==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-MAR-10 3MCX . COMPND 2 MOLECULE: SUSD SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 459 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.9 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 0.2 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 . 20 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 0 1 2 1 0 0 0 2 0 2 2 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 39 A V 0 0 109 0, 0.0 92,-3.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -55.9 12.5 -16.4 16.8 2 40 A T > - 0 0 57 90,-0.2 4,-2.0 1,-0.1 92,-0.2 -0.596 360.0-111.0-105.7 164.9 16.1 -16.6 15.4 3 41 A L H > S+ 0 0 39 90,-0.4 4,-2.3 1,-0.2 5,-0.2 0.903 121.7 53.5 -54.4 -43.2 19.4 -14.8 16.1 4 42 A D H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 105.0 53.7 -64.3 -38.2 19.0 -13.2 12.6 5 43 A D H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 108.2 50.7 -59.2 -40.6 15.5 -11.9 13.6 6 44 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 110.1 48.9 -62.4 -43.0 17.0 -10.3 16.6 7 45 A Q H X S+ 0 0 28 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.894 108.9 53.0 -61.5 -42.8 19.7 -8.7 14.5 8 46 A I H X S+ 0 0 91 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 108.2 51.4 -59.5 -42.6 17.0 -7.4 12.1 9 47 A A H X S+ 0 0 44 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.925 111.1 47.2 -58.1 -45.8 15.2 -5.9 15.1 10 48 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.916 108.5 54.7 -62.8 -42.9 18.4 -4.1 16.1 11 49 A N H X S+ 0 0 56 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.895 106.1 54.2 -56.8 -38.8 18.9 -2.9 12.6 12 50 A G H X S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.836 104.6 52.9 -62.7 -36.2 15.4 -1.4 12.7 13 51 A I H X S+ 0 0 1 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.946 110.8 46.4 -64.0 -47.4 16.3 0.5 15.9 14 52 A Y H X S+ 0 0 10 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.916 112.3 51.7 -60.5 -40.4 19.4 2.0 14.2 15 53 A R H X S+ 0 0 47 -4,-2.3 4,-0.6 2,-0.2 3,-0.2 0.917 109.6 48.9 -63.5 -44.1 17.3 2.8 11.1 16 54 A L H >< S+ 0 0 38 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.920 109.1 53.4 -61.9 -41.3 14.6 4.6 13.3 17 55 A A H 3< S+ 0 0 0 -4,-2.4 6,-2.4 1,-0.3 7,-0.3 0.833 108.1 50.6 -62.6 -30.9 17.4 6.5 15.0 18 56 A S H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.585 100.5 96.2 -82.3 -7.9 18.7 7.7 11.7 19 57 A G S X<>S- 0 0 14 -3,-1.2 5,-1.9 -4,-0.6 3,-1.9 -0.025 87.7 -62.5 -82.9 174.8 15.2 8.8 10.6 20 58 A H T 3 5S+ 0 0 88 1,-0.2 -1,-0.2 4,-0.2 3,-0.1 -0.324 119.6 22.5 -53.2 136.4 13.2 12.0 10.6 21 59 A S T 3 5S+ 0 0 2 1,-0.3 -1,-0.2 -3,-0.1 52,-0.2 0.225 122.9 56.1 83.8 -7.5 12.5 13.5 14.0 22 60 A Y T X >S- 0 0 0 -3,-1.9 5,-2.1 -6,-0.2 3,-1.0 0.160 128.1 -27.2-113.4-118.2 15.5 11.7 15.6 23 61 A Y T 3 5S+ 0 0 14 -6,-2.4 -5,-0.2 1,-0.2 235,-0.2 0.657 