==== 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 25-JUN-07 2Z4T . COMPND 2 MOLECULE: BETA-GALACTOSIDE ALPHA-2,6-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTOBACTERIUM SP.; . AUTHOR Y.KAKUTA,N.OKINO,H.KAJIWARA,M.ICHIKAWA,Y.TAKAKURA,M.ITO,T.YA . 493 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 4 0 1 2 3 0 1 1 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 3 1 2 0 1 0 1 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 1 0 0 0 1 0 1 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 1 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 22 A T 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.2 -22.5 -67.8 -20.0 2 23 A Q + 0 0 143 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.051 360.0 116.2-114.2 98.5 -19.8 -66.6 -19.1 3 24 A S + 0 0 101 2,-0.1 2,-0.4 80,-0.0 79,-0.3 -0.026 52.1 131.5 -91.0 23.3 -17.5 -69.2 -17.5 4 25 A I - 0 0 37 77,-0.1 2,-0.7 79,-0.1 79,-0.2 -0.660 63.3-124.4 -79.3 130.4 -15.3 -68.4 -20.4 5 26 A I E -a 83 0A 48 77,-2.8 79,-2.5 -2,-0.4 2,-0.2 -0.690 31.6-157.7 -86.0 115.3 -11.7 -67.7 -19.3 6 27 A K E +a 84 0A 124 -2,-0.7 2,-0.3 77,-0.2 79,-0.2 -0.626 17.8 170.1 -98.6 150.2 -10.6 -64.3 -20.6 7 28 A N E -a 85 0A 48 77,-1.0 79,-1.9 -2,-0.2 2,-0.4 -0.973 14.5-156.8-153.0 154.0 -7.2 -62.9 -21.2 8 29 A D E -a 86 0A 122 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.989 6.0-171.9-140.5 124.8 -5.9 -59.7 -22.8 9 30 A I E -a 87 0A 32 77,-2.4 79,-2.8 -2,-0.4 2,-0.4 -0.982 3.2-177.2-121.1 131.9 -2.4 -59.1 -24.3 10 31 A N E +a 88 0A 106 -2,-0.4 2,-0.3 77,-0.2 79,-0.2 -0.991 11.1 168.1-127.5 131.9 -1.2 -55.8 -25.5 11 32 A K E -a 89 0A 66 77,-2.5 79,-3.6 -2,-0.4 2,-0.3 -0.982 27.7-137.9-143.4 155.3 2.3 -55.2 -27.1 12 33 A T E +a 90 0A 51 -2,-0.3 2,-0.2 77,-0.2 79,-0.2 -0.967 30.7 165.3-134.5 146.1 4.3 -52.7 -29.0 13 34 A I E -a 91 0A 1 77,-0.9 79,-2.8 -2,-0.3 2,-0.3 -0.748 28.3-123.5 139.4 111.1 6.3 -53.7 -31.8 14 35 A I E > -a 92 0A 29 77,-0.2 3,-2.3 -2,-0.2 46,-0.3 -0.723 50.1 -66.1-104.4 161.0 8.1 -52.2 -34.7 15 36 A D T 3 S+ 0 0 4 77,-1.0 47,-0.2 1,-0.3 -1,-0.1 -0.137 120.8 7.6 -45.0 130.5 7.8 -52.8 -38.4 16 37 A E T 3 S+ 0 0 90 44,-0.7 -1,-0.3 45,-0.7 2,-0.2 0.455 90.2 148.3 74.8 2.7 8.9 -56.3 -39.4 17 38 A E < - 0 0 61 -3,-2.3 43,-3.1 44,-0.2 2,-0.3 -0.511 46.0-129.2 -70.0 134.8 9.3 -57.4 -35.8 18 39 A Y E -D 59 0B 135 41,-0.2 2,-0.4 -2,-0.2 41,-0.2 -0.671 26.0-167.6 -81.3 137.8 8.6 -61.1 -35.3 19 40 A V E -D 58 0B 3 39,-2.5 39,-2.1 -2,-0.3 2,-0.4 -0.998 15.9-179.5-131.6 133.6 6.2 -61.9 -32.5 20 41 A N E +D 57 0B 72 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.923 16.9 177.1-131.4 112.4 5.4 -65.2 -30.8 21 42 A L E -D 56 0B 29 35,-2.2 35,-3.3 -2,-0.4 -2,-0.0 -0.945 27.6-137.7-124.0 131.9 2.7 -65.0 -28.1 22 43 A E - 0 0 108 -2,-0.4 33,-0.1 33,-0.2 -2,-0.0 -0.696 13.1-153.9 -80.3 