==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SACCHARIDE BINDING PROTEIN 11-MAY-10 3MYV . COMPND 2 MOLECULE: SUSD SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 889 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 6.7 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 . 5 0.6 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 . 1 0.1 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 . 36 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 1 2 2 4 0 0 0 2 0 2 4 0 0 8 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 36 A F 0 0 110 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 78.4 22.7 15.6 24.0 2 37 A R + 0 0 47 1,-0.1 88,-2.7 87,-0.1 2,-0.3 0.703 360.0 28.6-106.7 -32.0 25.5 15.0 26.6 3 38 A T S > S- 0 0 37 86,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.837 77.2-109.1-130.1 165.3 26.7 18.6 27.5 4 39 A V H > S+ 0 0 8 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.850 121.1 58.3 -58.3 -35.0 25.6 22.2 27.6 5 40 A T H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 102.9 51.9 -61.5 -44.9 27.9 22.7 24.5 6 41 A D H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 110.1 49.8 -55.6 -41.2 25.9 20.0 22.7 7 42 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.922 108.0 51.9 -65.4 -43.5 22.8 22.0 23.6 8 43 A D H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.912 111.3 48.6 -58.4 -44.0 24.3 25.3 22.3 9 44 A N H X S+ 0 0 99 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.882 110.0 50.5 -64.0 -40.6 25.1 23.6 19.0 10 45 A A H X S+ 0 0 27 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.922 111.4 48.7 -61.8 -44.2 21.6 22.2 18.7 11 46 A V H >X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-1.0 0.945 107.6 55.0 -64.5 -43.3 20.1 25.7 19.4 12 47 A N H >X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.3 3,-0.5 0.884 102.3 58.3 -51.9 -42.9 22.5 27.1 16.8 13 48 A G H 3X S+ 0 0 24 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.772 96.0 62.7 -60.6 -30.7 21.0 24.6 14.2 14 49 A L H < S+ 0 0 44 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.884 110.5 53.8 -64.2 -39.6 17.2 26.1 9.6 18 53 A X H 3< S+ 0 0 0 -4,-1.9 6,-2.1 1,-0.3 7,-0.4 0.810 98.1 64.7 -67.7 -27.7 15.4 29.4 10.0 19 54 A S T 3< S+ 0 0 22 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.510 74.9 120.4 -74.7 -5.3 17.8 31.2 7.6 20 55 A G S X >S- 0 0 17 -3,-1.3 5,-2.7 -4,-0.2 3,-2.2 -0.265 77.2-118.6 -62.0 148.8 16.6 29.1 4.7 21 56 A S T 3 5S+ 0 0 34 4,-0.3 6,-2.6 1,-0.3 5,-0.3 0.785 113.0 66.7 -61.8 -23.5 15.2 31.1 1.8 22 57 A G T 3 5S+ 0 0 9 4,-0.2 43,-2.4 42,-0.2 -1,-0.3 0.590 120.0 10.7 -70.0 -14.5 11.9 29.3 2.4 23 58 A Y T X >S- 0 0 0 -3,-2.2 5,-2.5 -5,-0.2 3,-1.0 0.207 139.8 -7.4-127.7-104.6 11.5 31.0 5.8 24 59 A Y T 3 5S+ 0 0 6 -6,-2.1 -5,-0.2 1,-0.2 -3,-0.2 0.472 118.9 73.6 -86.2 0.7 13.6 34.0 7.1 25 60 A G T 3 5S+ 0 0 2 -3,-1.0 4,-2.1 -6,-0.5 3,-1.0 0.184 119.9 78.5-171.0 -53.7 13.4 35.4 2.0 27 62 A A H 3>5S+ 0 0 0 -6,-2.6 4,-2.3 1,-0.3 -3,-0.2 0.817 92.3 55.6 -55.7 -40.2 9.8 34.0 2.0 28 63 A X H 3> S+ 0 0 7 -3,-1.0 4,-2.4 -6,-0.4 