122.4 78.3 -79.5 -12.3 19.1 12.0 14.3 24 62 A G T 3 5S+ 0 0 1 -3,-1.0 4,-2.5 -6,-0.4 3,-1.4 0.304 127.1 53.1-153.9 -78.2 17.2 16.4 11.7 26 64 A N H 3>5S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -3,-0.2 0.873 116.3 39.3 -55.7 -46.0 15.9 17.6 15.0 27 65 A Y H 34X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 3,-1.5 0.628 99.4 85.6 -93.2 -9.6 20.8 20.6 14.4 30 68 A Y H 3X S+ 0 0 2 -4,-1.7 4,-1.6 -5,-0.4 -1,-0.2 0.938 89.8 52.3 -52.5 -48.0 19.2 21.4 17.8 31 69 A G H 34 S+ 0 0 1 369,-0.3 372,-2.5 -4,-0.3 -1,-0.3 0.507 115.2 42.3 -74.2 -4.7 22.5 21.8 19.5 32 70 A D H X4 S+ 0 0 4 -3,-1.5 3,-1.8 370,-0.2 6,-0.7 0.804 112.4 46.9 -99.7 -51.8 23.8 24.2 16.8 33 71 A C H 3< S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.3 -2,-0.2 0.687 106.5 60.8 -69.7 -14.6 20.8 26.5 16.2 34 72 A R T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.602 105.3 54.7 -82.6 -12.6 20.3 27.0 19.9 35 73 A A S < S- 0 0 0 -3,-1.8 -3,-0.1 3,-0.2 378,-0.1 0.197 101.3 -93.2-100.5-145.3 23.8 28.5 20.3 36 74 A A S S+ 0 0 1 3,-0.1 242,-0.3 240,-0.0 243,-0.3 0.485 104.3 63.0-118.3 -7.5 25.4 31.4 18.4 37 75 A D S S+ 0 0 5 -5,-0.3 239,-2.4 1,-0.2 2,-0.5 0.672 100.4 45.3 -97.1 -29.7 27.2 30.0 15.4 38 76 A V E S+A 275 0A 0 -6,-0.7 2,-0.3 237,-0.3 237,-0.2 -0.993 72.4 174.9-120.9 125.3 24.4 28.4 13.3 39 77 A Q E -A 274 0A 0 235,-3.0 235,-2.3 -2,-0.5 2,-0.1 -0.830 36.8 -91.2-123.8 162.5 21.2 30.5 12.8 40 78 A A - 0 0 0 -2,-0.3 233,-0.2 233,-0.2 381,-0.2 -0.502 25.3-146.8 -61.8 147.5 18.0 30.2 10.9 41 79 A R S S+ 0 0 15 231,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.815 81.4 6.1 -77.1 -38.4 18.1 31.8 7.5 42 80 A I S S- 0 0 75 230,-0.2 -1,-0.3 264,-0.1 2,-0.3 -0.993 79.6-108.5-146.9 145.9 14.5 32.9 7.7 43 81 A T + 0 0 63 -2,-0.3 7,-0.1 1,-0.1 6,-0.1 -0.582 32.2 174.3 -77.7 138.7 11.7 32.8 10.3 44 82 A K - 0 0 70 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.455 34.0-131.8-121.5 -6.6 9.0 30.2 9.5 45 83 A G > - 0 0 32 3,-0.1 3,-1.3 4,-0.1 -1,-0.2 -0.135 51.9 -14.9 78.9-178.0 6.8 30.4 12.6 46 84 A D T 3 S+ 0 0 90 1,-0.2 3,-0.1 5,-0.1 12,-0.0 -0.220 126.6 18.6 -59.8 139.8 5.4 27.6 14.8 47 85 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 12,-0.1 2,-0.2 0.527 103.8 102.1 82.9 6.7 5.5 24.0 13.5 48 86 A K S < S- 0 0 118 -3,-1.3 -1,-0.3 1,-0.1 -4,-0.1 -0.714 78.5 -67.3-124.1 170.1 8.1 24.7 10.8 49 87 A R S S- 0 0 25 -2,-0.2 2,-2.4 1,-0.2 -5,-0.1 -0.294 89.4 -27.5 -78.2 139.1 11.8 24.0 10.7 50 88 A V S >> S+ 0 0 0 1,-0.2 4,-2.6 -7,-0.1 3,-1.1 -0.287 108.7 84.4 75.5 -54.4 14.6 25.5 12.8 51 89 A S H 3> S+ 0 0 0 -2,-2.4 4,-2.7 1,-0.3 6,-0.2 0.810 84.0 55.9 -59.7 -38.5 13.2 28.9 13.7 52 90 A P H 34>S+ 0 0 0 0, 0.0 5,-1.7 0, 0.0 6,-1.5 0.846 114.5 42.1 -64.3 -31.2 11.1 28.0 16.8 53 91 A Y H X45S+ 0 0 0 -3,-1.1 3,-1.5 3,-0.2 -2,-0.2 0.934 116.0 48.1 -68.3 -54.4 14.3 26.5 18.4 54 92 A Y H 