130.7 1.1 -67.6 -25.9 23 44 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.758 71.7 41.9 -75.5 -24.0 -2.7 -66.9 -25.6 24 45 A I - 0 0 15 61,-0.1 3,-0.1 59,-0.0 -17,-0.0 -0.787 54.0-157.4-128.2 154.3 -3.2 -68.6 -22.3 25 46 A N + 0 0 141 -2,-0.3 -1,-0.0 1,-0.1 3,-0.0 0.081 64.5 104.1-118.3 28.4 -1.5 -68.9 -18.9 26 47 A Q S S- 0 0 87 1,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.435 80.1-124.3 -98.6 -1.9 -3.0 -72.2 -17.5 27 48 A S S S- 0 0 113 -3,-0.1 2,-0.2 2,-0.1 -3,-0.0 -0.851 76.5 -2.6 147.9 -93.7 0.1 -74.4 -18.2 28 49 A N S S+ 0 0 139 -2,-0.3 2,-0.2 -3,-0.0 -3,-0.0 -0.206 73.4 156.2 -44.5 149.7 -0.6 -77.1 -20.1 29 50 A I - 0 0 49 -2,-0.2 2,-0.4 -5,-0.0 -2,-0.1 -0.315 35.5-134.4 78.5 110.0 -3.6 -77.1 -20.7 30 51 A S - 0 0 70 -2,-0.2 48,-2.2 -3,-0.0 2,-0.4 -0.994 13.5-139.5-135.8 128.7 -4.5 -79.0 -23.9 31 52 A F E -B 77 0A 35 -2,-0.4 46,-0.3 46,-0.3 3,-0.1 -0.721 19.1-175.8-101.9 134.6 -6.8 -77.8 -26.7 32 53 A T E S+ 0 0 103 44,-3.1 2,-0.4 -2,-0.4 -1,-0.1 0.931 81.5 6.8 -80.6 -57.3 -9.4 -79.7 -28.8 33 54 A K E S+B 76 0A 151 43,-0.8 43,-1.7 44,-0.1 -1,-0.4 -0.864 72.3 168.7-106.4 152.1 -10.4 -76.9 -31.2 34 55 A H E -B 75 0A 45 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.934 14.1-162.5-135.8-168.4 -9.0 -73.6 -31.5 35 56 A S E -B 74 0A 48 39,-2.5 39,-2.7 -2,-0.2 2,-0.4 -0.994 6.4-163.3-147.7 139.2 -9.1 -70.6 -33.8 36 57 A W E -B 73 0A 4 -2,-0.3 2,-0.4 37,-0.2 37,-0.2 -0.986 19.7-178.5-115.7 135.4 -6.9 -67.5 -34.4 37 58 A V E -B 72 0A 73 35,-1.3 35,-2.7 -2,-0.4 2,-0.5 -0.984 29.6-129.8-140.6 126.0 -8.5 -64.6 -36.3 38 59 A Q E +B 71 0A 26 -2,-0.4 33,-0.3 33,-0.2 3,-0.1 -0.645 31.4 175.7 -73.4 129.6 -7.2 -61.2 -37.4 39 60 A T E + 0 0 72 31,-3.0 2,-0.3 -2,-0.5 32,-0.2 0.565 56.8 10.3-123.9 -17.4 -9.8 -58.9 -36.1 40 61 A a E S+B 70 0A 44 30,-1.2 30,-2.0 0, 0.0 -1,-0.4 -0.969 81.7 81.5-157.7 161.7 -8.5 -55.4 -37.0 41 62 A G - 0 0 28 -2,-0.3 28,-0.1 28,-0.2 4,-0.1 -0.065 64.3-115.1 113.7 143.9 -5.6 -54.0 -39.0 42 63 A T S S+ 0 0 109 26,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.962 91.8 64.6 -82.8 -50.0 -5.4 -53.3 -42.7 43 64 A Q S S- 0 0 89 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.514 87.6-118.9 -73.0 139.7 -2.6 -55.6 -43.9 44 65 A Q + 0 0 146 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.696 38.2 169.1 -81.2 121.2 -3.3 -59.4 -43.6 45 66 A L + 0 0 17 -2,-0.5 2,-0.8 1,-0.1 14,-0.3 0.617 47.5 89.6-111.0 -17.5 -0.8 -61.0 -41.3 46 67 A L - 0 0 12 1,-0.1 2,-0.4 12,-0.1 -8,-0.1 -0.754 54.8-168.5 -92.9 107.7 -2.2 -64.5 -40.6 47 68 A T - 0 0 103 -2,-0.8 2,-1.7 1,-0.1 -1,-0.1 -0.100 40.7-106.1 -97.6 36.7 -0.8 -66.8 -43.3 48 69 A E S S+ 0 0 153 -2,-0.4 4,-0.3 1,-0.2 -1,-0.1 -0.186 118.8 55.7 75.1 -46.3 -3.0 -70.1 -42.8 49 70 A Q S S+ 0 0 152 -2,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.630 100.8 63.9 -87.4 -16.1 -0.3 -72.3 -41.2 50 71 A N S > S+ 0 0 32 1,-0.2 3,-2.0 2,-0.2 7,-0.1 0.979 97.4 54.7 -54.4 -61.1 -0.0 -69.4 -38.6 51 72 A K T 3 S+ 0 0 63 1,-0.3 -1,-0.2 -15,-0.1 -2,-0.2 0.688 98.1 66.3 -47.9 -25.8 -3.6 -70.1 -37.6 52 73 A E T 3 S+ 0 0 110 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.509 87.0 72.9 -87.2 -5.7 -2.8 -73.8 -36.9 53 74 A S S < S- 0 0 47 -3,-2.0 4,-0.1 -4,-0.2 -19,-0.0 -0.789 78.2-132.5-104.0 153.5 -0.5 -73.4 -33.9 54 75 A I S S+ 0 0 59 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.885 90.3 69.2 -78.1 -35.8 -1.8 -72.4 -30.5 55 76 A S S S- 0 0 18 -33,-0.1 2,-0.5 -32,-0.1 -33,-0.2 -0.587 95.1-112.3 -77.6 145.2 0.8 -69.7 -29.9 56 77 A L E -D 21 0B 2 -35,-3.3 -35,-2.2 -2,-0.2 2,-0.5 -0.677 33.8-174.3 -83.5 120.0 0.4 -66.6 -32.2 57 78 A S E +D 20 0B 20 -2,-0.5 2,-0.3 -37,-0.2 -37,-0.2 -0.958 18.6 143.9-120.0 116.4 3.2 -66.2 -34.7 58 79 A V E -D 19 0B 4 -39,-2.1 -39,-2.5 -2,-0.5 2,-0.5 -0.993 41.0-134.5-148.1 154.6 3.3 -63.0 -36.9 59 80 A V E -D 18 0B 82 -14,-0.3 -41,-0.2 -2,-0.3 -42,-0.1 -0.936 34.1-118.4-108.3 128.4 5.6 -60.6 -38.5 60 81 A A - 0 0 4 -43,-3.1 -44,-0.7 -2,-0.5 -46,-0.1 -0.405 37.7-115.2 -62.5 145.0 4.7 -56.9 -38.1 61 82 A P - 0 0 9 0, 0.0 -45,-0.7 0, 0.0 2,-0.5 -0.189 23.3 -99.9 -78.7 171.9 4.1 -55.3 -41.5 62 83 A R - 0 0 153 -47,-0.2 2,-0.3 -46,-0.1 31,-0.0 -0.844 54.9-177.4 -87.0 127.9 6.1 -52.6 -43.3 63 84 A L - 0 0 11 -2,-0.5 3,-0.1 1,-0.1 -48,-0.1 -0.820 43.5-152.2-129.6 164.3 4.1 -49.4 -42.7 64 85 A D S S+ 0 0 133 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.638 93.1 24.5 -98.4 -27.2 4.0 -45.7 -43.5 65 86 A D S S- 0 0 127 27,-0.0 -1,-0.3 26,-0.0 26,-0.1 -0.998 95.9 -91.9-143.4 136.8 2.1 -44.8 -40.4 66 87 A D + 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 26,-0.2 -0.098 51.0 179.9 -45.5 143.5 1.8 -46.5 -37.0 67 88 A E E - C 0 91A 47 24,-1.8 24,-2.0 22,-0.0 2,-0.3 -0.980 26.8-125.6-157.1 138.1 -1.2 -48.8 -36.8 68 89 A K E - C 0 90A 131 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.670 21.8-163.4 -85.7 137.6 -2.9 -51.2 -34.4 69 90 A Y E - C 0 89A 0 20,-2.8 20,-3.2 -2,-0.3 2,-0.4 -0.972 5.8-154.7-120.8 138.2 -3.5 -54.9 -35.3 70 91 A a E -BC 40 88A 25 -30,-2.0 -31,-3.0 -2,-0.4 -30,-1.2 -0.924 11.7-178.4-119.6 142.2 -5.9 -57.2 -33.5 71 92 A F E -BC 38 87A 0 16,-2.1 16,-2.8 -2,-0.4 2,-0.6 -0.998 11.3-155.8-138.3 128.4 -6.0 -61.0 -33.1 72 93 A D E -BC 37 86A 31 -35,-2.7 -35,-1.3 -2,-0.4 2,-0.4 -0.931 7.0-160.4-110.1 120.3 -8.6 -63.0 -31.3 73 94 A F E -BC 36 85A 0 12,-3.0 12,-2.5 -2,-0.6 2,-0.4 -0.828 8.8-177.0 -95.4 132.6 -7.8 -66.5 -29.9 74 95 A N E +BC 35 84A 66 -39,-2.7 -39,-2.5 -2,-0.4 2,-0.3 -0.998 8.9 169.6-124.4 136.6 -10.6 -68.9 -29.1 75 96 A G E -BC 34 83A 4 8,-2.3 8,-3.1 -2,-0.4 2,-0.5 -0.992 27.5-155.4-142.9 152.3 -10.0 -72.4 -27.6 76 97 A V E -BC 33 82A 47 -43,-1.7 -44,-3.1 -2,-0.3 -43,-0.8 -0.988 26.4-143.6-119.6 119.4 -11.8 -75.3 -26.0 77 98 A S E > -B 31 0A 2 4,-2.7 3,-0.7 -2,-0.5 -46,-0.3 -0.118 30.1-104.2 -70.1 173.7 -9.6 -77.4 -23.7 78 99 A N T 3 S+ 0 0 102 -48,-2.2 -1,-0.1 1,-0.2 -47,-0.1 0.561 124.1 60.5 -70.9 -2.5 -9.9 -81.2 -23.5 79 100 A K T 3 S- 0 0 163 -49,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.270 121.5-119.4 -94.8 0.1 -11.6 -80.4 -20.1 80 101 A G < + 0 0 56 -3,-0.7 2,-0.2 1,-0.2 -2,-0.1 0.176 62.5 149.5 -99.1 92.5 -13.6 -78.9 -22.2 81 102 A E - 0 0 84 1,-0.0 -4,-2.7 -77,-0.0 2,-0.4 -0.529 42.5-120.1 -85.3 152.6 -13.3 -75.4 -20.9 82 103 A K E - C 0 76A 121 -79,-0.3 -77,-2.8 -6,-0.2 2,-0.4 -0.784 27.5-173.0 -98.1 135.4 -13.7 -72.2 -23.1 83 104 A Y E +aC 5 75A 11 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.4 -0.967 7.6 179.5-125.7 144.8 -10.9 -69.7 -23.5 84 105 A I E -aC 6 74A 33 -79,-2.5 -77,-1.0 -2,-0.4 2,-0.4 -0.992 2.5-179.8-139.1 131.0 -10.9 -66.4 -25.3 85 106 A T E -aC 7 73A 0 -12,-2.5 -12,-3.0 -2,-0.4 2,-0.5 -0.972 14.9-151.8-136.5 128.6 -8.0 -64.0 -25.5 86 107 A K E -aC 8 72A 87 -79,-1.9 -77,-2.4 -2,-0.4 2,-0.4 -0.846 15.3-164.1 -95.2 124.1 -7.9 -60.6 -27.2 87 108 A V E -aC 9 71A 1 -16,-2.8 -16,-2.1 -2,-0.5 2,-0.5 -0.925 5.5-168.9-114.8 130.7 -4.4 -59.5 -28.5 88 109 A T E -aC 10 70A 37 -79,-2.8 -77,-2.5 -2,-0.4 2,-0.6 -0.979 2.1-167.1-120.5 123.7 -3.5 -56.0 -29.6 89 110 A L E -aC 11 69A 2 -20,-3.2 -20,-2.8 -2,-0.5 2,-0.9 -0.951 7.5-157.7-110.1 114.1 -0.3 -55.2 -31.4 90 111 A N E -aC 12 68A 24 -79,-3.6 -77,-0.9 -2,-0.6 2,-0.6 -0.850 14.0-159.1 -85.6 106.1 0.7 -51.5 -31.6 91 112 A V E +aC 13 67A 2 -24,-2.0 -24,-1.8 -2,-0.9 2,-0.3 -0.821 17.9 173.9 -91.1 122.2 3.0 -51.4 -34.6 92 113 A V E -a 14 0A 31 -79,-2.8 -77,-1.0 -2,-0.6 3,-0.1 -0.889 38.4 -83.1-129.1 154.8 5.2 -48.3 -34.5 93 114 A A - 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h 0 209C 0 -80,-1.4 30,-0.2 -2,-0.3 7,-0.2 -0.396 46.5-133.9 -37.9 125.8 27.3 -31.7 -26.2 181 202 A T S > S+ 0 0 0 28,-2.2 3,-2.4 1,-0.2 4,-0.2 0.975 99.0 47.6 -65.4 -58.9 26.6 -28.2 -27.6 182 203 A A T 3 S+ 0 0 26 1,-0.3 3,-0.2 27,-0.1 -1,-0.2 0.782 121.7 39.7 -52.9 -32.1 30.1 -26.8 -28.0 183 204 A H T 3> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.1 -1,-0.3 0.109 83.6 110.7-104.8 16.6 31.1 -30.1 -29.7 184 205 A S H <> S+ 0 0 0 -3,-2.4 4,-3.0 2,-0.2 5,-0.5 0.738 71.0 59.1 -51.2 -33.0 27.9 -30.6 -31.7 185 206 A F H > S+ 0 0 2 68,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.986 111.0 37.6 -92.5 -52.2 29.4 -30.0 -35.0 186 207 A D H 4 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.688 121.0 48.5 -66.4 -23.1 32.1 -32.8 -34.8 187 208 A N H < S+ 0 0 0 -4,-1.5 4,-0.3 -7,-0.2 -2,-0.2 0.833 123.9 26.4 -81.4 -35.1 29.6 -35.2 -33.0 188 209 A L H >X S+ 0 0 1 -4,-3.0 4,-3.0 -5,-0.2 3,-0.7 0.840 104.7 70.9-103.8 -35.8 26.7 -34.7 -35.4 189 210 A