5,-0.5 0.894 109.9 53.2 -79.2 -41.5 9.5 39.1 3.8 30 65 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.4 0.915 112.5 48.1 -54.0 -43.0 8.0 38.4 0.4 31 66 A Y H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.966 115.0 41.8 -66.6 -52.2 4.8 37.5 2.2 32 67 A G H < S+ 0 0 0 -4,-2.4 357,-2.7 -5,-0.2 358,-0.2 0.779 125.7 32.1 -66.4 -33.6 4.7 40.5 4.5 33 68 A D H >< S+ 0 0 2 -4,-2.4 3,-1.3 355,-0.2 6,-0.8 0.863 114.2 53.3 -92.8 -45.0 5.7 43.1 1.9 34 69 A X H 3< S+ 0 0 0 -4,-2.1 7,-0.2 -5,-0.5 -3,-0.2 0.761 107.8 53.7 -69.6 -21.3 4.3 41.8 -1.4 35 70 A K T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.1 0.499 102.4 72.0 -88.2 -9.1 0.8 41.5 0.0 36 71 A G S < S- 0 0 0 -3,-1.3 -3,-0.1 3,-0.1 353,-0.1 0.015 94.7-103.5 -84.1-160.2 0.7 45.1 1.2 37 72 A D S S+ 0 0 16 1,-0.1 237,-0.3 3,-0.0 236,-0.2 0.372 106.3 65.0-107.8 -0.4 0.4 48.3 -0.7 38 73 A D S S+ 0 0 3 -5,-0.3 233,-1.9 1,-0.1 2,-0.3 0.642 102.2 36.3-105.2 -17.6 4.1 49.5 -0.6 39 74 A X E -A 270 0A 0 -6,-0.8 2,-0.3 231,-0.3 231,-0.2 -0.967 63.7-179.0-132.8 151.4 5.8 46.8 -2.6 40 75 A Q E -A 269 0A 2 229,-2.7 229,-2.5 -2,-0.3 2,-0.1 -0.955 29.0 -97.2-141.8 162.0 4.8 44.8 -5.6 41 76 A S E -A 268 0A 0 -2,-0.3 227,-0.3 227,-0.2 2,-0.1 -0.377 26.4-139.3 -69.8 152.7 6.1 42.1 -7.9 42 77 A S - 0 0 0 225,-2.0 -1,-0.1 2,-0.1 225,-0.1 -0.291 47.2 -84.0 -85.0-166.1 7.8 42.7 -11.2 43 78 A E S S+ 0 0 109 -2,-0.1 224,-0.1 223,-0.1 -2,-0.0 0.610 97.4 112.9 -76.2 -11.2 7.0 40.4 -14.2 44 79 A E - 0 0 36 222,-0.4 -2,-0.1 1,-0.1 5,-0.1 -0.280 68.6-119.4 -65.5 147.8 9.5 37.9 -12.9 45 80 A S + 0 0 92 4,-0.1 2,-0.2 3,-0.1 3,-0.2 -0.323 61.7 67.8 -79.1 166.5 8.3 34.6 -11.6 46 81 A G S > S- 0 0 37 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.731 95.0 -32.4 120.4-165.1 8.7 33.2 -8.0 47 82 A V H > S+ 0 0 34 -2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.832 128.4 54.1 -67.4 -34.5 7.7 33.8 -4.4 48 83 A C H > S+ 0 0 2 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 112.8 45.9 -60.3 -43.9 7.4 37.6 -4.7 49 84 A N H > S+ 0 0 34 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.941 113.6 45.1 -67.1 -49.8 5.0 37.1 -7.7 50 85 A T H <>S+ 0 0 19 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.903 115.7 48.7 -66.9 -39.1 2.8 34.4 -6.2 51 86 A C H ><5S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.960 113.2 47.1 -61.6 -48.7 2.6 36.3 -2.8 52 87 A Y H 3<5S+ 0 0 0 -4,-2.6 359,-0.4 -5,-0.3 -2,-0.2 0.905 117.9 42.0 -57.4 -42.7 1.7 39.6 -4.7 53 88 A X T 3<5S- 0 0 45 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.356 105.4-127.0 -86.6 5.6 -0.9 37.8 -6.8 54 89 A F T < 5 + 0 0 0 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.861 50.9 162.9 43.9 41.1 -2.3 35.7 -3.9 55 90 A N < + 0 0 75 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.709 16.3 136.2 -92.3 86.2 -1.7 32.7 -6.1 56 91 A H + 0 0 9 -2,-1.3 5,-0.2 -3,-0.1 6,-0.1 -0.996 24.8 173.7-134.9 139.3 -1.8 29.9 -3.5 57 92 A R B > -D 60 0B 114 3,-1.8 3,-1.9 -2,-0.4 370,-0.1 -0.978 43.7-107.1-146.3 159.3 -3.4 26.5 -3.5 58 93 A P T 3 S+ 0 0 13 0, 0.0 369,-2.5 0, 0.0 370,-0.3 0.847 119.9 