3<5S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.1 0.847 115.3 45.0 -55.2 -40.4 16.5 29.3 17.3 55 93 A E T 3<5S- 0 0 5 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.403 103.6-129.9 -86.1 -3.2 14.1 32.0 18.5 56 94 A Y T < 5S+ 0 0 8 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.864 80.4 107.4 54.7 39.8 13.4 30.2 21.9 57 95 A N < + 0 0 45 -5,-1.7 -4,-0.2 -6,-0.2 -1,-0.1 0.365 35.9 140.3-127.5 6.3 9.7 30.4 21.3 58 96 A V - 0 0 7 -6,-1.5 2,-0.2 -7,-0.1 -12,-0.0 -0.207 41.1-141.2 -57.2 136.5 8.7 26.8 20.5 59 97 A L > - 0 0 86 382,-0.1 3,-2.0 1,-0.1 6,-0.1 -0.625 21.5-112.8-101.5 158.8 5.3 25.8 22.0 60 98 A A T 3 S+ 0 0 12 1,-0.3 385,-2.4 -2,-0.2 386,-0.4 0.720 116.1 60.4 -60.3 -20.8 4.1 22.5 23.6 61 99 A S T 3 S+ 0 0 82 383,-0.2 2,-0.6 384,-0.1 -1,-0.3 0.407 73.0 121.2 -84.8 -3.3 1.8 22.1 20.6 62 100 A D <>> - 0 0 3 -3,-2.0 5,-2.3 1,-0.2 4,-1.9 -0.499 41.2-171.5 -74.5 112.3 4.5 22.1 18.0 63 101 A N T 4>S+ 0 0 93 -2,-0.6 5,-2.8 3,-0.2 -1,-0.2 0.959 82.0 43.2 -68.7 -50.6 4.2 18.8 16.1 64 102 A L T 45S+ 0 0 21 1,-0.2 -1,-0.2 -17,-0.2 -38,-0.1 0.878 126.9 29.6 -59.4 -40.2 7.4 19.0 14.1 65 103 A N T 45S+ 0 0 0 3,-0.1 -1,-0.2 -6,-0.1 -2,-0.2 0.599 134.9 14.0-105.9 -12.6 9.6 20.3 16.9 66 104 A I T X5S+ 0 0 0 -4,-1.9 4,-1.9 3,-0.1 5,-0.3 0.643 122.9 44.0-127.7 -56.8 8.2 18.9 20.1 67 105 A V H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 116.2 44.6 -62.1 -34.4 11.0 14.4 18.6 70 108 A W H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.958 117.7 42.2 -66.2 -54.2 9.6 13.2 21.9 71 109 A N H X S+ 0 0 64 -4,-2.7 4,-1.8 -5,-0.3 -3,-0.2 0.853 112.7 53.7 -67.5 -36.2 7.5 10.4 20.5 72 110 A T H X S+ 0 0 18 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.912 110.0 45.9 -68.1 -43.5 10.2 9.2 18.0 73 111 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.917 112.2 51.7 -67.3 -38.6 12.9 8.8 20.7 74 112 A Y H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.853 105.9 55.7 -64.0 -33.4 10.4 7.0 23.0 75 113 A K H X S+ 0 0 98 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.931 108.0 48.1 -62.0 -44.4 9.6 4.7 20.1 76 114 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 111.6 50.2 -60.1 -45.4 13.3 3.8 19.9 77 115 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.946 110.1 50.4 -58.9 -45.8 13.4 3.3 23.7 78 116 A R H X S+ 0 0 90 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.907 110.1 49.5 -59.5 -42.9 10.4 1.0 23.5 79 117 A Q H X S+ 0 0 66 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.903 109.6 51.4 -64.4 -41.2 11.9 -1.1 20.8 80 118 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.919 110.9 49.3 -59.6 -40.9 15.1 -1.4 22.7 81 119 A N H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 110.6 49.3 -66.4 -41.2 13.1 -2.6 25.8 82 120 A N H X S+ 0 0 87 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.925 114.5 45.4 -61.4 -42.3 11.2 -5.1 23.7 83 121 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 