V H 3X S+ 0 0 6 -4,-2.8 4,-2.4 -5,-0.5 5,-0.2 0.899 97.6 51.2 -51.4 -50.8 28.0 -33.8 -38.8 190 211 A P H 3> S+ 0 0 46 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.838 115.7 44.5 -62.1 -26.8 29.5 -37.2 -39.6 191 212 A I H X> S+ 0 0 1 -3,-0.7 4,-2.4 -4,-0.3 3,-0.8 0.932 112.8 49.4 -75.7 -47.4 26.1 -38.7 -38.7 192 213 A L H 3X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -3,-0.2 0.806 105.3 56.8 -68.5 -27.5 24.0 -36.2 -40.5 193 214 A K H 3< S+ 0 0 71 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.760 111.2 43.5 -79.8 -17.9 25.9 -36.4 -43.8 194 215 A E H X< S+ 0 0 79 -3,-0.8 3,-1.2 -4,-0.6 4,-0.2 0.932 116.9 45.3 -78.2 -54.9 25.3 -40.2 -44.0 195 216 A L H >< S+ 0 0 6 -4,-2.4 3,-2.1 1,-0.2 6,-0.2 0.754 96.1 78.1 -58.0 -31.3 21.7 -40.0 -43.0 196 217 A N T 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.812 93.0 49.5 -50.5 -36.8 21.1 -37.1 -45.4 197 218 A S T < S+ 0 0 91 -3,-1.2 2,-0.8 -4,-0.3 -1,-0.3 0.507 91.8 92.3 -83.9 -3.2 21.0 -39.4 -48.4 198 219 A F X - 0 0 44 -3,-2.1 3,-1.6 -4,-0.2 -1,-0.1 -0.789 51.8-174.1 -98.2 103.8 18.5 -41.8 -46.7 199 220 A N T 3 S+ 0 0 160 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 0.671 81.5 62.3 -73.3 -16.6 14.8 -40.9 -47.5 200 221 A N T 3 S+ 0 0 47 -33,-0.1 -27,-2.3 -28,-0.1 2,-0.5 0.521 90.6 84.1 -84.0 -7.8 13.4 -43.4 -45.2 201 222 A V E < -h 173 0C 18 -3,-1.6 2,-0.5 -6,-0.2 -27,-0.2 -0.840 57.9-165.8-103.0 131.8 15.0 -41.7 -42.1 202 223 A T E -h 174 0C 79 -29,-3.2 -27,-3.1 -2,-0.5 2,-1.2 -0.960 14.3-148.6-115.0 119.4 13.4 -38.8 -40.3 203 224 A V E -h 175 0C 21 -2,-0.5 -27,-0.2 -29,-0.2 3,-0.1 -0.757 21.4-179.8 -79.8 100.0 15.6 -36.9 -37.8 204 225 A T E - 0 0 55 -29,-2.0 2,-0.3 -2,-1.2 -28,-0.2 0.772 58.0 -1.7 -80.5 -23.6 12.8 -36.0 -35.5 205 226 A N E -h 176 0C 18 -30,-1.0 -28,-2.7 -3,-0.1 2,-0.5 -0.964 47.2-154.8-165.2 143.7 14.8 -34.0 -33.0 206 227 A I E -hi 177 267C 0 60,-1.2 62,-3.0 -2,-0.3 2,-0.5 -0.994 18.5-160.3-120.3 121.9 18.3 -32.7 -32.1 207 228 A D E -hi 178 268C 17 -30,-3.0 -28,-2.4 -2,-0.5 2,-0.5 -0.872 1.9-162.8 -98.2 132.8 19.0 -32.0 -28.4 208 229 A L E -hi 179 269C 0 60,-2.9 62,-3.5 -2,-0.5 2,-0.5 -0.970 7.0-176.3-119.2 119.4 21.9 -29.8 -27.5 209 230 A Y E -hi 180 270C 8 -30,-2.3 -28,-2.2 -2,-0.5 62,-0.1 -0.966 31.5-110.2-116.0 130.0 23.1 -29.8 -23.9 210 231 A D - 0 0 0 60,-1.2 3,-0.1 -2,-0.5 -30,-0.1 -0.305 7.2-137.6 -60.7 135.4 25.9 -27.4 -22.8 211 232 A D - 0 0 32 1,-0.2 -106,-0.7 -106,-0.2 -107,-0.4 0.906 62.3-107.4 -50.5 -43.8 29.4 -28.7 -22.0 212 233 A G S >> S- 0 0 0 -107,-0.1 3,-0.8 -108,-0.1 4,-0.6 -0.967 80.3 -1.8 152.6-125.2 29.0 -26.2 -19.2 213 234 A S H >> S+ 0 0 26 -2,-0.3 4,-2.0 1,-0.2 3,-0.8 0.801 114.3 82.8 -66.7 -25.0 30.8 -22.9 -18.7 214 235 A A H 3> S+ 0 0 37 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.853 90.6 46.9 -49.7 -45.2 32.7 -23.5 -22.0 