==== 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 05-DEC-08 2ZWI . COMPND 2 MOLECULE: ALPHA-/BETA-GALACTOSIDE ALPHA-2,3-SIALYLTRANSFERA . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTOBACTERIUM PHOSPHOREUM; . AUTHOR T.IWATANI,N.OKINO,M.SAKAKURA,H.KAJIWARA,M.ICHIKAWA,Y.TAKAKUR . 743 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.1 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 . 58 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 5 0 3 3 6 0 0 5 3 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 6 2 4 2 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 37 A K 0 0 123 0, 0.0 73,-0.2 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 72.0 -47.7 10.8 -14.0 2 38 A N + 0 0 138 71,-0.8 2,-0.3 73,-0.0 72,-0.2 0.242 360.0 112.9-133.4 7.2 -46.1 13.6 -15.9 3 39 A K E -a 74 0A 90 70,-2.1 72,-1.9 27,-0.0 73,-1.7 -0.641 46.5-157.3 -93.8 142.2 -46.0 16.4 -13.4 4 40 A T E -a 76 0A 26 -2,-0.3 27,-0.6 71,-0.2 2,-0.4 -0.973 5.3-158.4-114.2 130.8 -42.9 18.0 -11.8 5 41 A I E -ab 77 31A 2 71,-2.4 73,-2.4 -2,-0.5 2,-0.5 -0.917 7.9-148.9-104.6 133.7 -43.0 19.8 -8.5 6 42 A E E -ab 78 32A 5 25,-2.7 27,-2.7 -2,-0.4 2,-0.4 -0.909 9.8-160.5-105.0 125.3 -40.3 22.3 -7.6 7 43 A V E -ab 79 33A 0 71,-3.6 73,-3.0 -2,-0.5 2,-0.5 -0.899 4.7-169.0-108.9 133.4 -39.4 22.7 -3.9 8 44 A Y E +ab 80 34A 4 25,-2.9 27,-3.0 -2,-0.4 2,-0.3 -0.975 13.7 164.2-127.4 116.5 -37.6 25.8 -2.6 9 45 A V E + b 0 35A 7 71,-2.9 2,-0.3 -2,-0.5 27,-0.2 -0.975 2.1 151.6-134.3 146.3 -36.2 26.0 0.9 10 46 A D E - b 0 36A 3 25,-1.5 27,-2.7 -2,-0.3 28,-0.2 -0.900 28.6-165.6-168.6 145.5 -33.7 28.3 2.7 11 47 A R S S+ 0 0 91 -2,-0.3 -1,-0.1 25,-0.2 25,-0.1 0.581 83.5 43.5-102.2 -21.8 -32.9 29.5 6.2 12 48 A A S S- 0 0 16 25,-0.1 26,-0.6 26,-0.0 101,-0.1 0.213 88.6-108.1-102.2-140.1 -30.5 32.3 5.1 13 49 A T S > S+ 0 0 20 99,-0.3 4,-2.7 3,-0.1 5,-0.2 0.647 97.3 66.0-127.1 -36.3 -30.7 34.9 2.3 14 50 A L H > S+ 0 0 5 98,-0.5 4,-2.4 1,-0.2 5,-0.3 0.946 105.5 44.1 -61.9 -53.4 -28.2 34.1 -0.5 15 51 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.875 113.9 53.0 -57.6 -35.4 -29.8 30.8 -1.6 16 52 A T H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.953 109.8 46.4 -62.8 -49.5 -33.2 32.5 -1.4 17 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.897 116.0 45.3 -62.2 -44.2 -32.1 35.4 -3.6 18 54 A Q H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.878 113.7 50.5 -64.2 -39.6 -30.5 33.0 -6.2 19 55 A Q H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.945 109.4 50.0 -65.6 -45.8 -33.6 30.8 -6.0 20 56 A M H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.934 111.1 50.7 -53.6 -47.2 -36.0 33.7 -6.6 21 57 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 109.6 48.7 -63.0 -41.0 -33.8 34.8 -9.6 22 58 A Q H X S+ 0 0 10 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.896 109.5 52.5 -64.4 -42.6 -33.8 31.2 -11.2 23 59 A I H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 5,-0.5 0.953 114.0 44.0 -55.9 -49.2 -37.6 31.0 -10.8 24 60 A I H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.0 48.2 -63.9 -43.3 -38.0 34.3 -12.6 25 61 A N H < S+ 0 0 36 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.5 41.9 -65.6 -44.1 -35.4 33.4 -15.3 26 62 A E H < S- 0 0 39 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.797 