==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 14-OCT-09 3K8M . COMPND 2 MOLECULE: ALPHA-AMYLASE, SUSG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR N.M.KOROPATKIN,T.J.SMITH . 1296 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 860 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 15.6 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 115 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 7 4 6 0 0 0 0 0 5 4 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 9 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 . 10 10 4 8 4 4 0 2 0 2 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 2 2 6 0 0 1 1 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 43 A Q 0 0 180 0, 0.0 2,-0.7 0, 0.0 628,-0.3 0.000 360.0 360.0 360.0-140.3 33.5 10.8 -23.9 2 44 A W + 0 0 96 626,-0.1 2,-0.2 624,-0.1 626,-0.2 -0.874 360.0 178.1-113.5 102.4 33.8 13.6 -21.4 3 45 A T E -A 627 0A 76 624,-2.2 624,-3.1 -2,-0.7 2,-0.2 -0.658 32.3-106.5 -98.4 155.8 31.8 13.1 -18.2 4 46 A A E -A 626 0A 67 -2,-0.2 622,-0.2 622,-0.2 2,-0.1 -0.524 34.5-111.0 -82.1 149.2 31.8 15.6 -15.3 5 47 A L - 0 0 13 620,-2.2 2,-0.4 -2,-0.2 620,-0.1 -0.426 26.4-156.6 -76.9 154.3 33.7 14.8 -12.1 6 48 A T - 0 0 109 -2,-0.1 612,-0.4 614,-0.1 2,-0.3 -0.976 8.7-141.2-135.6 120.3 31.8 14.1 -8.9 7 49 A A + 0 0 42 -2,-0.4 612,-0.2 612,-0.1 613,-0.1 -0.642 21.7 173.8 -82.8 135.1 33.3 14.5 -5.5 8 50 A S + 0 0 62 610,-3.1 611,-0.1 -2,-0.3 612,-0.1 -0.517 14.2 175.0-139.4 67.2 32.4 11.9 -2.9 9 51 A P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 610,-0.1 -0.350 40.1 -91.1 -73.7 153.0 34.6 12.7 0.2 10 52 A D - 0 0 81 1,-0.1 548,-0.1 -2,-0.1 549,-0.0 -0.363 50.3 -99.6 -64.0 141.7 34.2 10.9 3.5 11 53 A T - 0 0 121 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.305 41.1-111.5 -60.8 145.6 31.8 12.4 5.9 12 54 A W - 0 0 41 1,-0.1 -1,-0.1 -3,-0.1 546,-0.1 -0.712 13.6-151.6 -87.3 126.5 33.5 14.5 8.6 13 55 A D - 0 0 82 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.012 46.2-109.2 -83.5 28.9 33.3 13.2 12.1 14 56 A E S S+ 0 0 157 1,-0.2 2,-0.5 540,-0.0 -1,-0.1 0.508 78.8 127.6 57.5 9.6 33.5 16.8 13.5 15 57 A T - 0 0 69 542,-0.1 2,-1.5 1,-0.0 -1,-0.2 -0.855 61.4-128.8-101.1 129.7 37.1 16.5 14.8 16 58 A K + 0 0 32 -2,-0.5 542,-0.1 1,-0.2 541,-0.1 -0.556 35.5 166.0 -76.9 88.4 39.5 19.2 13.8 17 59 A R + 0 0 82 -2,-1.5 -1,-0.2 540,-1.1 2,-0.2 0.734 60.4 68.5 -74.5 -22.0 42.5 17.2 12.5 18 60 A A S S- 0 0 0 -3,-0.1 2,-0.7 36,-0.1 546,-0.1 -0.525 80.8-127.6 -96.5 164.5 44.0 20.3 10.9 19 61 A D + 0 0 38 544,-0.5 2,-0.5 464,-0.3 36,-0.1 -0.800 40.6 163.9-112.2 86.6 45.4 23.4 12.4 20 62 A I - 0 0 0 -2,-0.7 36,-3.5 34,-0.4 37,-1.2 -0.914 16.3-164.2-107.6 128.8 43.5 26.2 10.7 21 63 A S E -de 57 486B 1 464,-2.6 466,-2.9 -2,-0.5 2,-0.5 -0.841 8.3-149.3-114.4 151.6 43.7 29.7 12.3 22 64 A Y E -de 58 487B 0 35,-2.3 37,-2.6 -2,-0.3 2,-0.5 -0.970 7.3-153.3-121.8 127.1 41.5 32.7 11.8 23 65 A Q E +de 59 488B 7 464,-3.5 466,-3.1 -2,-0.5 2,-0.3 -0.873 20.8 172.5-101.8 128.9 42.8 36.3 12.1 24 66 A L E -d 60 0B 0 35,-2.2 2,-0.7 -2,-0.5 37,-0.6 -0.964 32.4-131.6-135.2 151.8 40.4 39.0 13.1 25 67 A L >> - 0 0 2 -2,-0.3 3,-2.3 35,-0.2 4,-1.3 -0.904 18.2-146.7-102.3 109.2 40.6 42.7 14.0 26 68 A L T 34 S+ 0 0 0 -2,-0.7 4,-0.5 1,-0.3 3,-0.2 0.790 94.7 56.6 -44.9 -37.0 38.4 43.2 17.1 27 69 A Y T 34 S+ 0 0 4 42,-0.2 11,-2.3 1,-0.2 -1,-0.3 0.663 118.3 28.3 -73.3 -17.4 37.5 46.7 16.0 28 70 A S T <4 S+ 0 0 0 -3,-2.3 482,-2.1 9,-0.2 490,-0.4 0.381 102.2 79.4-125.4 2.7 36.0 45.7 12.7 29 71 A F S < S- 0 0 0 -4,-1.3 2,-0.3 1,-0.2 489,-0.2 0.992 103.0 -14.2 -76.9 -67.4 34.7 42.2 13.2 30 72 A A - 0 0 0 -4,-0.5 9,-2.2 9,-0.2 2,-0.6 -0.946 49.3-152.1-150.3 125.6 31.4 42.4 15.0 31 73 A D + 0 0 6 485,-3.7 3,-0.2 -2,-0.3 7,-0.2 -0.836 13.9 177.2 -95.8 116.6 29.5 45.1 16.9 32 74 A S S S+ 0 0 35 -2,-0.6 -1,-0.1 5,-0.2 6,-0.1 0.646 77.5 41.9 -94.1 -16.7 27.2 43.7 19.6 33 75 A D S S- 0 0 105 4,-0.3 -1,-0.1 483,-0.1 483,-0.1 0.188 102.9-115.9-117.5 17.2 25.9 46.9 21.1 34 76 A G S S+ 0 0 64 -3,-0.2 4,-0.1 481,-0.1 482,-0.0 0.714 78.0 123.4 59.0 24.8 25.3 49.1 18.1 35 77 A D S S- 0 0 87 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.425 82.4-116.6 -92.3 1.1 27.9 51.8 18.9 36 78 A G S S+ 0 0 18 1,-0.2 483,-3.3 481,-0.1 2,-0.4 0.145 84.3 104.6 88.2 -18.4 29.4 51.0 15.5 37 79 A Y S S- 0 0 21 481,-0.2 -2,-0.3 482,-0.1 -4,-0.3 -0.810 74.8-114.6 -99.8 133.6 32.7 49.8 16.9 38 80 A G - 0 0 0 -11,-2.3 2,-0.3 -2,-0.4 -7,-0.3 -0.102 40.7-178.1 -58.7 164.1 33.5 46.1 17.0 39 81 A D > - 0 0 8 -9,-2.2 4,-1.5 1,-0.1 3,-0.2 -0.986 40.8 -96.3-161.1 168.6 33.8 44.3 20.3 40 82 A L H > S+ 0 0 0 44,-2.7 4,-2.8 -2,-0.3 3,-0.3 0.919 119.3 52.6 -56.6 -50.5 34.6 41.1 22.3 41 83 A N H > S+ 0 0 43 43,-0.4 4,-2.9 1,-0.3 -1,-0.2 0.863 104.5 60.8 -55.7 -33.0 30.9 