==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-11 3SGG . COMPND 2 MOLECULE: HYPOTHETICAL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 512 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.8 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 . 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 . 1 0.2 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 . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 1 2 1 2 2 4 0 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 5 3 2 3 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 1 0 0 0 0 1 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 46 A D 0 0 122 0, 0.0 3,-0.1 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 -49.0 49.3 19.5 -12.8 2 47 A G + 0 0 80 1,-0.4 2,-0.3 50,-0.0 93,-0.0 0.674 360.0 127.1 74.2 21.1 52.6 21.3 -13.0 3 48 A L - 0 0 48 49,-0.1 -1,-0.4 50,-0.1 2,-0.3 -0.839 66.1-121.1-110.4 149.0 53.3 19.0 -10.1 4 49 A I - 0 0 55 47,-2.6 16,-0.0 -2,-0.3 46,-0.0 -0.710 41.6 -98.5 -84.4 140.0 56.1 16.6 -9.6 5 50 A D > - 0 0 90 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.378 27.4-134.2 -58.6 130.0 55.0 12.9 -9.2 6 51 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.724 103.6 64.1 -63.8 -17.9 55.0 12.2 -5.4 7 52 A A T 3 S+ 0 0 77 2,-0.1 -2,-0.1 117,-0.0 3,-0.1 0.656 78.8 100.7 -77.6 -17.5 56.8 8.9 -6.1 8 53 A E S < S- 0 0 93 -3,-1.9 -4,-0.0 1,-0.1 0, 0.0 -0.508 84.1-109.1 -66.7 133.5 59.9 10.8 -7.4 9 54 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.287 32.1-111.0 -60.9 149.5 62.6 11.0 -4.8 10 55 A L - 0 0 19 1,-0.1 2,-0.2 179,-0.1 9,-0.1 -0.411 32.3-108.3 -68.6 153.3 63.4 14.3 -3.1 11 56 A D E -A 18 0A 91 7,-0.6 7,-2.4 -2,-0.1 2,-0.4 -0.480 33.0-145.7 -73.2 157.5 66.7 16.0 -3.8 12 57 A R E -A 17 0A 106 5,-0.3 5,-0.3 -2,-0.2 2,-0.0 -0.963 4.8-143.8-124.8 142.1 69.2 16.1 -1.1 13 58 A G - 0 0 26 3,-3.1 -1,-0.1 -2,-0.4 5,-0.1 0.002 61.0 -70.6 -73.3-163.1 71.8 18.7 -0.1 14 59 A F S S+ 0 0 82 1,-0.1 3,-0.1 356,-0.1 356,-0.1 0.865 130.7 5.5 -60.6 -31.1 75.1 17.4 1.1 15 60 A X S S+ 0 0 5 1,-0.2 2,-0.3 303,-0.1 -1,-0.1 0.775 121.6 47.0-118.7 -44.7 73.3 16.3 4.3 16 61 A H S S- 0 0 1 302,-0.1 -3,-3.1 1,-0.0 -1,-0.2 -0.770 74.0-105.8-120.3 150.3 69.5 16.7 4.2 17 62 A L E -A 12 0A 10 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.437 40.2-160.7 -64.1 139.2 66.4 16.1 2.1 18 63 A K E -A 11 0A 10 -7,-2.4 -7,-0.6 -2,-0.1 237,-0.2 -0.916 14.6-113.3-127.5 147.6 65.1 19.4 0.6 19 64 A G - 0 0 0 232,-0.6 31,-0.2 -2,-0.3 3,-0.1 -0.134 52.8 -67.1 -73.4 173.2 61.7 20.3 -0.9 20 65 A R S S- 0 0 17 29,-2.6 -1,-0.2 32,-0.3 3,-0.1 -0.353 77.2 -75.1 -62.8 142.5 61.0 21.2 -4.5 21 66 A E - 0 0 105 1,-0.1 235,-0.2 -3,-0.1 -1,-0.2 -0.077 57.6-110.2 -54.7 128.8 62.7 