113.4 48.2 -68.5 -48.9 14.4 -6.5 22.2 84 122 A I H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.935 113.8 48.1 -57.4 -45.0 16.3 -6.6 25.5 85 123 A Q H X S+ 0 0 94 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.900 108.9 52.9 -63.7 -40.8 13.4 -8.4 27.1 86 124 A K H <>S+ 0 0 90 -4,-2.2 5,-0.8 -5,-0.2 4,-0.3 0.926 112.6 45.6 -59.4 -45.2 13.0 -10.9 24.2 87 125 A I H ><5S+ 0 0 22 -4,-2.4 3,-1.2 1,-0.2 5,-0.3 0.943 115.5 46.1 -60.8 -49.2 16.7 -11.8 24.6 88 126 A E H 3<5S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.773 101.5 65.3 -69.8 -22.6 16.5 -12.0 28.4 89 127 A S T 3<5S- 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.572 104.3-126.8 -78.1 -8.2 13.4 -14.1 28.4 90 128 A G T < 5S+ 0 0 64 -3,-1.2 4,-0.1 -4,-0.3 -3,-0.1 0.526 75.2 122.2 77.2 10.3 15.3 -17.0 26.7 91 129 A S < + 0 0 48 -5,-0.8 2,-0.5 2,-0.1 -4,-0.1 -0.070 39.9 100.7 -99.4 22.2 12.7 -17.2 23.9 92 130 A I S S- 0 0 16 -5,-0.3 2,-2.3 2,-0.2 -90,-0.2 -0.973 77.3-130.9-102.8 125.8 15.1 -16.6 21.1 93 131 A Q + 0 0 98 -92,-3.6 -90,-0.4 -2,-0.5 2,-0.3 -0.450 70.0 103.7 -79.9 69.8 16.0 -19.9 19.5 94 132 A S - 0 0 36 -2,-2.3 -2,-0.2 -92,-0.2 -92,-0.0 -0.985 52.7-163.3-149.6 139.9 19.8 -19.5 19.5 95 133 A S + 0 0 118 -2,-0.3 2,-1.9 1,-0.1 3,-0.2 0.300 62.5 112.6 -97.5 5.2 22.6 -20.8 21.6 96 134 A D > + 0 0 70 1,-0.2 4,-2.7 2,-0.1 3,-0.3 -0.540 38.5 171.1 -85.1 81.5 25.0 -18.0 20.4 97 135 A T H > S+ 0 0 105 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.838 71.9 55.9 -61.2 -39.3 25.4 -16.2 23.7 98 136 A K H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 112.2 42.0 -62.4 -43.3 28.2 -13.9 22.5 99 137 A E H > S+ 0 0 50 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.907 113.8 51.8 -72.5 -41.4 26.1 -12.6 19.6 100 138 A L H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 112.0 48.3 -58.3 -40.9 22.9 -12.4 21.8 101 139 A N H X S+ 0 0 60 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.863 109.4 51.8 -70.2 -33.4 24.9 -10.4 24.3 102 140 A R H X S+ 0 0 10 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.951 111.2 46.9 -65.4 -47.8 26.3 -8.1 21.6 103 141 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 113.8 49.1 -59.0 -44.6 22.9 -7.3 20.3 104 142 A K H X S+ 0 0 48 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.912 111.0 50.3 -59.9 -43.2 21.7 -6.7 23.8 105 143 A S H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.894 109.5 49.0 -65.7 -42.9 24.6 -4.5 24.5 106 144 A E H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.920 111.0 51.1 -60.6 -42.5 24.1 -2.4 21.4 107 145 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.889 108.6 53.1 -58.9 -41.2 20.4 -2.0 22.3 108 146 A L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 108.5 48.4 -62.2 -43.0 21.5 -0.9 25.8 109 147 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.939 112.2 49.3 -64.7 -43.4 23.7 1.8 