40.1 22.8 42 84 A G H 4 S+ 0 0 0 -12,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.940 107.9 42.0 -58.2 -46.9 30.7 40.5 19.1 43 85 A V H >X S+ 0 0 0 -4,-1.5 3,-3.4 -3,-0.3 4,-0.7 0.989 113.5 52.0 -61.8 -58.0 33.3 37.8 18.7 44 86 A T H >< S+ 0 0 27 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.831 110.1 50.6 -45.5 -39.3 31.8 35.7 21.4 45 87 A Q T 3< S+ 0 0 95 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.421 111.9 46.7 -83.1 1.1 28.4 36.0 19.6 46 88 A K T X> S+ 0 0 28 -3,-3.4 4,-1.9 -4,-0.2 3,-0.8 0.257 75.9 109.8-121.5 6.7 29.9 34.9 16.3 47 89 A L H S+ 0 0 99 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.884 103.4 53.3 -71.0 -33.9 29.4 29.6 15.8 49 91 A Y H X> S+ 0 0 14 -3,-0.8 3,-0.7 1,-0.2 4,-0.6 0.934 110.8 48.5 -61.6 -44.1 30.1 31.3 12.5 50 92 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.2 1,-0.2 3,-0.7 0.804 104.6 58.8 -66.7 -30.0 33.8 30.7 13.1 51 93 A N H ><5S+ 0 0 46 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.747 94.0 65.8 -73.6 -21.3 33.2 27.1 14.1 52 94 A Q H <<5S+ 0 0 96 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.793 98.9 53.6 -67.1 -28.9 31.6 26.4 10.6 53 95 A L T <<5S- 0 0 0 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.596 110.1-128.3 -80.9 -10.1 35.1 27.1 9.2 54 96 A G T < 5 + 0 0 2 -3,-0.8 -34,-0.4 -4,-0.3 -3,-0.2 0.786 43.3 174.5 69.3 26.1 36.5 24.5 11.5 55 97 A V < - 0 0 0 -5,-1.2 -34,-0.2 1,-0.1 -1,-0.2 -0.379 26.7-157.3 -66.7 142.7 39.1 26.9 12.8 56 98 A K S S+ 0 0 55 -36,-3.5 47,-2.9 1,-0.2 2,-0.3 0.638 72.1 15.6 -94.5 -17.3 41.2 25.6 15.6 57 99 A A E -df 21 103B 0 -37,-1.2 -35,-2.3 45,-0.3 2,-0.4 -0.997 59.3-139.2-157.4 157.8 42.2 29.0 16.8 58 100 A L E -df 22 104B 0 45,-2.1 47,-3.6 -2,-0.3 2,-0.7 -0.949 9.8-155.2-118.0 135.6 41.6 32.8 16.8 59 101 A W E -df 23 105B 3 -37,-2.6 -35,-2.2 -2,-0.4 2,-0.3 -0.963 20.0-157.8-112.4 114.1 44.3 35.4 16.6 60 102 A L E -df 24 106B 0 45,-2.4 47,-0.7 -2,-0.7 -35,-0.2 -0.646 18.6-113.0 -91.4 149.8 42.8 38.6 18.1 61 103 A S - 0 0 3 -37,-0.6 46,-0.2 -2,-0.3 10,-0.1 -0.275 64.9 -57.1 -71.1 167.7 44.2 42.0 17.4 62 104 A P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 -0.217 53.4-169.9 -49.3 133.2 45.8 43.8 20.4 63 105 A I + 0 0 0 44,-0.3 18,-3.7 -3,-0.1 21,-0.1 0.275 47.0 101.5-111.6 10.8 43.2 44.0 23.2 64 106 A H S S- 0 0 2 16,-0.3 16,-0.2 7,-0.2 13,-0.1 -0.446 85.3 -80.5 -93.8 166.5 44.9 46.4 25.6 65 107 