24.4 -5.4 22 67 A L + 0 0 7 233,-2.5 32,-0.2 1,-0.2 -1,-0.1 -0.342 49.5 155.3 -66.5 131.2 60.8 27.3 -3.9 23 68 A K + 0 0 126 30,-2.7 2,-0.3 1,-0.4 31,-0.2 0.565 65.3 9.9-123.2 -30.7 58.9 29.5 -6.3 24 69 A S E -b 54 0B 31 29,-2.3 31,-2.7 53,-0.2 -1,-0.4 -0.986 60.5-141.5-154.3 147.5 56.0 31.1 -4.3 25 70 A L E -bc 55 79B 0 53,-2.5 55,-3.3 -2,-0.3 2,-0.6 -0.966 2.0-161.7-117.9 133.6 55.0 31.4 -0.7 26 71 A N E -bc 56 80B 0 29,-2.7 31,-2.8 -2,-0.4 2,-0.4 -0.947 23.7-163.5-113.1 99.6 51.4 31.2 0.7 27 72 A S E +bc 57 81B 5 53,-2.6 55,-2.7 -2,-0.6 2,-0.4 -0.762 13.3 175.5 -97.8 137.3 51.7 32.7 4.1 28 73 A I E -bc 58 82B 4 29,-2.3 31,-2.9 -2,-0.4 2,-0.2 -0.991 29.2-115.5-143.1 140.0 49.1 32.4 6.9 29 74 A S E -b 59 0B 59 53,-0.6 31,-0.2 -2,-0.4 29,-0.0 -0.526 10.4-141.4 -77.9 145.8 49.0 33.5 10.4 30 75 A I > + 0 0 25 29,-1.3 3,-1.5 -2,-0.2 -1,-0.1 0.661 67.3 114.9 -74.6 -18.7 48.9 31.0 13.2 31 76 A T T 3 S+ 0 0 115 28,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.277 79.2 10.3 -67.1 132.8 46.5 33.2 15.2 32 77 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.0 -1,-0.2 0.512 92.3 125.9 83.3 4.3 43.0 31.9 15.8 33 78 A L < - 0 0 22 -3,-1.5 -1,-0.3 1,-0.0 2,-0.1 -0.785 51.4-137.1 -92.1 140.2 43.6 28.3 14.6 34 79 A N > - 0 0 79 -2,-0.4 4,-2.0 -3,-0.1 5,-0.2 -0.283 35.3 -90.1 -83.8 177.4 42.8 25.3 16.9 35 80 A D H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.899 126.0 48.1 -56.5 -47.4 45.0 22.3 17.4 36 81 A G H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 109.3 52.8 -61.8 -41.5 43.4 20.3 14.5 37 82 A E H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 106.4 54.9 -63.2 -36.7 43.7 23.2 12.1 38 83 A K H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.865 108.4 47.8 -62.6 -35.7 47.4 23.4 13.0 39 84 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 90,-0.4 0.909 111.1 50.9 -73.1 -43.8 47.8 19.7 12.0 40 85 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.947 112.7 47.5 -53.1 -49.1 45.9 20.3 8.8 41 86 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 113.5 44.9 -65.5 -43.6 48.1 23.2 8.0 42 87 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.924 114.5 47.6 -71.2 -39.8 51.5 21.6 8.8 43 88 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.912 111.2 53.1 -67.9 -35.2 50.7 18.3 6.9 44 89 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.920 105.1 54.0 -59.7 -46.6 49.5 20.4 4.0 45 90 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.901 109.5 48.8 -56.5 -41.7 52.8 22.3 4.0 46 91 A G H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.885 108.4 54.0 -67.1 -36.7 54.5 18.9 3.7 47 92 A L H >X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.948 111.5 44.5 -55.6 -52.6 52.2 17.8 0.9 48 93 A A