24.5 110 148 A X H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 110.3 51.4 -62.4 -37.9 20.9 3.0 22.2 111 149 A R H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.932 113.8 44.0 -62.7 -45.5 18.5 3.0 25.2 112 150 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.935 113.8 49.3 -65.1 -44.2 20.9 5.1 27.2 113 151 A L H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.3 50.9 -61.1 -40.9 21.7 7.4 24.3 114 152 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.926 110.4 47.0 -63.9 -46.7 18.0 7.9 23.7 115 153 A L H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 111.8 52.9 -63.3 -40.6 17.2 8.8 27.3 116 154 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 108.0 50.8 -56.9 -48.3 20.2 11.2 27.3 117 155 A N H X S+ 0 0 6 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.914 112.9 45.0 -58.2 -45.3 18.9 12.9 24.2 118 156 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.910 112.6 51.9 -62.7 -43.1 15.4 13.4 25.7 119 157 A T H X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.872 108.8 48.9 -64.9 -39.5 16.8 14.6 29.0 120 158 A R H < S+ 0 0 15 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.784 117.0 42.0 -78.8 -21.2 19.1 17.2 27.5 121 159 A L H < S+ 0 0 3 -4,-1.3 320,-2.8 -5,-0.2 -2,-0.2 0.875 125.7 31.0 -82.2 -43.6 16.2 18.7 25.3 122 160 A F H < S+ 0 0 0 -4,-2.6 2,-0.3 318,-0.2 -2,-0.2 0.369 113.9 62.3-104.9 3.2 13.4 18.6 27.9 123 161 A G S < S- 0 0 2 -4,-1.2 12,-0.1 -5,-0.2 318,-0.1 -0.940 85.5-103.9-129.6 148.2 15.3 19.1 31.2 124 162 A X - 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0 0 61 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.750 59.3-113.2-114.6 161.0 42.2 28.3 29.3 385 423 A L H > S+ 0 0 44 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.935 117.7 54.7 -57.2 -45.4 38.6 27.1 29.2 386 424 A D H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 105.7 52.9 -59.4 -40.1 37.8 29.9 26.7 387 425 A R H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 111.2 45.9 -63.1 -37.8 40.5 28.6 24.4 388 426 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.930 112.6 50.0 -65.2 -46.3 39.1 25.1 24.5 389 427 A L H X S+ 0 0 14 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.877 109.0 52.2 -65.2 -38.9 35.5 26.3 24.0 390 428 A K H X S+ 0 0 51 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.922 109.9 49.3 -56.7 -46.6 36.7 28.4 20.9 391 429 A E H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.905 109.5 51.8 -63.2 -40.0 38.3 25.3 19.5 392 430 A R H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.894 107.8 51.8 -61.5 -41.3 35.2 23.2 20.0 393 431 A R H X S+ 0 0 43 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.913 114.3 43.7 -61.4 -42.4 33.1 25.8 18.2 394 432 A K H < S+ 0 0 4 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.919 121.5 38.7 -67.7 -43.7 35.4 25.8 15.3 395 433 A E H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.857 