==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-MAY-11 3S5P . COMPND 2 MOLECULE: RIBOSE 5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 259 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 17.8 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 . 0 0.0 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 1 0 0 2 2 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 . 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 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 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 -2 A P > 0 0 115 0, 0.0 3,-1.0 0, 0.0 30,-0.3 0.000 360.0 360.0 360.0 -50.6 -63.7 1.6 2.6 2 -1 A G T 3 + 0 0 61 1,-0.2 27,-0.1 28,-0.1 26,-0.0 0.732 360.0 58.7 -64.4 -23.8 -65.2 3.9 5.2 3 0 A S T 3 S+ 0 0 99 27,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.440 83.8 102.8 -82.9 -8.5 -64.8 0.8 7.6 4 1 A M < - 0 0 46 -3,-1.0 27,-2.6 25,-0.2 2,-0.7 -0.738 55.8-154.5 -97.8 126.3 -61.0 0.4 7.2 5 2 A K E -a 31 0A 22 -2,-0.5 50,-3.4 25,-0.2 51,-1.3 -0.832 15.7-172.7 -96.5 109.9 -58.5 1.5 9.8 6 3 A V E -ab 32 56A 0 25,-2.9 27,-2.4 -2,-0.7 2,-0.3 -0.909 7.8-155.3-110.1 119.9 -55.1 2.3 8.2 7 4 A A E -ab 33 57A 0 49,-2.7 51,-3.2 -2,-0.5 2,-0.4 -0.684 8.1-162.2 -93.6 146.5 -52.0 3.0 10.4 8 5 A F E +ab 34 58A 0 25,-2.5 27,-2.7 -2,-0.3 28,-0.8 -0.995 14.9 163.7-131.8 133.0 -49.0 5.1 9.0 9 6 A A E +ab 36 59A 1 49,-2.2 51,-2.4 -2,-0.4 2,-0.3 -0.983 8.4 178.2-143.6 151.8 -45.5 5.3 10.4 10 7 A S E - b 0 60A 0 26,-1.8 51,-0.2 -2,-0.3 5,-0.1 -0.987 28.9-108.4-150.2 158.8 -42.2 6.6 8.8 11 8 A D > - 0 0 45 49,-1.9 3,-0.9 -2,-0.3 4,-0.2 -0.196 55.0 -86.0 -72.9 179.3 -38.5 7.3 9.4 12 9 A H G > S+ 0 0 85 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.910 130.0 44.8 -55.3 -49.5 -37.2 10.8 9.7 13 10 A G G 3 S+ 0 0 67 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.661 105.3 66.5 -70.6 -14.2 -36.7 11.4 6.0 14 11 A G G <> + 0 0 3 -3,-0.9 4,-2.6 46,-0.2 -1,-0.2 0.297 66.8 99.1 -94.8 7.1 -40.1 9.8 5.2 15 12 A R H <> S+ 0 0 25 -3,-1.0 4,-2.7 -4,-0.2 5,-0.3 0.890 81.2 51.5 -63.3 -45.8 -42.5 12.4 6.8 16 13 A D H > S+ 0 0 136 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.977 115.3 41.9 -53.9 -59.6 -43.3 14.3 3.5 17 14 A L H > S+ 0 0 20 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.920 114.1 53.3 -53.7 -45.7 -44.3 11.0 1.8 18 15 A R H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.929 112.5 43.0 -56.5 -51.6 -46.1 9.7 4.9 19 16 A M H X S+ 0 0 109 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.847 113.5 52.2 -60.4 -43.3 -48.3 12.9 5.2 20 17 A F H X S+ 0 0 58 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.950 112.3 44.3 -61.0 -50.8 -48.9 12.9 1.5 21 18 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.858 111.7 55.7 -63.2 -36.6 -50.1 9.3 1.5 22 19 A Q H X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.947 107.7 47.4 -58.1 -50.6 -52.1 10.1 4.7 23 20 A Q H X S+ 0 0 60 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.936 112.3 50.4 -55.1 -50.3 -54.0 12.9 2.9 24 21 A R H X S+ 0 0 88 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.877 111.4 47.1 -58.0 -44.3 -54.7 10.7 -0.1 25 22 A A H <>S+ 0 0 4 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.884 110.5 53.4 -66.8 -37.8 -56.1 7.9 2.0 26 23 A S H ><5S+ 0 0 68 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.908 107.5 50.8 -57.5 -45.6 -58.3 10.4 4.0 27 24 A A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.638 105.6 56.1 -75.4 -15.1 -59.8 11.7 0.8 28 25 A H T 3<5S- 0 0 126 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.117 125.9 -98.8-102.7 19.0 -60.6 8.2 -0.5 29 26 A G T < 5S+ 0 0 40 -3,-1.5 -3,-0.2 1,-0.2 -25,-0.2 0.426 74.3 142.2 90.6 2.1 -62.6 7.6 2.7 30 27 A Y < - 0 0 32 -5,-2.3 2,-0.9 -6,-0.1 -1,-0.2 -0.407 55.9-118.5 -78.4 150.9 -60.1 5.6 4.8 31 28 A E E -a 5 0A 48 -27,-2.6 -25,-2.9 -30,-0.3 2,-0.3 -0.822 38.4-154.4 -89.6 106.5 -59.8 6.0 8.6 32 29 A V E -a 6 0A 43 -2,-0.9 2,-0.5 -27,-0.2 -25,-0.2 -0.666 16.7-168.4 -89.7 137.7 -56.2 7.2 9.0 33 30 A M E -a 7 0A 54 -27,-2.4 -25,-2.5 -2,-0.3 2,-0.7 -0.950 8.5-159.0-125.8 105.4 -54.1 6.7 12.1 34 31 A D E +a 8 0A 77 -2,-0.5 -25,-0.1 -27,-0.2 -27,-0.1 -0.779 14.2 175.8 -83.4 114.2 -50.9 8.8 12.0 35 32 A L E - 0 0 66 -27,-2.7 -26,-0.2 -2,-0.7 -1,-0.2 0.698 40.9-126.9 -97.6 -21.3 -48.5 7.1 14.4 36 33 A G E a 9 0A 20 -28,-0.8 -26,-1.8 -21,-0.0 -1,-0.2 -0.458 360.0 360.0 113.6-177.7 -45.6 9.4 13.7 37 34 A T 0 0 103 -28,-0.2 -26,-0.2 -2,-0.1 -25,-0.1 -0.753 360.0 360.0 -98.0 360.0 -42.0 9.9 12.7 38 ! 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 39 43 A P >> 0 0 127 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 57.7 -36.3 0.8 14.1 40 44 A D H 3> + 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 360.0 59.3 -59.0 -47.9 -38.9 2.1 16.7 41 45 A F H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.679 104.9 49.6 -64.1 -21.8 -41.4 3.3 14.1 42 46 A A H <> S+ 0 0 4 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.919 109.8 47.8 -79.4 -50.6 -41.8 -0.2 12.5 43 47 A K H X S+ 0 0 36 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.945 115.7 49.8 -51.7 -44.6 -42.4 -2.0 15.7 44 48 A I H X S+ 0 0 79 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.906 110.9 46.2 -61.7 -50.2 -44.9 0.8 16.4 45 49 A G H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.8 0.945 115.1 47.3 -56.0 -47.9 -46.7 0.5 13.1 46 50 A C H >X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.3 3,-0.6 0.837 103.9 61.0 -69.2 -30.3 -46.9 -3.2 13.3 47 51 A E H 3X S+ 0 0 95 -4,-2.0 4,-1.4 -5,-0.3 6,-0.3 0.742 95.5 61.1 -72.6 -23.5 -48.2 -3.2 16.8 48 52 A A H <<>S+ 0 0 0 -4,-1.0 6,-2.6 -3,-0.8 5,-1.3 0.852 111.5 41.6 -65.6 -33.6 -51.3 -1.2 15.8 49 53 A V H X<5S+ 0 0 18 -4,-0.8 3,-1.4 -3,-0.6 -2,-0.2 0.937 113.7 49.0 -78.2 -48.3 -52.1 -4.2 13.5 50 54 A T H 3<5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.724 110.7 52.1 -70.9 -19.4 -51.2 -7.0 15.9 51 55 A S T 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.488 115.9-112.1 -91.6 -6.4 -53.3 -5.4 18.7 52 56 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.527 88.0 113.0 91.3 5.0 -56.4 -5.1 16.6 53 57 A R S S+ 0 0 1 38,-0.2 4,-2.5 -4,-0.1 5,-0.2 0.142 85.4 105.2 99.3 -16.0 -38.2 -0.4 2.6 65 69 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.945 78.4 41.6 -69.1 -52.5 -35.8 -3.3 2.7 66 70 A G H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 117.9 48.7 -64.9 -36.4 -34.6 -3.2 6.3 67 71 A I H > S+ 0 0 17 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.897 109.4 51.1 -70.4 -38.6 -38.2 -2.4 7.5 68 72 A S H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 11,-0.3 0.905 111.3 49.0 -69.2 -35.6 -39.7 -5.2 5.6 69 73 A I H X S+ 0 0 13 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.960 116.3 41.6 -62.9 -51.0 -37.2 -7.7 7.0 70 74 A A H < S+ 0 0 39 -4,-2.3 3,-0.4 2,-0.2 4,-0.3 0.902 115.4 50.7 -66.5 -39.8 -37.7 -6.5 10.6 71 75 A A H >< S+ 0 0 0 -4,-3.3 3,-1.9 1,-0.2 -1,-0.2 0.929 107.7 52.2 -64.9 -46.0 -41.5 -6.3 10.1 72 76 A N H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.725 97.6 68.2 -62.8 -19.6 -41.7 -9.8 8.7 73 77 A K T 3< S+ 0 0 88 -4,-1.0 2,-0.4 -3,-0.4 -1,-0.3 0.561 85.1 90.6 -73.1 -9.8 -39.7 -11.1 11.8 74 78 A M S X S- 0 0 51 -3,-1.9 3,-1.7 -4,-0.3 136,-0.0 -0.736 88.9-109.6 -90.6 137.0 -42.8 -10.3 13.9 75 79 A K T 3 S+ 0 0 199 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.303 101.2 14.8 -59.0 137.5 -45.4 -12.9 14.4 76 80 A G T 3 S+ 0 0 44 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.582 100.1 113.8 75.0 8.4 -48.7 -12.2 12.6 77 81 A I < - 0 0 0 -3,-1.7 2,-0.5 -6,-0.2 -1,-0.2 -0.958 41.4-174.6-114.1 131.0 -47.2 -9.5 10.3 78 82 A R - 0 0 72 -2,-0.4 21,-1.7 18,-0.1 20,-1.7 -0.931 12.8-167.2-125.2 106.3 -46.9 -10.0 6.6 79 83 A C E -d 99 0A 1 -2,-0.5 2,-0.6 -11,-0.3 21,-0.2 -0.835 5.3-162.2-108.7 125.9 -45.0 -7.1 5.1 80 84 A A E -d 100 0A 0 19,-2.3 21,-2.7 -2,-0.5 2,-0.8 -0.919 8.1-155.8-109.0 117.2 -44.9 -6.5 1.3 81 85 A L E -d 101 0A 14 -2,-0.6 2,-0.4 19,-0.2 21,-0.2 -0.872 28.8-174.0 -89.9 112.4 -42.3 -4.2 -0.2 82 86 A C + 0 0 3 19,-1.3 21,-0.3 -2,-0.8 3,-0.1 -0.848 32.5 173.1-115.6 141.7 -44.0 -3.1 -3.4 83 87 A S S S+ 0 0 39 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.378 73.5 39.3-125.2 1.8 -42.8 -1.1 -6.3 84 88 A T S > S- 0 0 55 1,-0.1 4,-1.7 31,-0.1 -1,-0.1 -0.935 81.6-114.5-139.9 163.6 -45.8 -1.5 -8.7 85 89 A E H > S+ 0 0 26 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.848 118.4 57.5 -64.4 -33.4 -49.5 -1.6 -8.3 86 90 A Y H > S+ 0 0 103 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.924 102.9 52.3 -62.0 -49.9 -49.4 -5.3 -9.4 87 91 A D H > S+ 0 0 7 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.930 111.6 48.6 -43.4 -53.4 -47.0 -6.1 -6.5 88 92 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.906 111.1 49.2 -59.5 -45.4 -49.6 -4.4 -4.2 89 93 A E H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 3,-0.3 0.918 115.0 43.6 -59.7 -47.0 -52.5 -6.4 -5.8 90 94 A M H X>S+ 0 0 8 -4,-3.0 4,-2.4 1,-0.2 5,-1.4 0.916 106.2 62.2 -70.7 -37.1 -50.6 -9.7 -5.4 91 95 A A H <5S+ 0 0 0 -4,-3.2 6,-2.6 -5,-0.2 -1,-0.2 0.835 116.6 31.4 -53.2 -37.2 -49.4 -8.9 -1.8 92 96 A R H X5S+ 0 0 44 -4,-1.3 4,-1.5 -3,-0.3 33,-0.4 0.936 121.8 46.8 -84.5 -56.4 -53.1 -8.8 -0.8 93 97 A K H <5S+ 0 0 54 -4,-2.5 32,-2.6 31,-0.3 -3,-0.2 0.886 132.2 13.9 -52.8 -51.4 -54.6 -11.4 -3.1 94 98 A H T <5S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.756 134.8 36.9 -99.9 -33.6 -52.1 -14.2 -2.7 95 99 A N T 4> -c 61 0A 0 -2,-0.4 4,-2.6 -40,-0.3 3,-1.2 -0.841 11.5-169.2 -98.6 104.2 -39.0 3.3 -0.0 104 108 A G T 34 S+ 0 0 36 -43,-2.8 -42,-0.2 -2,-0.8 -1,-0.2 0.777 91.4 50.3 -58.5 -29.4 -39.2 7.1 0.0 105 109 A R T 34 S+ 0 0 187 -43,-2.3 -1,-0.3 -44,-0.4 -42,-0.1 0.610 121.8 32.0 -82.7 -14.3 -35.7 7.2 -1.5 106 110 A T T <4 S+ 0 0 52 -3,-1.2 2,-0.4 -44,-0.6 -2,-0.2 0.609 109.9 64.1-119.3 -19.0 -36.7 4.8 -4.3 107 111 A T S < S- 0 0 18 -4,-2.6 -1,-0.2 4,-0.0 -24,-0.0 -0.945 74.1-127.7-122.0 131.3 -40.3 5.4 -5.1 108 112 A G > - 0 0 37 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.362 28.6-112.3 -72.9 151.3 -41.9 8.6 -6.4 109 113 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.828 114.3 47.6 -56.7 -37.0 -44.9 10.1 -4.6 110 114 A E H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.883 114.0 46.5 -76.2 -35.9 -47.5 9.3 -7.3 111 115 A V H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 111.6 52.5 -68.4 -38.7 -46.4 5.7 -7.8 112 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 109.8 49.1 -63.6 -41.2 -46.3 5.3 -4.0 113 117 A A H X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.859 110.9 48.7 -66.9 -34.1 -49.9 6.6 -3.8 114 118 A S H X S+ 0 0 60 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.837 111.6 50.1 -80.6 -23.9 -51.1 4.3 -6.6 115 119 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.919 112.6 47.3 -67.7 -50.5 -49.5 1.3 -4.8 116 120 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.915 110.4 51.8 -55.1 -51.7 -51.1 2.3 -1.6 117 121 A S H X S+ 0 0 60 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.901 113.4 44.1 -59.4 -39.0 -54.5 2.7 -3.2 118 122 A R H X S+ 0 0 93 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.908 112.3 53.3 -72.0 -38.2 -54.3 -0.8 -4.8 119 123 A F H < S+ 0 0 3 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.906 111.4 46.4 -57.9 -41.6 -53.0 -2.3 -1.5 120 124 A L H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 115.8 43.4 -79.5 -23.5 -56.0 -0.8 0.4 121 125 A S H < S+ 0 0 69 