H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-1.4 0.920 106.3 58.3 -63.1 -45.1 53.1 20.9 -1.1 49 94 A A H 3< S+ 0 0 0 -4,-2.3 -29,-2.6 1,-0.3 -1,-0.2 0.765 103.9 54.5 -65.0 -23.3 56.8 20.8 -0.6 50 95 A R H << S+ 0 0 20 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.772 123.3 21.8 -76.5 -23.8 57.1 17.3 -2.1 51 96 A V H << S+ 0 0 4 -3,-1.4 -47,-2.6 -4,-0.7 2,-0.3 0.515 120.3 27.6-125.6 -10.4 55.4 18.2 -5.4 52 97 A T < - 0 0 23 -4,-2.3 -32,-0.3 -49,-0.2 -1,-0.2 -0.994 56.6-130.4-153.7 157.6 55.6 21.9 -6.1 53 98 A G S S+ 0 0 10 -2,-0.3 -30,-2.7 -31,-0.1 -29,-2.3 0.427 88.4 95.0 -83.3 -3.2 57.5 25.1 -5.5 54 99 A D E +b 24 0B 27 -31,-0.2 2,-0.2 -6,-0.2 -29,-0.2 -0.797 68.0 174.2 -90.7 94.5 54.2 26.8 -4.5 55 100 A Q E -b 25 0B 0 -31,-2.7 -29,-2.7 -2,-1.0 2,-0.3 -0.582 32.1-112.3-118.0 166.0 54.6 26.3 -0.8 56 101 A V E -b 26 0B 0 -11,-0.2 2,-0.4 -31,-0.2 -29,-0.2 -0.723 20.1-165.1 -97.0 141.4 53.0 27.1 2.6 57 102 A Y E -b 27 0B 1 -31,-2.8 -29,-2.3 -2,-0.3 2,-0.8 -0.986 11.6-150.0-128.3 128.1 54.5 29.4 5.3 58 103 A I E -b 28 0B 1 -2,-0.4 2,-0.8 -31,-0.2 -29,-0.2 -0.826 18.1-155.3 -92.6 105.1 53.2 29.4 8.8 59 104 A N E +b 29 0B 36 -31,-2.9 -29,-1.3 -2,-0.8 -28,-0.3 -0.797 25.2 167.3 -93.4 108.2 53.8 33.0 10.0 60 105 A E - 0 0 56 -2,-0.8 -1,-0.1 1,-0.3 -31,-0.1 0.251 46.0-124.7 -97.9 7.1 54.0 33.2 13.7 61 106 A G S > S+ 0 0 22 1,-0.2 3,-1.8 2,-0.1 4,-0.4 -0.197 78.3 56.3 73.9-172.8 55.4 36.7 13.7 62 107 A G T >> S+ 0 0 48 1,-0.3 4,-1.4 2,-0.2 3,-1.1 -0.193 126.4 0.8 56.9-135.3 58.7 37.6 15.4 63 108 A P H 3> S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.842 131.8 61.9 -54.6 -34.6 61.6 35.5 14.1 64 109 A S H <> S+ 0 0 5 -3,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.865 103.2 49.9 -59.5 -37.4 59.2 33.7 11.7 65 110 A S H <> S+ 0 0 38 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.2 0.850 105.8 57.8 -69.3 -35.1 58.4 37.0 10.0 66 111 A V H X S+ 0 0 38 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.947 107.3 45.8 -60.5 -48.1 62.2 37.7 9.7 67 112 A W H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.889 111.9 52.2 -66.0 -34.6 62.7 34.5 7.7 68 113 A L H X S+ 0 0 11 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.960 112.1 44.8 -64.2 -48.1 59.7 35.2 5.4 69 114 A K H X S+ 0 0 106 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.862 109.5 56.9 -66.3 -35.3 61.0 38.7 4.6 70 115 A Q H X>S+ 0 0 17 -4,-2.5 4,-2.8 -5,-0.2 5,-0.5 0.918 108.3 46.8 -59.8 -46.4 64.5 37.4 4.1 71 116 A X H X5S+ 0 0 0 -4,-2.1 6,-1.5 2,-0.2 4,-1.3 0.920 114.4 48.0 -63.0 -38.6 63.2 34.9 1.4 72 117 A Q H X5S+ 0 0 53 -4,-2.2 4,-0.7 4,-0.2 -2,-0.2 0.945 120.9 35.1 -63.0 -48.6 61.1 37.6 -0.2 73 118 A N H <5S+ 0 0 116 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.894 