44.4 -55.7 -35.3 -3.5 23.4 -1.3 59 94 A N T 3 S+ 0 0 97 1,-0.3 2,-0.1 367,-0.2 366,-0.0 0.463 130.8 22.8 -87.8 1.3 -1.4 21.3 -3.7 60 95 A S B < -D 57 0B 38 -3,-1.9 -3,-1.8 1,-0.1 -1,-0.3 -0.577 64.4-172.7-164.2 89.1 1.1 24.2 -4.3 61 96 A L - 0 0 26 -3,-0.3 -2,-0.1 -5,-0.2 4,-0.1 0.842 19.6-154.7 -59.6 -31.9 1.2 26.8 -1.5 62 97 A N + 0 0 43 2,-0.2 -7,-0.1 -6,-0.1 -1,-0.1 0.922 62.2 109.6 55.2 46.9 3.6 29.0 -3.6 63 98 A A S > S- 0 0 1 1,-0.5 3,-1.8 -13,-0.1 4,-0.1 -0.278 84.7-110.6-147.2 50.1 4.8 30.5 -0.4 64 99 A G T 3 S- 0 0 50 1,-0.2 -1,-0.5 2,-0.1 -2,-0.2 -0.369 74.9 -42.6 59.4-126.8 8.4 29.3 0.1 65 100 A S T 3> S+ 0 0 49 -43,-2.4 4,-2.6 -2,-0.1 -1,-0.2 -0.189 87.1 139.4-122.8 37.4 8.4 26.8 3.1 66 101 A L T <4 S+ 0 0 6 -3,-1.8 52,-0.1 1,-0.2 -2,-0.1 0.658 80.0 33.6 -69.4 -12.7 6.2 28.9 5.4 67 102 A W T > S+ 0 0 25 -4,-0.1 4,-1.6 -3,-0.1 -1,-0.2 0.836 123.6 39.8 -94.0 -62.3 4.4 25.7 6.5 68 103 A G H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.845 113.1 49.9 -58.6 -43.5 7.1 23.1 6.4 69 104 A R H X S+ 0 0 71 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.959 110.8 46.0 -72.3 -46.2 10.1 24.9 7.8 70 105 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 115.2 49.8 -62.6 -33.6 8.6 26.5 10.9 71 106 A F H X S+ 0 0 33 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.896 109.7 50.6 -68.5 -38.4 7.1 23.1 11.7 72 107 A Y H X S+ 0 0 116 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 111.3 48.3 -62.6 -44.8 10.4 21.3 11.2 73 108 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.911 108.2 54.8 -62.6 -42.6 12.1 23.8 13.5 74 109 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.897 107.9 49.7 -57.8 -42.6 9.3 23.3 16.2 75 110 A R H X S+ 0 0 99 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.934 113.6 44.5 -61.2 -48.9 10.0 19.6 16.2 76 111 A E H X S+ 0 0 64 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.892 112.6 53.4 -64.3 -37.3 13.7 20.0 16.6 77 112 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.914 108.1 48.7 -63.2 -45.3 13.2 22.7 19.3 78 113 A W H X S+ 0 0 48 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.834 105.4 58.7 -66.8 -30.4 10.9 20.4 21.3 79 114 A N H X S+ 0 0 65 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.900 107.4 48.5 -62.1 -36.4 13.5 17.6 21.0 80 115 A I H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.953 111.8 47.1 -66.5 -50.7 16.0 20.1 22.7 81 116 A L H X S+ 0 0 23 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.908 112.0 51.4 -59.5 -42.1 13.5 21.0 25.5 82 117 A N H X S+ 0 0 47 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.914 107.8 51.2 -64.0 -44.3 12.7 17.3 26.1 83 118 A A H <>S+ 0 0 10 -4,-2.1 5,-2.1 2,-0.2 4,-0.3 0.944 113.6 45.9 -55.2 -48.2 16.4 16.3 26.4 84 119 A I H ><5S+ 0 0 28 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.933 113.1 48.8 -61.2 -47.2 16.9 19.1 29.0 85 120 A A H 3<5S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.5 57.5 -65.0 -28.7 13.7 18.2 30.9 86 121 A E T 3<5S- 0 0 147 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.473 114.9-113.0 -83.5 -0.1 14.8 14.5 