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.2 0.444 93.6 89.2-103.5 -1.1 -58.7 -1.9 -2.1 122 126 A T < - 0 0 13 -4,-0.9 2,-0.3 -3,-0.4 -32,-0.0 -0.846 65.1-146.8 -99.8 132.3 -57.6 -5.4 -2.9 123 127 A N - 0 0 118 -2,-0.4 2,-0.1 1,-0.1 -31,-0.1 -0.704 22.4-103.9 -93.6 148.4 -58.9 -8.3 -0.7 124 128 A F - 0 0 67 -2,-0.3 2,-1.1 1,-0.1 -31,-0.3 -0.430 23.8-131.8 -62.0 139.2 -57.0 -11.5 0.3 125 129 A E > + 0 0 86 -32,-2.6 4,-1.0 -33,-0.4 3,-0.3 -0.568 42.8 160.5 -89.8 65.6 -58.2 -14.6 -1.7 126 130 A G H > + 0 0 26 -2,-1.1 4,-2.7 1,-0.2 3,-0.3 0.869 61.0 68.1 -53.3 -42.2 -58.5 -16.7 1.6 127 131 A G H > S+ 0 0 61 1,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.871 99.8 43.7 -45.7 -58.3 -60.8 -19.3 -0.2 128 132 A R H 4 S+ 0 0 80 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.815 119.0 44.1 -63.1 -33.9 -58.3 -20.8 -2.6 129 133 A H H >< S+ 0 0 82 -4,-1.0 3,-1.2 -3,-0.3 -1,-0.2 0.840 98.2 76.0 -78.9 -35.1 -55.5 -21.0 0.1 130 134 A A H 3< S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.820 100.8 37.9 -44.5 -47.0 -57.9 -22.4 2.8 131 135 A A T 3< S+ 0 0 78 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.1 0.536 83.2 119.6 -93.2 -7.6 -58.1 -25.9 1.4 132 136 A R < - 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0 0 0 -3,-1.6 2,-0.5 -6,-0.2 -1,-0.3 -0.904 38.9-176.4-109.0 132.3 -32.2 -15.0 7.0 215 82 B R - 0 0 79 -2,-0.5 20,-2.3 18,-0.1 21,-1.7 -0.952 17.3-167.6-125.1 106.9 -32.3 -11.4 5.9 216 83 B C E -h 236 0B 0 -2,-0.5 2,-0.5 -11,-0.2 21,-0.2 -0.875 7.0-161.0-108.2 120.3 -34.1 -11.4 2.5 217 84 B A E -h 237 0B 0 19,-2.9 21,-2.7 -2,-0.6 2,-0.7 -0.829 6.4-156.1 -98.7 129.8 -34.1 -8.4 0.3 218 85 B L E -h 238 0B 14 -2,-0.5 2,-0.3 19,-0.2 21,-0.1 -0.941 26.3-173.6-104.0 114.8 -36.8 -8.0 -2.4 219 86 B C + 0 0 2 19,-1.1 21,-0.3 -2,-0.7 3,-0.1 -0.843 33.6 170.8-117.4 141.8 -35.2 -5.7 -5.0 220 87 B S S S+ 0 0 40 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.370 76.0 38.7-126.5 -3.9 -36.5 -4.0 -8.1 221 88 B T S > S- 0 0 58 1,-0.1 4,-1.6 31,-0.1 -1,-0.1 -0.947 80.7-116.0-137.4 165.4 -33.4 -1.7 -8.7 222 89 B E H > S+ 0 0 76 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.891 116.6 59.1 -65.2 -38.1 -29.7 -2.0 -8.4 223 90 B Y H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 103.5 52.4 -55.9 -45.9 -29.8 0.7 -5.8 224 91 B D H > S+ 0 0 6 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.929 111.7 45.0 -51.7 -52.0 -32.1 -1.6 -3.7 225 92 B A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.884 111.3 53.5 -65.0 -39.1 -29.6 -4.4 -4.0 226 93 B E H X S+ 0 0 65 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.928 114.9 41.0 -58.1 -46.5 -26.7 -2.1 -3.2 227 94 B M H X>S+ 0 0 17 -4,-2.6 4,-2.8 1,-0.2 5,-1.4 0.930 105.9 63.4 -72.4 -44.1 -28.5 -1.0 -0.0 228 95 B A H <5S+ 0 0 0 -4,-3.6 6,-2.2 -5,-0.2 4,-0.2 0.848 116.4 31.5 -44.0 -42.5 -29.7 -4.5 0.9 229 96 B R H X5S+ 0 