122.1 37.0 -78.0 -38.5 35.8 21.9 15.2 396 434 A L H >< S+ 0 0 1 -4,-2.8 3,-2.4 -5,-0.2 5,-0.4 0.273 73.8 140.8-109.6 10.6 32.2 20.8 16.0 397 435 A V T 3< S+ 0 0 4 -4,-0.7 -365,-0.1 1,-0.3 -4,-0.0 -0.259 78.0 17.1 -52.4 130.3 30.1 23.4 14.2 398 436 A G T 3 S+ 0 0 0 -369,-0.1 -1,-0.3 1,-0.0 -366,-0.1 0.391 100.4 100.0 87.9 -2.6 27.1 21.5 12.6 399 437 A E S < S- 0 0 31 -3,-2.4 -2,-0.1 -368,-0.1 -370,-0.1 0.276 92.1-111.6-110.5 14.2 27.5 18.4 14.8 400 438 A G S S+ 0 0 5 -4,-0.2 -369,-0.3 -371,-0.1 -368,-0.1 0.526 91.3 85.8 83.9 10.5 24.9 19.1 17.4 401 439 A E >> + 0 0 9 -5,-0.4 3,-1.1 -9,-0.1 4,-1.0 0.654 53.3 89.4-117.9 -24.9 26.9 19.7 20.6 402 440 A V H >> S+ 0 0 2 -6,-0.3 4,-1.1 1,-0.3 3,-0.6 0.831 82.7 62.6 -55.3 -36.3 28.0 23.3 20.9 403 441 A F H >> S+ 0 0 0 -372,-2.5 4,-1.9 1,-0.2 3,-0.7 0.917 101.9 52.3 -48.2 -47.3 24.9 24.5 22.8 404 442 A Y H <> S+ 0 0 11 -3,-1.1 4,-2.9 1,-0.2 5,-0.3 0.796 97.1 67.3 -66.5 -27.8 25.8 22.1 25.6 405 443 A D H S+ 0 0 25 -4,-1.1 5,-2.5 -3,-0.7 3,-0.7 0.947 114.9 51.8 -70.7 -47.4 27.7 26.9 27.0 407 445 A L H ><5S+ 0 0 5 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.922 109.1 46.9 -59.9 -50.6 25.2 25.2 29.3 408 446 A R H 3<5S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.709 114.7 49.0 -69.8 -15.4 27.6 23.0 31.3 409 447 A N T <<5S- 0 0 26 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.334 111.3-118.6-100.7 6.7 29.9 25.9 31.8 410 448 A G T < 5 + 0 0 51 -3,-1.7 2,-0.4 -4,-0.4 24,-0.2 0.773 61.6 153.7 65.1 27.2 27.2 28.3 33.0 411 449 A L < - 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0 0 21 -381,-0.2 3,-1.7 1,-0.1 4,-0.3 -0.320 21.6-127.8 -71.7 149.5 17.2 37.4 12.5 422 460 A E T >> S+ 0 0 128 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.730 102.0 77.8 -65.9 -23.2 15.1 40.3 13.8 423 461 A T H 3> S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.759 78.4 71.4 -58.8 -22.9 12.8 37.8 15.4 424 462 A L H <4>S+ 0 0 1 -3,-1.7 5,-2.9 2,-0.2 6,-0.6 0.810 96.0 53.3 -63.9 -28.4 15.3 37.4 18.2 425 463 A K H X45S+ 0 0 103 -3,-1.5 3,-1.3 -4,-0.3 -2,-0.2 0.979 112.1 41.4 -67.1 -53.6 14.4 40.9 19.5 426 464 A A H 3<5S+ 0 0 98 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.846 119.7 45.9 -63.7 -32.7 10.6 40.2 19.6 427 465 A S T 3<5S- 0 0 27 -4,-2.4 -1,-0.3 1,-0.0 -2,-0.2 0.392 107.8-124.3 -92.0 3.5 11.3 36.7 21.2 428 466 A N T < 5S+ 0 0 113 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.934 71.7 127.5 54.5 49.2 13.9 38.0 23.7 429 467 A A < + 0 0 0 -5,-2.9 -4,-0.2 -6,-0.1 3,-0.2 0.063 29.0 100.0-129.1 28.5 16.5 35.6 22.4 430 468 A Q S S+ 0 0 90 -6,-0.6 -15,-2.7 1,-0.3 2,-0.4 0.793 98.1 26.3 -75.5 -30.8 19.5 37.8 21.7 431 469 A K E -E 414 0E 96 -17,-0.2 2,-0.5 -7,-0.2 -1,-0.3 -0.996 69.5-174.4-133.2 130.5 20.9 36.6 25.0 432 470 A I E -E 413 0E 0 -19,-2.5 -19,-2.7 -2,-0.4 2,-0.1 -0.965 14.2-148.7-126.8 114.6 20.1 33.3 