125.2 34.9 -82.0 -41.4 63.9 40.1 -0.3 74 119 A K H <5S+ 0 0 93 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.751 130.6 29.1 -86.4 -25.1 67.1 38.0 -0.9 75 120 A Y H < S- 0 0 43 1,-0.1 4,-0.9 -51,-0.0 -1,-0.1 -0.981 73.9-117.4-161.8 156.1 42.0 32.1 6.8 85 130 A L H > S+ 0 0 6 -2,-0.3 4,-2.7 1,-0.2 3,-0.3 0.892 102.8 66.6 -66.4 -41.4 42.7 28.4 6.5 86 131 A A H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 102.9 43.1 -55.1 -50.2 39.7 27.6 4.3 87 132 A P H > S+ 0 0 54 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.840 113.3 53.6 -68.7 -26.7 40.9 29.5 1.2 88 133 A L H X S+ 0 0 0 -4,-0.9 4,-1.5 -3,-0.3 -2,-0.2 0.940 111.1 45.0 -68.2 -46.4 44.4 28.2 1.6 89 134 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.934 112.1 52.9 -61.0 -45.8 43.1 24.6 1.7 90 135 A Q H X S+ 0 0 68 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.891 103.8 57.1 -58.8 -40.7 40.9 25.3 -1.3 91 136 A H H X S+ 0 0 42 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.917 108.8 45.6 -53.0 -45.3 43.9 26.7 -3.2 92 137 A Y H <>S+ 0 0 0 -4,-1.5 6,-2.0 -3,-0.3 5,-1.4 0.687 109.3 54.8 -80.9 -17.8 45.7 23.4 -2.8 93 138 A V H ><5S+ 0 0 40 -4,-1.7 3,-1.3 4,-0.2 -2,-0.2 0.940 111.2 46.3 -67.9 -47.9 42.5 21.4 -3.7 94 139 A E H 3<5S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.845 109.9 52.0 -65.1 -36.6 42.4 23.4 -7.0 95 140 A T T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.522 115.6-113.8 -81.0 -4.1 46.1 23.0 -7.8 96 141 A G T < 5S+ 0 0 19 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.532 84.5 115.1 92.3 6.9 45.8 19.2 -7.3 97 142 A V < + 0 0 2 -5,-1.4 2,-0.6 -6,-0.2 -4,-0.2 0.928 64.4 61.8 -78.6 -44.5 48.0 18.8 -4.3 98 143 A I + 0 0 11 -6,-2.0 29,-0.2 -9,-0.2 -2,-0.1 -0.748 52.4 172.8 -88.5 121.4 45.4 17.6 -1.8 99 144 A K - 0 0 121 27,-2.8 2,-0.3 -2,-0.6 28,-0.2 0.586 62.1 -58.4 -99.8 -12.5 43.8 14.3 -2.8 100 145 A G E -d 127 0C 0 26,-0.7 28,-1.9 44,-0.1 2,-0.3 -0.980 61.0 -71.6 164.6-162.6 41.8 13.8 0.4 101 146 A Y E -de 128 146C 10 44,-2.4 46,-3.1 -2,-0.3 47,-1.0 -0.894 18.4-144.5-126.5 158.4 42.0 13.5 4.2 102 147 A I E -de 129 148C 0 26,-2.7 28,-2.7 -2,-0.3 2,-0.4 -0.988 25.8-141.8-121.1 117.6 43.3 10.9 6.8 103 148 A V E +de 130 149C 6 45,-2.0 47,-2.9 -2,-0.5 48,-0.4 -0.659 26.0 170.5 -91.8 135.9 41.2 10.9 9.9 104 149 A Y E -d 131 0C 3 26,-1.9 28,-1.7 -2,-0.4 47,-0.2 -0.820 33.1-115.2-132.4 170.9 42.8 10.4 13.3 105 150 A T - 0 0 20 -2,-0.3 10,-0.5 45,-0.2 9,-0.3 -0.949 36.9-118.7-109.5 127.7 41.9 10.6 17.0 106 151 A P > - 0 0 25 0, 0.0 3,-2.1 0, 0.0 6,-0.6 -0.245 19.4-116.7 -65.9 155.9 43.6 13.3 19.1 107 152 A Y T 3> S+ 0 0 46 69,-0.4 4,-1.5 1,-0.3 5,-0.2 0.762 111.9 73.7 -59.4 -29.5 45.9 12.4 22.0 108 153 A S T 34 S+ 0 0 91 