0 27 -4,-1.6 4,-1.7 4,-0.3 33,-0.3 0.954 121.8 45.4 -82.5 -59.8 -26.0 -5.5 1.3 230 97 B K H <5S+ 0 0 9 -4,-2.4 32,-1.7 31,-0.2 -3,-0.2 0.895 132.5 18.6 -55.5 -44.7 -24.3 -2.3 2.5 231 98 B H T <5S+ 0 0 107 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.808 134.8 33.0 -97.7 -34.9 -27.0 -1.4 5.1 232 99 B N T 4> -g 198 0B 1 -40,-0.4 4,-2.1 -2,-0.4 3,-0.9 -0.871 11.6-171.3-102.0 104.8 -40.0 -11.7 -9.2 241 108 B G T 34 S+ 0 0 34 -43,-2.7 -42,-0.2 -2,-0.8 -1,-0.2 0.796 90.2 52.7 -58.2 -30.4 -39.9 -13.3 -12.6 242 109 B R T 34 S+ 0 0 71 -43,-2.6 -1,-0.2 -44,-0.6 -42,-0.2 0.663 121.1 32.1 -79.2 -12.4 -43.4 -12.1 -13.3 243 110 B T T <4 S+ 0 0 50 -3,-0.9 2,-0.4 -44,-0.7 -2,-0.2 0.595 108.9 60.8-121.7 -17.7 -42.5 -8.5 -12.4 244 111 B T S < S- 0 0 18 -4,-2.1 -1,-0.1 4,-0.0 -24,-0.0 -0.954 76.3-121.6-122.2 130.5 -38.8 -7.9 -13.4 245 112 B G > - 0 0 40 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.317 29.9-114.3 -62.3 152.5 -37.2 -8.1 -16.8 246 113 B P H > S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.879 114.9 49.1 -55.9 -46.0 -34.3 -10.6 -17.1 247 114 B E H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.889 113.8 47.4 -68.2 -36.7 -31.6 -8.0 -17.8 248 115 B V H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 111.1 50.1 -67.1 -44.1 -32.8 -6.0 -14.8 249 116 B A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.922 112.0 50.9 -57.5 -43.7 -32.9 -9.1 -12.6 250 117 B A H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.903 110.7 45.7 -61.2 -41.6 -29.3 -9.8 -13.9 251 118 B S H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.872 113.9 50.0 -75.6 -28.9 -28.0 -6.3 -13.0 252 119 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.953 112.8 47.1 -65.9 -48.5 -29.8 -6.5 -9.6 253 120 B L H X S+ 0 0 4 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.923 110.7 52.7 -53.8 -50.2 -28.2 -9.9 -9.0 254 121 B S H X S+ 0 0 62 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.922 112.2 44.1 -57.2 -48.8 -24.7 -8.6 -10.1 255 122 B R H X S+ 0 0 81 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.862 111.5 53.4 -65.3 -38.6 -24.9 -5.7 -7.7 256 123 B F H < S+ 0 0 3 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.926 110.5 47.9 -59.5 -44.6 -26.1 -7.8 -4.8 257 124 B L H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.8 42.0 -71.8 -28.0 -23.3 -10.3 -5.3 258 125 B S H < S+ 0 0 69 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.2 0.574 91.1 95.8 -99.1 -10.2 -20.5 -7.6 -5.4 259 126 B T < - 0 0 23 -4,-1.3 2,-0.2 -3,-0.2 -32,-0.0 -0.690 63.1-147.3 -86.5 128.2 -21.6 -5.3 -2.7 260 127 B N - 0 0 126 -2,-0.4 2,-0.3 1,-0.1 -27,-0.1 -0.627 20.2-109.2 -88.4 153.0 -20.0 -5.8 0.7 261 128 B F 0 0 102 -2,-0.2 -31,-0.2 1,-0.1 -30,-0.1 -0.597 360.0 360.0 -75.9 140.0 -21.8 -5.2 4.0 262 129 B E 0 0 170 -32,-1.7 -1,-0.1 -33,-0.3 -32,-0.0 -0.515 360.0 360.0 -75.7 360.0 -20.5 -2.1 6.0