26.7 433 471 A E > - 0 0 73 -2,-0.5 3,-2.0 -21,-0.2 6,-0.1 -0.422 27.2-116.0 -72.3 154.3 21.4 32.5 30.2 434 472 A A T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -24,-0.2 -306,-0.1 0.646 118.6 52.0 -69.1 -9.9 22.2 28.9 31.1 435 473 A T T 3 S+ 0 0 99 -25,-0.1 -1,-0.3 -311,-0.1 2,-0.2 0.314 78.3 130.9-103.2 5.3 19.5 29.2 33.8 436 474 A D X - 0 0 35 -3,-2.0 3,-2.2 1,-0.2 4,-0.4 -0.405 60.7-136.0 -65.8 130.1 16.8 30.5 31.3 437 475 A L G > S+ 0 0 74 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.784 100.8 68.4 -55.6 -29.7 13.6 28.5 31.8 438 476 A R G 3 S+ 0 0 38 1,-0.2 -1,-0.3 -382,-0.0 -380,-0.1 0.581 77.6 79.7 -72.6 -8.8 13.3 28.3 28.0 439 477 A I G < S+ 0 0 0 -3,-2.2 2,-0.7 -6,-0.1 -1,-0.2 0.885 83.6 69.7 -60.3 -40.3 16.4 26.0 27.7 440 478 A A S < S- 0 0 2 -3,-1.1 -318,-0.2 -4,-0.4 -316,-0.1 -0.755 92.5-131.7 -80.5 115.8 14.1 23.1 28.7 441 479 A L - 0 0 0 -320,-2.8 16,-0.2 -2,-0.7 2,-0.1 -0.257 31.6 -92.0 -61.2 151.4 11.8 22.5 25.8 442 480 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.448 37.9-113.9 -65.9 139.8 8.2 22.2 26.6 443 481 A I - 0 0 0 1,-0.1 5,-0.1 -2,-0.1 -376,-0.1 -0.478 52.1 -86.4 -62.7 139.8 6.9 18.7 27.2 444 482 A P >> - 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.220 28.5-130.9 -55.1 140.0 4.4 17.9 24.4 445 483 A Q H 3> S+ 0 0 71 -385,-2.4 4,-3.1 1,-0.3 5,-0.2 0.827 106.8 67.7 -60.9 -29.5 0.9 19.0 25.0 446 484 A S H 3> S+ 0 0 53 -386,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.901 103.7 44.6 -55.7 -43.3 -0.2 15.5 24.1 447 485 A E H <> S+ 0 0 50 -3,-0.9 4,-2.3 2,-0.2 7,-0.2 0.900 112.9 49.7 -67.0 -43.8 1.5 14.3 27.2 448 486 A I H < S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 113.3 46.3 -60.7 -44.3 0.1 17.0 29.4 449 487 A D H < S+ 0 0 123 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 120.4 39.0 -64.0 -38.6 -3.4 16.5 28.2 450 488 A A H < S+ 0 0 80 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.739 117.6 40.9 -86.3 -30.5 -3.2 12.7 28.6 451 489 A N >< - 0 0 11 -4,-2.3 3,-1.9 -5,-0.1 -1,-0.2 -0.911 55.6-167.7-133.9 99.5 -1.3 12.1 31.8 452 490 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.632 87.5 68.1 -63.8 -13.2 -2.0 14.4 34.9 453 491 A N T 3 S+ 0 0 87 -304,-0.2 2,-0.7 2,-0.1 -302,-0.5 0.475 81.8 88.5 -81.1 -8.8 1.2 13.0 36.5 454 492 A I < - 0 0 8 -3,-1.9 2,-0.3 -7,-0.2 -3,-0.1 -0.864 69.4-153.5 -96.1 115.5 3.4 14.8 33.9 455 493 A Q - 0 0 128 -2,-0.7 2,-0.2 1,-0.0 -12,-0.1 -0.669 13.6-124.6 -85.3 142.8 4.3 18.3 34.9 456 494 A Q - 0 0 62 -2,-0.3 -1,-0.0 1,-0.1 -11,-0.0 -0.536 30.5-101.4 -80.4 150.6 5.1 20.9 32.3 457 495 A N - 0 0 14 -2,-0.2 -1,-0.1 -16,-0.2 -334,-0.0 -0.546 47.2-107.0 -64.0 136.0 8.4 22.8 32.3 458 496 A P 0 0 82 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.205 360.0 360.0 -67.4 156.6 7.9 26.3 33.8 459 497 A R 0 0 157 -21,-0.0 -23,-0.0 -17,-0.0 0, 0.0 -0.862 360.0 360.0-132.3 360.0 7.9 29.5 31.7