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.733 90.9 67.0 -57.0 -22.8 43.4 14.2 24.3 109 154 A E T X4 S- 0 0 112 -3,-2.1 3,-1.1 1,-0.1 -1,-0.2 -0.857 132.8 -33.5-103.7 100.5 41.2 11.1 23.7 110 155 A G T 34 S- 0 0 79 -2,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.690 101.4 -77.7 69.3 19.8 42.6 8.0 25.2 111 156 A Q T 3< S- 0 0 128 -4,-1.5 -1,-0.2 1,-0.2 -4,-0.2 0.811 72.5-175.6 58.7 34.7 46.3 9.0 24.7 112 157 A S < - 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0 0 76 -39,-0.2 3,-1.7 -2,-0.1 -1,-0.1 -0.179 33.1-105.8 -63.7 160.1 89.0 44.3 36.3 491 536 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -214,-0.0 -2,-0.1 0.632 118.2 57.9 -63.5 -21.7 90.9 46.8 34.0 492 537 A N T 3 S+ 0 0 69 -37,-0.1 -214,-2.1 -215,-0.1 2,-0.4 0.222 85.0 100.0 -96.2 13.8 93.4 44.1 33.0 493 538 A V E < -j 278 0E 16 -3,-1.7 2,-0.5 -216,-0.2 -214,-0.2 -0.860 56.7-159.9-101.3 133.7 90.7 41.8 31.7 494 539 A R E -j 279 0E 77 -216,-3.1 -214,-2.8 -2,-0.4 2,-0.5 -0.970 4.9-155.3-119.5 120.7 90.2 41.6 27.9 495 540 A V E +j 280 0E 36 -2,-0.5 -214,-0.2 -216,-0.2 -216,-0.1 -0.850 26.2 177.0 -94.1 124.1 87.0 40.3 26.4 496 541 A V - 0 0 12 -216,-2.8 -214,-0.4 -2,-0.5 -159,-0.0 -0.862 34.0 -92.1-130.8 158.1 87.6 39.0 22.9 497 542 A P > - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.344 44.7-108.1 -67.0 158.0 85.7 37.3 20.1 498 543 A V H > S+ 0 0 0 -161,-0.3 4,-2.2 1,-0.2 5,-0.1 0.843 117.5 52.2 -57.4 -40.8 85.9 33.5 20.0 499 544 A D H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 109.6 49.2 -68.4 -36.6 88.2 33.3 17.0 500 545 A Q H > S+ 0 0 67 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.902 108.3 54.3 -62.8 -42.7 90.6 35.7 18.6 501 546 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 108.4 50.0 -56.9 -45.5 90.6 33.7 21.8 502 547 A V H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.914 111.9 46.6 -60.9 -44.5 91.5 30.5 19.8 503 548 A Q H X S+ 0 0 25 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.877 111.9 50.7 -67.7 -39.6 94.4 32.2 18.0 504 549 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.936 113.1 46.5 -61.0 -46.6 95.7 33.7 21.3 505 550 A V H X>S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.6 0.927 113.8 48.6 -60.1 -44.8 95.6 30.3 22.9 506 551 A K H X5S+ 0 0 91 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.950 116.5 40.3 -64.2 -47.0 97.2 28.6 19.9 507 552 A Q H <5S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 123.7 37.9 -78.7 -27.9 100.1 31.1 19.6 508 553 A N H <5S+ 0 0 29 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.795 133.1 19.3 -88.8 -31.0 100.8 31.5 23.4 509 554 A L H <5S+ 0 0 42 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.535 103.8 85.8-119.0 -13.5 100.2 27.9 24.6 510 555 A G S <