74.9 4.2 3.4 19.8 22.2 152 176 A K - 0 0 147 -6,-0.5 2,-0.6 -5,-0.1 -1,-0.3 -0.805 52.8-142.0 -99.4 136.4 3.0 21.7 18.9 153 177 A I + 0 0 60 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.845 36.4 144.9-102.8 118.4 4.9 20.7 15.8 154 178 A K + 0 0 135 -2,-0.6 2,-0.5 -11,-0.2 -8,-0.1 -0.760 16.3 171.9-152.4 99.2 6.2 23.4 13.5 155 179 A F - 0 0 26 -2,-0.2 -15,-0.1 1,-0.1 4,-0.1 -0.962 27.0-160.7-113.6 123.6 9.5 22.6 11.8 156 180 A D S S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.838 99.0 31.1 -62.4 -33.0 11.1 24.8 9.0 157 181 A N > + 0 0 7 -21,-0.1 4,-2.1 1,-0.1 -1,-0.3 -0.769 67.1 178.7-130.4 83.7 13.2 21.7 8.1 158 182 A P H > S+ 0 0 79 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.793 82.6 55.5 -53.6 -32.7 11.3 18.5 8.8 159 183 A T H >4 S+ 0 0 15 2,-0.2 3,-1.2 1,-0.2 4,-0.2 0.970 110.7 39.5 -66.5 -55.8 14.3 16.5 7.4 160 184 A I H >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.818 104.9 70.6 -65.6 -31.1 17.0 17.9 9.6 161 185 A A H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.749 85.0 68.6 -56.5 -27.7 14.6 17.8 12.6 162 186 A R T << S+ 0 0 27 -3,-1.2 -1,-0.3 -4,-0.6 3,-0.2 0.656 101.3 48.7 -62.1 -17.5 14.8 14.0 12.5 163 187 A Y T < S+ 0 0 0 -3,-2.1 3,-0.3 -4,-0.2 -1,-0.2 0.291 89.8 75.0-114.0 7.4 18.4 14.3 13.7 164 188 A V X + 0 0 0 -3,-1.1 3,-2.0 1,-0.2 4,-0.2 0.244 53.5 112.7-110.6 15.4 18.4 16.7 16.7 165 189 A W G >> + 0 0 1 1,-0.3 4,-2.3 -3,-0.2 3,-2.0 0.761 65.5 72.4 -54.4 -28.5 16.9 14.5 19.4 166 190 A Q G 34 S+ 0 0 51 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.718 82.6 71.1 -63.0 -20.1 20.3 14.5 21.3 167 191 A S G <4 S+ 0 0 57 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.714 117.8 18.0 -66.5 -17.1 19.5 18.1 22.2 168 192 A A T <4 S+ 0 0 42 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.650 127.5 25.5-123.8 -32.1 16.8 16.8 24.6 169 193 A F S < S- 0 0 14 -4,-2.3 -1,-0.3 -57,-0.0 2,-0.2 -0.949 80.9 -94.2-139.7 154.5 17.4 13.0 25.3 170 194 A P + 0 0 86 0, 0.0 -58,-2.3 0, 0.0 2,-0.3 -0.567 60.1 178.3 -63.8 132.9 20.1 10.3 25.4 171 195 A V E -e 112 0A 15 -2,-0.2 2,-0.4 -60,-0.2 -58,-0.2 -0.979 31.0-163.4-142.7 150.6 19.9 8.8 21.9 172 196 A K E -e 113 0A 61 -60,-1.6 -58,-2.9 -2,-0.3 2,-0.4 -0.978 14.9-153.8-134.3 128.3 21.5 6.2 19.6 173 197 A Y E -ef 114 198A 0 24,-2.7 26,-1.9 -2,-0.4 2,-0.5 -0.815 1.6-159.6 -98.5 140.1 20.9 6.3 15.8 174 198 A H E -ef 115 199A 20 -60,-2.5 -58,-1.7 -2,-0.4 2,-0.4 -0.961 19.0-161.1-120.5 105.7 21.2 3.0 13.8 175 199 A F E - f 0 200A 0 24,-2.7 26,-2.4 -2,-0.5 3,-0.3 -0.716 27.4-147.3-100.1 136.3 21.8 3.9 10.1 176 200 A L S S+ 0 0 7 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.870 100.3 25.8 -56.2 -41.2 21.3 1.9 7.0 177 201 A S > + 0 0 11 1,-0.1 4,-0.5 2,-0.1 -1,-0.3 -0.901 53.5 168.4-130.8 108.2 24.3 3.7 5.5 178 202 A T H > S+ 0 0 24 -2,-0.4 4,-0.7 -3,-0.3 3,-0.4 0.768 83.6 67.9 -78.4 -27.2 27.0 5.3 7.7 179 203 A D H >> S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 3,-0.8 0.848 90.1 62.0 -55.4 -38.2 29.0 5.7 4.5 180 204 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 99.4 54.1 -57.3 -43.1 26.4 8.3 3.3 181 205 A F H 3< S+ 0 0 2 -4,-0.5 10,-0.2 -3,-0.4 -1,-0.2 0.712 115.7 39.7 -68.2 -20.1 27.3 10.6 6.2 182 206 A E H << S+ 0 0 98 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.765 117.6 46.7 -92.0 -35.1 31.0 10.5 5.3 183 207 A K H < S+ 0 0 99 -4,-2.6 2,-1.2 -5,-0.1 -2,-0.2 0.837 95.4 75.2 -82.0 -34.3 30.6 10.6 1.5 184 208 A A >< - 0 0 0 -4,-2.7 3,-1.7 -5,-0.2 4,-0.2 -0.679 66.4-168.8 -80.4 96.7 28.1 13.5 1.3 185 209 A E G > S+ 0 0 151 -2,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.841 80.6 63.4 -63.2 -34.4 30.5 16.4 2.1 186 210 A F G 3 S+ 0 0 38 1,-0.3 -53,-0.3 2,-0.1 -1,-0.3 0.720 99.1 57.0 -58.8 -21.3 27.6 18.9 2.6 187 211 A L G X> S+ 0 0 0 -3,-1.7 4,-2.6 1,-0.2 3,-0.9 0.378 71.9 108.3 -92.7 4.8 26.5 16.8 5.6 188 212 A Q H <> S+ 0 0 107 -3,-1.9 4,-2.7 1,-0.3 5,-0.2 0.881 76.3 54.0 -49.9 -45.7 29.8 17.1 7.4 189 213 A P H 3> S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.857 110.7 47.2 -57.6 -35.4 28.3 19.5 10.0 190 214 A L H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.914 111.1 49.5 -70.3 -48.0 25.6 16.8 10.7 191 215 A K H X S+ 0 0 67 -4,-2.6 4,-1.0 -10,-0.2 -1,-0.2 0.928 114.0 47.3 -51.6 -47.8 28.1 14.0 11.0 192 216 A E H < S+ 0 0 144 -4,-2.7 3,-0.4 -5,-0.3 -2,-0.2 0.916 112.5 49.3 -61.5 -44.0 30.2 16.1 13.3 193 217 A Y H < S+ 0 0 43 -4,-1.9 -2,-0.2 1,-0.2 3,-0.2 0.926 106.2 54.4 -61.8 -47.9 27.1 17.0 15.4 194 218 A L H >< S+ 0 0 0 -4,-2.9 3,-2.8 1,-0.2 -1,-0.2 0.732 83.0 161.8 -63.6 -22.0 25.9 13.4 15.7 195 219 A A T 3< - 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