215 236 A E H <> S+ 0 0 2 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.864 109.5 54.6 -70.5 -26.2 29.9 -22.3 -24.2 216 237 A Y H < S+ 0 0 79 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.871 108.5 60.4 -68.6 -35.9 33.8 -13.5 -26.6 222 243 A W H >< S+ 0 0 26 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.610 80.9 84.1 -73.9 -10.8 31.2 -13.7 -29.4 223 244 A R T 3< S+ 0 0 62 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.1 0.837 84.2 61.7 -53.2 -33.4 29.5 -10.6 -28.0 224 245 A D T < S+ 0 0 122 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.690 75.8 124.2 -69.8 -20.4 32.1 -8.6 -30.0 225 246 A T X - 0 0 29 -3,-1.4 3,-0.5 -4,-0.2 2,-0.2 -0.161 55.7-141.4 -50.6 120.8 30.9 -10.0 -33.3 226 247 A L T 3 S+ 0 0 138 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.607 85.5 11.8 -68.3 144.7 29.9 -7.3 -35.9 227 248 A N T 3> S+ 0 0 106 -2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.925 75.3 179.2 54.8 52.4 26.9 -8.2 -37.9 228 249 A K H <> S+ 0 0 17 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.908 77.4 51.8 -53.0 -46.1 25.9 -11.2 -35.7 229 250 A T H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 108.1 51.1 -64.1 -43.9 22.9 -12.0 -37.7 230 251 A D H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 110.8 50.3 -51.4 -47.4 24.9 -12.0 -41.0 231 252 A N H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.883 109.6 49.4 -63.1 -42.8 27.4 -14.4 -39.3 232 253 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.892 110.4 49.9 -64.2 -41.2 24.7 -16.8 -38.1 233 254 A K H X S+ 0 0 120 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.871 110.0 49.9 -67.0 -38.3 23.1 -17.0 -41.5 234 255 A I H X S+ 0 0 115 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.895 107.2 58.8 -62.7 -38.0 26.4 -17.7 -43.1 235 256 A G H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.890 103.4 50.3 -54.0 -45.5 26.6 -20.3 -40.4 236 257 A K H X S+ 0 0 55 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.930 111.8 45.3 -60.6 -49.2 23.4 -22.0 -41.7 237 258 A D H X S+ 0 0 83 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.894 114.3 50.4 -63.9 -38.9 24.5 -22.2 -45.3 238 259 A Y H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.960 113.8 43.2 -62.6 -53.1 27.9 -23.5 -44.3 239 260 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.915 114.5 51.6 -59.6 -46.9 26.5 -26.2 -42.0 240 261 A E H X S+ 0 0 68 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.903 111.5 46.9 -54.5 -46.3 23.9 -27.1 -44.7 241 262 A D H X>S+ 0 0 53 -4,-2.7 6,-1.9 2,-0.2 5,-1.2 0.812 110.3 52.3 -67.9 -35.0 26.6 -27.4 -47.4 242 263 A V H ><5S+ 0 0 0 -4,-2.2 3,-0.9 4,-0.2 -2,-0.2 0.954 112.4 44.7 -65.9 -50.4 28.8 -29.5 -45.1 243 264 A I H 3<5S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.4 51.0 -60.5 -41.8 26.0 -32.0 -44.4 244 265 A N H 3<5S- 0 