82.1-162.8 -75.4 -32.4 -36.9 30.0 -16.0 27 63 A N < + 0 0 68 -4,-2.3 2,-0.2 -5,-0.3 -3,-0.1 0.899 25.3 172.5 48.1 48.6 -40.6 31.2 -16.0 28 64 A S - 0 0 30 -5,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.518 37.1-143.6 -83.9 155.8 -41.8 27.6 -15.6 29 65 A N + 0 0 135 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.232 57.9 126.6-101.9 13.2 -45.4 26.6 -14.9 30 66 A N S S- 0 0 41 1,-0.1 -25,-0.2 -27,-0.0 2,-0.1 -0.401 74.2 -96.7 -62.3 146.3 -44.5 23.7 -12.6 31 67 A K E -b 5 0A 46 -27,-0.6 -25,-2.7 21,-0.1 2,-0.4 -0.434 44.5-152.8 -62.3 136.7 -46.2 23.8 -9.2 32 68 A K E -bc 6 52A 2 19,-2.5 21,-2.1 -27,-0.2 2,-0.5 -0.964 13.8-162.0-121.4 134.4 -43.8 25.3 -6.7 33 69 A L E -bc 7 53A 2 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.4 -0.978 21.3-170.3-113.8 121.3 -43.7 24.7 -2.9 34 70 A I E +bc 8 54A 0 19,-2.9 21,-3.0 -2,-0.5 2,-0.3 -0.924 23.3 168.0-125.5 132.6 -41.7 27.4 -1.1 35 71 A S E +b 9 0A 12 -27,-3.0 -25,-1.5 -2,-0.4 2,-0.5 -0.762 11.1 167.2-143.7 97.5 -40.4 27.8 2.5 36 72 A W E > -b 10 0A 3 3,-0.3 3,-0.7 -2,-0.3 -25,-0.2 -0.954 24.3-155.1-114.3 116.3 -38.0 30.7 3.0 37 73 A S T 3 S+ 0 0 80 -27,-2.7 -26,-0.2 -2,-0.5 -1,-0.1 0.870 95.3 36.4 -56.0 -42.6 -37.2 31.7 6.6 38 74 A R T 3 S+ 0 0 117 -26,-0.6 -1,-0.2 -28,-0.2 -27,-0.1 0.505 118.7 51.2 -94.2 -5.9 -36.2 35.3 5.8 39 75 A Y < - 0 0 28 -3,-0.7 2,-0.3 2,-0.0 -3,-0.3 -0.552 64.2-176.6-134.9 70.2 -38.7 35.9 3.0 40 76 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.540 17.2-150.0 -66.7 128.2 -42.3 35.0 3.9 41 77 A I + 0 0 11 -2,-0.3 13,-0.2 1,-0.1 -7,-0.1 -0.905 33.4 156.9-107.0 109.6 -44.5 35.6 0.8 42 78 A N + 0 0 123 -2,-0.7 2,-1.0 5,-0.0 -1,-0.1 0.368 41.8 112.8-105.9 -3.2 -48.1 36.6 1.5 43 79 A D > - 0 0 68 1,-0.2 4,-2.6 173,-0.1 5,-0.1 -0.625 45.9-173.4 -76.2 102.8 -48.5 38.2 -1.9 44 80 A E H > S+ 0 0 109 -2,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.818 81.8 54.1 -72.0 -33.3 -51.1 36.0 -3.5 45 81 A T H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 111.6 46.7 -62.2 -47.2 -50.9 37.7 -7.0 46 82 A L H > S+ 0 0 8 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.953 113.9 48.0 -56.7 -52.3 -47.1 37.1 -6.9 47 83 A L H >X>S+ 0 0 2 -4,-2.6 5,-2.8 1,-0.2 3,-0.8 0.898 110.6 51.0 -60.5 -41.4 -47.6 33.5 -5.8 48 84 A E H 3<5S+ 0 0 145 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.837 103.1 60.0 -65.4 -32.6 -50.2 32.8 -8.5 49 85 A S H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.719 115.5 34.2 -68.5 -21.1 -47.9 34.3 -11.2 50 86 A I H <<5S- 0 0 7 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.391 110.5-117.9-109.4 1.5 -45.3 31.6 -10.4 51 87 A N T <5 + 0 0 73 -4,-0.7 -19,-2.5 -3,-0.4 2,-0.3 0.903 66.1 150.3 61.0 44.0 -47.9 28.8 -9.5 52 88 A G E < -c 32 0A 11 -5,-2.8 2,-0.4 -21,-0.2 -19,-0.2 -0.714 42.8-158.1-111.8 156.5 -46.5 28.7 -6.0 53 89 A S E -c 33 0A 45 -21,-2.1 -19,-2.9 -2,-0.3 2,-0.4 -0.989 18.4-143.2-122.9 139.5 -47.6 28.0 -2.4 54 90 A F E -c 34 0A 39 -2,-0.4 2,-0.4 -21,-0.2 -19,-0.2 -0.857 11.5-165.4-104.2 139.2 -45.7 29.4 0.6 55 91 A F - 0 0 27 -21,-3.0 -19,-0.2 -2,-0.4 -14,-0.1 -0.977 19.2-145.7-125.1 132.9 -45.3 27.4 3.8 56 92 A K S S+ 0 0 180 -2,-0.4 2,-0.3 -21,-0.1 -1,-0.1 0.728 83.6 18.8 -70.7 -23.8 -44.1 29.0 7.1 57 93 A N S > S- 0 0 68 1,-0.1 4,-1.7 -3,-0.0 3,-0.3 -0.973 76.8-110.1-146.5 163.6 -42.2 25.8 8.0 58 94 A R H > S+ 0 0 72 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.883 112.0 54.6 -59.2 -47.1 -40.7 22.6 6.7 59 95 A P H > S+ 0 0 82 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.872 109.0 50.0 -61.6 -31.0 -43.1 20.1 8.2 60 96 A E H > S+ 0 0 107 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.909 110.9 48.9 -68.0 -41.9 -46.1 22.0 6.6 61 97 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.924 110.2 51.3 -61.4 -45.3 -44.4 21.9 3.2 62 98 A I H X S+ 0 0 21 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.882 105.7 55.9 -60.4 -41.2 -43.7 18.2 3.5 63 99 A K H X S+ 0 0 147 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.904 112.4 41.5 -56.8 -46.3 -47.3 17.5 4.4 64 100 A S H X S+ 0 0 40 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.848 113.4 53.9 -71.2 -37.7 -48.5 19.2 1.1 65 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.960 109.2 48.8 -57.4 -53.5 -45.7 17.6 -0.9 66 102 A D H X S+ 0 0 35 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.856 108.8 51.1 -58.1 -42.4 -46.7 14.1 0.3 67 103 A S H X S+ 0 0 68 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.909 110.0 51.3 -66.1 -37.8 -50.4 14.5 -0.5 68 104 A M H ><>S+ 0 0 43 -4,-1.8 3,-1.2 1,-0.2 5,-0.6 0.926 110.0 48.8 -60.3 -46.1 -49.5 15.7 -4.0 69 105 A I H ><5S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 5,-0.3 0.850 102.6 63.9 -62.2 -33.7 -47.3 12.6 -4.5 70 106 A L H 3<5S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.661 87.4 70.0 -66.9 -15.8 -50.2 10.4 -3.2 71 107 A T T <<5S- 0 0 70 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.591 104.0-130.8 -73.5 -12.3 -52.3 11.5 -6.2 72 108 A N T < 5S+ 0 0 80 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.481 82.4 105.7 74.7 6.9 -49.9 9.4 -8.3 73 109 A E < + 0 0 92 -5,-0.6 -70,-2.1 -72,-0.1 2,-0.8 0.462 47.6 102.0 -95.9 -2.9 -49.5 12.2 -10.8 74 110 A I E +a 3 0A 4 -5,-0.3 -70,-0.2 -6,-0.2 30,-0.1 -0.736 35.4 170.0 -96.6 106.3 -46.0 13.3 -9.7 75 111 A K E + 0 0 90 -72,-1.9 29,-2.5 -2,-0.8 2,-0.3 0.929 68.4 8.3 -72.1 -46.1 -43.2 12.2 -12.0 76 112 A K E -ad 4 104A 24 -73,-1.7 -71,-2.4 27,-0.2 2,-0.4 -0.974 51.8-155.5-143.7 146.7 -40.4 14.3 -10.5 77 113 A V E -ad 5 105A 0 27,-2.6 29,-2.3 -2,-0.3 2,-0.6 -0.996 10.7-161.1-121.4 124.0 -39.5 16.6 -7.5 78 114 A I E -ad 6 106A 25 -73,-2.4 -71,-3.6 -2,-0.4 2,-0.5 -0.941 11.6-158.5 -99.4 118.8 -36.7 19.1 -7.9 79 115 A I E -ad 7 107A 1 27,-2.7 29,-2.6 -2,-0.6 2,-0.5 -0.896 5.6-166.8-102.9 124.5 -35.5 20.2 -4.5 80 116 A N E +ad 8 108A 6 -73,-3.0 -71,-2.9 -2,-0.5 29,-0.2 -0.953 27.4 147.0-112.3 120.0 -33.7 23.6 -4.2 81 117 A G E - d 0 109A 0 27,-2.6 29,-2.3 -2,-0.5 2,-0.5 -0.623 49.5 -79.5-140.8-168.1 -31.9 24.2 -0.9 82 118 A N E - d 0 110A 2 3,-0.3 7,-0.2 27,-0.2 6,-0.2 -0.928 31.1-144.2-110.1 121.1 -29.1 25.6 1.1 83 119 A T S > S+ 0 0 0 27,-2.0 3,-1.6 -2,-0.5 28,-0.1 0.920 100.6 47.5 -55.3 -52.0 -25.8 23.6 1.0 84 120 A L T 3 S+ 0 0 16 1,-0.3 3,-0.3 26,-0.3 -1,-0.2 0.898 117.5 45.4 -54.8 -40.6 -24.8 24.2 4.7 85 121 A W T >> + 0 0 84 1,-0.2 3,-2.1 2,-0.1 4,-0.6 -0.168 68.5 138.2 -98.1 38.1 -28.4 23.3 5.7 86 122 A A H <> + 0 0 0 -3,-1.6 4,-2.6 1,-0.3 3,-0.3 0.744 58.2 80.9 -54.1 -22.9 -28.5 20.2 3.5 87 123 A V H 3> S+ 0 0 36 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.849 86.1 56.6 -52.0 -37.8 -30.3 18.6 6.5 88 124 A D H <> S+ 0 0 15 -3,-2.1 4,-1.3 -6,-0.2 -1,-0.2 0.923 109.2 43.8 -63.7 -43.2 -33.5 20.3 5.4 89 125 A V H X S+ 0 0 1 -4,-0.6 4,-3.1 -3,-0.3 5,-0.2 0.886 108.0 60.2 -70.6 -33.4 -33.3 18.7 1.9 90 126 A V H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.931 106.4 47.0 -51.0 -48.9 -32.4 15.3 3.6 91 127 A N H X S+ 0 0 43 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.812 111.7 50.3 -68.6 -30.5 -35.7 15.4 5.5 92 128 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.936 112.7 46.5 -68.9 -47.0 -37.6 16.3 2.3 93 129 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.926 109.9 54.6 -58.0 -48.5 -35.9 13.4 0.5 94 130 A K H X S+ 0 0 79 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.912 109.2 47.7 -48.0 -48.4 -36.6 11.0 3.4 95 131 A S H X S+ 0 0 26 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.899 113.5 46.4 -67.1 -43.3 -40.4 11.9 3.2 96 132 A I H <>S+ 0 0 1 -4,-2.1 5,-0.6 1,-0.2 4,-0.5 0.935 114.3 46.7 -61.1 -51.5 -40.6 11.4 -0.6 97 133 A E H ><5S+ 0 0 83 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.839 104.8 62.0 -61.0 -38.3 -38.7 8.0 -0.5 98 134 A A H 3<5S+ 0 0 83 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.877 95.1 60.9 -54.7 -43.0 -40.8 6.7 2.4 99 135 A L T 3<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.703 95.5-146.6 -60.4 -24.2 -43.9 7.0 0.3 100 136 A G T < 5 + 0 0 60 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.825 51.9 137.1 60.5 38.5 -42.4 4.4 -2.1 101 137 A K S > S- 0 0 1 -99,-0.1 4,-0.6 -101,-0.1 3,-0.6 -0.953 81.5 -10.9 157.8-140.7 -22.1 32.1 2.4 114 150 A S H 3> S+ 0 0 27 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 0.722 114.2 76.4 -67.2 -26.1 -18.6 32.1 3.9 115 151 A A H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 92.7 50.7 -56.2 -46.2 -19.2 28.9 6.1 116 152 A E H <> S+ 0 0 0 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.881 112.9 48.1 -57.8 -36.8 -18.9 26.5 3.1 117 153 A Y H X S+ 0 0 0 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.834 109.5 50.6 -78.7 -33.6 -15.6 28.2 2.2 118 154 A V H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.927 113.6 47.3 -62.4 -45.3 -14.2 28.1 5.7 119 155 A R H X S+ 0 0 90 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.897 110.2 51.9 -64.9 -40.6 -15.1 24.4 5.8 120 156 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.899 110.0 49.2 -61.4 -42.8 -13.5 23.8 2.3 121 157 A Y H X S+ 0 0 19 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.951 112.7 47.2 -60.1 -49.1 -10.3 25.5 3.5 122 158 A D H >X S+ 0 0 82 -4,-2.3 3,-1.1 1,-0.2 4,-0.5 0.928 112.1 50.0 -58.8 -47.0 -10.2 23.4 6.7 123 159 A F H >< S+ 0 0 9 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.854 104.9 58.6 -59.4 -38.3 -10.9 20.2 4.7 124 160 A S H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.671 96.6 62.7 -67.0 -20.3 -8.1 21.1 2.2 125 161 A R H << S+ 0 0 128 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.682 84.2 98.1 -75.9 -20.5 -5.6 21.1 5.2 126 162 A L S << S- 0 0 38 -3,-1.2 5,-0.1 -4,-0.5 -3,-0.0 -0.341 91.3 -97.5 -65.2 145.2 -6.3 17.4 5.7 127 163 A P >> - 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