31.0 87 122 A G T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.711 70.5 141.2 77.8 22.7 18.1 15.3 32.7 88 123 A K < + 0 0 50 -5,-2.1 2,-0.3 -6,-0.2 -4,-0.1 0.712 44.8 86.1 -70.1 -20.3 20.2 14.3 29.7 89 124 A I S S- 0 0 22 -6,-0.3 -86,-0.2 -5,-0.2 -87,-0.1 -0.661 83.1-110.4 -93.0 136.8 22.8 17.1 30.1 90 125 A E - 0 0 132 -88,-2.7 3,-0.4 -2,-0.3 -86,-0.2 -0.236 40.0-110.0 -53.0 146.6 25.9 17.0 32.4 91 126 A S S S+ 0 0 122 1,-0.2 -87,-0.1 -88,-0.1 -1,-0.1 -0.093 81.6 62.1 -73.5 170.5 25.9 19.2 35.5 92 127 A G S S+ 0 0 75 -88,-0.0 3,-0.2 1,-0.0 -1,-0.2 -0.033 85.8 68.3 112.6 -29.1 27.9 22.3 36.2 93 128 A D > + 0 0 85 -3,-0.4 4,-1.8 1,-0.2 3,-0.3 -0.271 59.2 144.3-116.5 47.1 27.0 25.0 33.6 94 129 A E H > + 0 0 155 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.734 60.2 56.0 -69.0 -33.8 23.5 25.6 34.8 95 130 A K H > S+ 0 0 192 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 112.0 45.2 -65.6 -45.7 23.0 29.3 34.2 96 131 A K H > S+ 0 0 81 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.893 109.8 54.6 -63.8 -40.7 23.9 28.9 30.5 97 132 A L H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.901 108.5 49.9 -59.6 -41.0 21.7 25.8 30.1 98 133 A N H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.878 109.6 50.8 -63.6 -40.8 18.8 27.8 31.5 99 134 A A H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 111.4 48.2 -61.6 -43.6 19.6 30.6 29.0 100 135 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.889 109.4 52.7 -65.9 -39.4 19.6 28.1 26.2 101 136 A K H X S+ 0 0 69 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.953 111.9 46.2 -59.0 -49.8 16.3 26.6 27.4 102 137 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.892 111.8 51.0 -58.1 -41.8 14.7 30.1 27.3 103 138 A E H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 107.9 52.4 -66.8 -42.1 16.2 30.8 23.9 104 139 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.899 109.0 50.5 -58.3 -41.8 14.7 27.5 22.5 105 140 A X H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.862 107.2 54.1 -64.5 -36.7 11.3 28.5 23.9 106 141 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 107.9 50.1 -63.0 -44.0 11.7 31.9 22.1 107 142 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.942 110.5 50.1 -56.0 -46.4 12.4 30.1 18.8 108 143 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.930 110.2 50.0 -59.8 -44.6 9.3 28.0 19.4 109 144 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.921 111.3 48.3 -62.6 -44.3 7.2 31.1 20.1 110 145 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.951 113.2 47.4 -61.3 -47.2 8.4 32.8 16.9 111 146 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.939 114.6 45.3 -60.2 -49.9 7.7 29.8 14.7 112 147 A Q H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.887 111.8 53.6 -64.3 -36.1 4.3 29.2 16.1 113 148 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.949 109.0 47.9 -62.3 -47.5 3.5 32.9 15.8 114 149 A D H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.942 111.6 50.2 -60.1 -45.9 4.4 33.0 12.2 115 150 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.869 111.1 51.2 -56.2 -38.2 2.3 29.9 11.5 116 151 A T H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 112.6 42.7 -69.8 -46.0 -0.6 31.6 13.3 117 152 A R H < S+ 0 0 22 -4,-2.7 -1,-0.2 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5,-0.2 0.863 123.5 37.8 -85.6 -61.1 31.7 32.6 -48.2 514 103 B G H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.831 112.9 51.1 -67.4 -41.2 31.1 28.9 -48.1 515 104 B R H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.940 110.7 45.9 -70.8 -45.7 27.6 28.6 -46.5 516 105 B P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.926 115.7 48.3 -62.7 -40.2 25.8 31.1 -48.7 517 106 B F H X S+ 0 0 19 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.908 110.1 51.8 -62.6 -41.0 27.4 29.5 -51.8 518 107 B Y H X S+ 0 0 121 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.940 112.0 46.6 -58.4 -46.9 26.4 26.0 -50.6 519 108 B I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.896 107.6 57.0 -62.6 -42.3 22.8 27.2 -50.1 520 109 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 108.7 46.0 -55.4 -44.9 22.7 28.8 -53.5 521 110 B R H X S+ 0 0 63 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.903 113.2 49.2 -69.7 -39.6 23.7 25.5 -55.2 522 111 B E H X S+ 0 0 72 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.885 111.4 50.3 -62.7 -41.6 21.1 23.6 -53.2 523 112 B A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.903 107.2 53.7 -66.1 -38.5 18.4 26.2 -54.0 524 113 B W H X S+ 0 0 45 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.867 103.1 57.4 -66.7 -32.5 19.2 25.9 -57.8 525 114 B N H X S+ 0 0 71 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.889 107.5 48.5 -60.1 -40.1 18.8 22.1 -57.6 526 115 B I H X S+ 0 0 5 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.957 113.0 46.9 -64.1 -49.4 15.2 22.8 -56.3 527 116 B L H X S+ 0 0 18 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.903 112.0 50.9 -59.3 -41.7 14.5 25.3 -59.1 528 117 B N H X S+ 0 0 46 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.879 108.2 50.8 -66.5 -39.7 15.9 23.1 -61.8 529 118 B A H <>S+ 0 0 10 -4,-1.9 5,-2.3 2,-0.2 6,-0.4 0.904 113.6 46.1 -61.9 -43.6 13.8 20.1 -60.7 530 119 B I H ><5S+ 0 0 26 -4,-2.0 3,-1.6 1,-0.2 5,-0.2 0.943 113.2 48.9 -62.9 -48.0 10.7 22.3 -60.8 531 120 B A H 3<5S+ 0 0 86 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.791 107.0 56.4 -63.2 -30.2 11.6 23.8 -64.2 532 121 B E T 3<5S- 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.407 114.6-116.3 -85.2 3.1 12.3 20.3 -65.6 533 122 B G T < 5S+ 0 0 62 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15.4 18.7 48.0 -35.0 829 418 B V T <<5S+ 0 0 3 -4,-0.5 -350,-0.1 -3,-0.5 -113,-0.0 -0.328 77.2 15.9 -58.0 133.3 21.7 47.4 -32.7 830 419 B G T 3 5S+ 0 0 6 -355,-0.1 -1,-0.3 1,-0.1 -351,-0.1 0.484 102.6 96.3 83.2 0.9 22.6 43.8 -32.6 831 420 B E T < 5S- 0 0 18 -3,-2.1 -2,-0.1 -353,-0.1 -1,-0.1 0.288 99.3-108.7-108.2 6.2 20.6 43.0 -35.8 832 421 B G T 5S+ 0 0 6 -4,-0.2 4,-0.2 -357,-0.2 -3,-0.1 0.757 87.4 104.4 79.1 29.7 23.6 43.3 -38.1 833 422 B H >< + 0 0 7 -5,-0.6 4,-2.8 -9,-0.1 5,-0.2 0.759 49.0 82.2-106.0 -34.9 22.9 46.6 -39.9 834 423 B R H > S+ 0 0 17 -6,-0.3 4,-2.1 1,-0.2 5,-0.2 0.819 92.6 46.2 -60.8 -45.9 25.1 49.3 -38.7 835 424 B F H > S+ 0 0 0 -357,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.940 117.9 45.1 -56.0 -49.1 28.4 48.7 -40.6 836 425 B F H > S+ 0 0 7 1,-0.2 4,-2.7 -358,-0.2 -2,-0.2 0.913 111.3 52.8 -62.4 -45.0 26.4 48.3 -43.9 837 426 B D H < S+ 0 0 1 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.845 113.8 41.4 -63.2 -39.7 24.2 51.3 -43.3 838 427 B L H ><>S+ 0 0 12 -4,-2.1 5,-2.4 -5,-0.2 3,-0.7 0.923 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S- 0 0 0 -3,-0.7 -303,-0.2 -4,-0.2 -304,-0.1 -0.966 95.7-115.3-124.7 150.8 35.3 43.8 -48.0 869 458 B L - 0 0 0 -305,-3.0 2,-0.2 -2,-0.3 16,-0.1 -0.439 37.7-105.2 -73.3 153.7 36.3 40.3 -47.0 870 459 B P - 0 0 0 0, 0.0 -367,-0.1 0, 0.0 -1,-0.1 -0.568 33.3-105.2 -78.1 151.1 39.1 38.7 -49.1 871 460 B I - 0 0 0 -2,-0.2 5,-0.1 1,-0.1 14,-0.0 -0.556 51.3 -96.1 -67.6 131.1 38.3 36.0 -51.6 872 461 B P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.273 28.9-122.6 -54.7 138.3 39.4 32.7 -50.1 873 462 B E T > S+ 0 0 116 -369,-2.0 3,-1.4 1,-0.3 4,-0.3 0.794 106.3 64.0 -50.1 -40.3 42.9 31.6 -51.2 874 463 B D T >> S+ 0 0 77 -370,-0.3 4,-1.1 1,-0.3 3,-0.8 0.687 86.4 71.8 -66.6 -16.7 41.7 28.2 -52.7 875 464 B Q H <> S+ 0 0 28 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.813 93.0 57.8 -65.7 -27.0 39.6 30.0 -55.3 876 465 B F H <4 S+ 0 0 31 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.623 96.1 63.0 -79.5 -13.2 42.9 30.9 -57.1 877 466 B I H <4 S+ 0 0 129 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.913 114.2 32.8 -68.5 -46.0 43.8 27.2 -57.3 878 467 B F H < S+ 0 0 115 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.836 136.3 26.0 -80.3 -33.8 40.7 26.7 -59.5 879 468 B S >< + 0 0 28 -4,-2.3 3,-2.2 -5,-0.1 -1,-0.2 -0.716 65.7 175.1-131.5 78.0 40.8 30.2 -61.2 880 469 B P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 81.3 56.1 -62.6 -18.7 44.4 31.4 -61.1 881 470 B E T 3 S+ 0 0 171 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.476 81.2 116.7 -86.7 -6.0 43.5 34.5 -63.2 882 471 B X < - 0 0 18 -3,-2.2 2,-0.4 -7,-0.2 -3,-0.0 -0.286 67.6-120.7 -61.1 145.5 40.8 35.6 -60.7 883 472 B E - 0 0 128 7,-0.0 2,-0.2 -289,-0.0 -1,-0.1 -0.765 15.8-138.7 -91.6 139.2 41.4 38.9 -59.0 884 473 B Q - 0 0 17 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.599 39.3 -89.3 -81.7 153.0 41.7 39.3 -55.3 885 474 B N > - 0 0 5 -2,-0.2 3,-1.2 1,-0.1 -1,-0.1 -0.398 64.0 -84.9 -60.0 142.9 40.1 42.3 -53.6 886 475 B P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.159 107.5 19.3 -62.4 146.0 42.6 45.1 -53.6 887 476 B G T 3 S+ 0 0 63 1,-0.3 3,-0.1 -3,-0.1 -21,-0.1 -0.006 93.4 110.7 91.4 -29.7 45.2 45.5 -50.8 888 477 B Y S < S- 0 0 16 -3,-1.2 -1,-0.3 -23,-0.1 -4,-0.1 -0.470 80.7 -94.9 -71.9 151.5 45.0 41.9 -49.6 889 478 B P 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.349 360.0 360.0 -68.7 147.2 48.1 39.7 -50.4 890 479 B K 0 0 165 -3,-0.1 -7,-0.0 -6,-0.1 -17,-0.0 -0.042 360.0 360.0-130.7 360.0 48.0 37.6 -53.6