0 75 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.626 112.0-123.8 -67.0 -16.0 25.0 -32.0 -48.1 245 266 A G T <<5S+ 0 0 29 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.444 81.8 117.6 84.3 -0.1 28.6 -32.8 -49.0 246 267 A I S > S- 0 0 37 -3,-0.2 3,-2.2 3,-0.1 4,-2.2 0.266 91.2 -41.6 -91.6-153.8 32.6 -23.1 -33.6 255 276 A T H 3> S+ 0 0 28 1,-0.3 4,-1.3 2,-0.2 -36,-0.0 0.774 125.5 47.5 -44.5 -58.1 30.1 -20.6 -32.5 256 277 A S H 34 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.704 118.7 44.6 -63.5 -19.0 28.4 -19.5 -35.8 257 278 A S H X4 S+ 0 0 1 -3,-2.2 3,-1.2 1,-0.1 -1,-0.2 0.858 106.2 57.2 -85.3 -41.7 28.0 -23.2 -36.7 258 279 A V H >< S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.734 101.3 57.2 -69.3 -19.1 26.8 -24.6 -33.4 259 280 A Y T 3< S+ 0 0 3 -4,-1.3 -1,-0.3 -5,-0.2 -23,-0.1 -0.110 90.8 72.5-102.5 35.7 23.8 -22.3 -33.2 260 281 A N T X> + 0 0 0 -3,-1.2 3,-1.7 -25,-0.1 4,-0.6 0.400 58.7 101.2-123.4 -0.3 22.2 -23.3 -36.5 261 282 A W H X> S+ 0 0 0 -3,-0.5 4,-1.6 1,-0.3 3,-1.6 0.895 82.9 55.0 -50.1 -43.1 20.8 -26.8 -35.7 262 283 A Q H 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.652 100.1 59.6 -68.0 -19.6 17.3 -25.3 -35.3 263 284 A K H <4 S+ 0 0 91 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.624 118.0 29.3 -80.9 -14.1 17.4 -23.8 -38.7 264 285 A L H << S+ 0 0 38 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.1 0.539 127.8 16.9-120.8 -14.8 17.9 -27.2 -40.4 265 286 A Y S < S- 0 0 42 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.3 -0.960 89.9 -83.9-151.8 158.2 16.2 -29.6 -38.1 266 287 A P + 0 0 77 0, 0.0 -60,-1.2 0, 0.0 2,-0.3 -0.669 69.5 163.8 -65.6 128.0 13.7 -29.8 -35.3 267 288 A A E -i 206 0C 5 -2,-0.4 2,-0.4 -62,-0.3 -60,-0.2 -0.991 34.8-151.9-151.5 150.2 16.0 -29.0 -32.4 268 289 A N E -i 207 0C 36 -62,-3.0 -60,-2.9 -2,-0.3 2,-0.7 -0.992 8.1-153.6-130.3 125.4 16.2 -27.9 -28.8 269 290 A Y E -ij 208 294C 0 24,-3.3 26,-3.3 -2,-0.4 2,-1.0 -0.869 8.0-161.0 -94.1 115.3 19.0 -26.0 -27.1 270 291 A H E -ij 209 295C 27 -62,-3.5 -60,-1.2 -2,-0.7 2,-0.3 -0.781 14.6-157.8 -98.1 95.1 19.1 -26.7 -23.4 271 292 A F E > - j 0 296C 0 24,-2.8 26,-2.7 -2,-1.0 3,-0.7 -0.562 21.2-141.0 -79.6 131.4 21.1 -23.9 -21.9 272 293 A L T 3 S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.898 106.2 12.5 -49.3 -42.7 22.8 -24.3 -18.6 273 294 A R T > S+ 0 0 44 1,-0.1 3,-1.7 23,-0.0 4,-0.3 -0.717 70.4 179.2-140.1 88.4 21.8 -20.7 -18.0 274 295 A K T X S+ 0 0 83 -3,-0.7 3,-1.6 1,-0.3 4,-0.2 0.809 77.5 70.7 -52.8 -34.7 19.2 -19.5 -20.6 275 296 A D T >> S+ 0 0 59 1,-0.3 4,-3.3 2,-0.2 3,-1.6 0.659 78.4 78.9 -66.4 -14.5 19.1 -16.1 -19.0 276 297 A Y H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.880 86.4 58.5 -59.5 -37.1 22.6 -15.3 -20.2 277 298 A L H <4 S+ 0 0 0 -3,-1.6 10,-0.3 -4,-0.3 -1,-0.3 0.592 116.4 35.0 -69.9 -5.3 21.2 -14.5 -23.7 278 299 A T H <4 S+ 0 0 71 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.740 110.0 59.4-112.1 -46.2 19.0 -11.8 -22.1 279 300 A L H < S+ 0 0 67 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.824 103.1 60.6 -50.5 -39.1 21.3 -10.5 -19.4 280 301 A E S >< S- 0 0 11 -4,-1.8 3,-2.0 -5,-0.2 4,-0.4 -0.839 74.7-161.1 -92.3 103.6 23.8 -9.6 -22.2 281 302 A P G > S+ 0 0 91 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.861 88.2 61.5 -52.4 -36.4 22.0 -7.1 -24.4 282 303 A S G 3 S+ 0 0 46 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.716 100.1 55.6 -67.4 -17.3 24.4 -7.8 -27.3 283 304 A L G <> S+ 0 0 0 -3,-2.0 4,-2.8 -7,-0.2 -1,-0.3 0.425 75.3 96.9 -94.0 1.4 23.3 -11.5 -27.4 284 305 A H H <> S+ 0 0 63 -3,-1.8 4,-3.2 -4,-0.4 5,-0.2 0.890 81.1 58.3 -53.5 -39.8 19.6 -10.6 -27.9 285 306 A E H > S+ 0 0 77 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.918 108.4 44.2 -54.3 -46.4 20.2 -11.2 -31.6 286 307 A L H > S+ 0 0 0 -3,-0.2 4,-2.6 -4,-0.2 5,-0.3 0.925 111.4 53.0 -66.9 -44.1 21.4 -14.7 -30.9 287 308 A R H X S+ 0 0 68 -4,-2.8 4,-1.6 -10,-0.3 -2,-0.2 0.925 111.3 47.1 -53.6 -47.6 18.5 -15.2 -28.5 288 309 A D H < S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.1 53.1 -54.4 -46.5 16.1 -14.1 -31.4 289 310 A Y H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 109.3 45.0 -66.9 -39.7 17.9 -16.4 -33.8 290 311 A I H >< S+ 0 0 3 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.792 91.3 166.1 -72.2 -27.3 17.5 -19.5 -31.6 291 312 A G G >< - 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0 0 138 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.888 21.7-128.4-105.1 139.3 30.1 -10.0 -7.3 473 494 A E G >4 S+ 0 0 82 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.902 106.7 54.9 -53.4 -49.6 33.1 -8.3 -8.9 474 495 A E G 34 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.696 114.6 43.1 -61.8 -15.3 34.4 -6.6 -5.7 475 496 A N G <4 S+ 0 0 100 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.359 78.5 129.5-110.4 2.7 34.4 -10.1 -4.0 476 497 A V << - 0 0 1 -3,-1.7 2,-0.4 -4,-0.5 -33,-0.1 -0.366 43.9-154.8 -57.8 136.1 35.9 -12.3 -6.7 477 498 A L E -p 443 0E 27 -35,-0.5 -33,-3.0 3,-0.0 2,-0.4 -0.937 9.2-163.1-114.2 141.1 38.8 -14.3 -5.3 478 499 A F E > -p 444 0E 9 -2,-0.4 3,-0.6 -35,-0.2 -33,-0.2 -0.936 35.5-110.4-116.5 147.6 41.8 -15.7 -7.3 479 500 A W G > S+ 0 0 2 -35,-2.5 3,-0.9 -2,-0.4 -34,-0.1 0.715 116.4 49.7 -36.5 -23.0 44.0 -18.5 -5.9 480 501 A A G 3 S+ 0 0 25 1,-0.3 -1,-0.2 -29,-0.1 4,-0.0 0.622 97.4 62.7-117.7 -12.3 46.8 -16.0 -5.6 481 502 A D G < S+ 0 0 51 -3,-0.6 -1,-0.3 -30,-0.1 -2,-0.2 -0.208 88.9 95.9 68.2 -56.4 45.1 -13.6 -4.0 482 503 A L S < S- 0 0 5 -3,-0.9 9,-0.1 -4,-0.2 -122,-0.0 -0.716 82.8-100.5-101.7 153.6 44.6 -15.9 -1.0 483 504 A P - 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