A P + 0 0 25 0, 0.0 10,-2.8 0, 0.0 11,-0.8 -0.359 69.6 148.6 -59.7 145.5 44.4 50.1 26.3 66 108 A C - 0 0 36 8,-0.3 8,-0.2 9,-0.2 3,-0.1 -0.789 55.3-103.4-157.7-160.8 46.2 52.1 23.7 67 109 A X S S+ 0 0 67 6,-0.5 2,-0.3 -2,-0.2 7,-0.1 0.724 91.4 45.9-112.3 -33.8 46.4 55.1 21.5 68 110 A S S > S- 0 0 28 1,-0.1 3,-1.2 5,-0.1 5,-0.2 -0.746 81.1-114.1-114.2 162.5 45.3 54.0 18.1 69 111 A Y T 3 S+ 0 0 54 -2,-0.3 -42,-0.2 1,-0.3 -1,-0.1 0.770 114.5 60.0 -61.5 -28.6 42.5 51.9 16.7 70 112 A H T 3 S- 0 0 36 1,-0.1 -1,-0.3 -44,-0.1 -44,-0.1 0.690 100.0-137.0 -77.0 -16.5 45.0 49.2 15.6 71 113 A G < + 0 0 3 -3,-1.2 3,-0.3 -10,-0.1 -7,-0.2 0.476 67.3 120.6 78.0 4.0 46.2 48.7 19.1 72 114 A Y + 0 0 21 1,-0.2 2,-0.2 -10,-0.1 40,-0.1 0.431 64.3 67.3 -82.4 2.7 49.9 48.5 18.5 73 115 A D S S- 0 0 0 -5,-0.2 -6,-0.5 235,-0.1 -1,-0.2 -0.517 81.7-168.8-117.2 61.9 50.7 51.4 20.7 74 116 A V - 0 0 0 -3,-0.3 40,-2.8 -2,-0.2 -8,-0.3 -0.196 25.3-174.6 -63.0 142.4 49.8 49.8 24.1 75 117 A T S S+ 0 0 34 -10,-2.8 2,-0.2 1,-0.2 -9,-0.2 0.456 77.2 21.7-110.7 -9.5 49.5 51.7 27.3 76 118 A D > - 0 0 45 -11,-0.8 3,-1.1 3,-0.1 -1,-0.2 -0.679 55.1-164.1-165.9 105.0 48.8 48.8 29.8 77 119 A Y T 3 S+ 0 0 5 1,-0.2 -14,-0.1 -2,-0.2 -1,-0.0 0.556 88.1 55.8 -68.9 -8.9 49.8 45.2 29.2 78 120 A T T 3 S+ 0 0 82 2,-0.0 -1,-0.2 256,-0.0 2,-0.2 0.529 98.4 66.7-104.2 -4.8 47.6 43.8 32.0 79 121 A K S < S- 0 0 102 -3,-1.1 2,-0.5 -14,-0.1 -3,-0.1 -0.596 74.4-114.9-115.3 175.3 44.2 45.2 31.0 80 122 A V - 0 0 3 -2,-0.2 -16,-0.3 -16,-0.2 7,-0.1 -0.911 42.9-103.2-107.9 131.1 41.5 45.0 28.4 81 123 A N >> - 0 0 22 -18,-3.7 3,-2.2 -2,-0.5 4,-1.1 -0.347 26.4-140.0 -54.3 119.3 40.8 48.0 26.2 82 124 A P T 34 S+ 0 0 102 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.824 100.1 59.6 -52.5 -36.0 37.6 49.6 27.6 83 125 A Q T 34 S+ 0 0 105 1,-0.2 3,-0.1 -44,-0.0 -2,-0.1 0.590 106.1 48.4 -72.3 -9.2 36.3 50.4 24.0 84 126 A L T <4 S- 0 0 5 -3,-2.2 -44,-2.7 1,-0.4 -43,-0.4 0.689 125.2 -77.5-101.6 -21.6 36.5 46.6 23.2 85 127 A G < - 0 0 14 -4,-1.1 -1,-0.4 -3,-0.3 2,-0.1 -0.925 56.0 -58.3 150.8-173.1 34.6 45.4 26.2 86 128 A T > - 0 0 74 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.444 49.9-103.0 -95.1 171.9 35.1 44.6 29.9 87 129 A E H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.827 126.2 50.9 -63.0 -30.0 37.6 42.3 31.6 88 130 A S H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 100.1 60.7 -74.8 -39.0 34.7 39.9 32.0 89 131 A D H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 108.6 46.9 -55.8 -36.6 33.6 40.2 28.4 90 132 A F H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 3,-0.4 0.974 108.0 52.1 -70.2 -55.2 37.1 38.8 27.6 91 133 A D H X S+ 0 0 56 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.842 110.2 51.4 -51.3 -34.0 37.0 35.9 30.1 92 134 A R H X S+ 0 0 131 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.901 105.3 54.3 -71.2 -38.8 33.7 34.8 28.7 93 135 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.4 5,-0.2 0.912 109.2 49.3 -58.8 -42.3 35.0 34.8 25.1 94 136 A V H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.950 112.0 48.7 -60.8 -49.1 37.8 32.5 26.3 95 137 A T H X S+ 0 0 75 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.935 115.3 42.4 -56.8 -52.6 35.2 30.3 28.0 96 138 A E H X S+ 0 0 66 -4,-3.1 4,-1.0 2,-0.2 -1,-0.2 0.917 113.2 52.7 -63.2 -44.1 32.9 30.0 25.0 97 139 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.7 -5,-0.3 3,-1.0 0.929 110.2 48.4 -57.5 -46.7 35.8 29.6 22.6 98 140 A H H ><5S+ 0 0 78 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.831 105.5 58.6 -63.8 -31.9 37.1 26.7 24.6 99 141 A N H 3<5S+ 0 0 112 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.727 109.3 45.5 -69.7 -19.2 33.7 25.2 24.8 100 142 A R T <<5S- 0 0 66 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.214 121.9-104.5-107.0 14.5 33.7 25.1 21.0 101 143 A G T < 5S+ 0 0 45 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.854 76.8 136.3 67.8 35.6 37.2 23.7 20.6 102 144 A I < - 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0 0 22 1,-0.1 -1,-0.0 -17,-0.1 0, 0.0 -0.969 59.7-142.9-141.3 156.5 36.1 54.4 10.5 522 564 A D S S+ 0 0 168 -2,-0.3 2,-1.9 1,-0.2 -1,-0.1 0.627 86.7 90.3 -85.5 -17.1 35.5 57.1 7.9 523 565 A K + 0 0 86 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 -0.570 61.8 136.0 -82.9 80.1 38.2 55.6 5.7 524 566 A T - 0 0 55 -2,-1.9 2,-0.9 -16,-0.1 -19,-0.1 -0.962 57.2-131.6-130.5 145.0 35.9 53.2 3.9 525 567 A D > - 0 0 60 -2,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.860 19.3-156.6 -95.7 103.0 35.6 52.3 0.2 526 568 A A T 3> S+ 0 0 67 -2,-0.9 4,-0.5 1,-0.3 3,-0.3 0.700 85.7 67.5 -54.8 -24.6 31.8 52.6 -0.4 527 569 A T H 3> S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.662 84.3 75.4 -72.9 -15.4 32.0 50.2 -3.4 528 570 A V H X> S+ 0 0 7 -3,-2.1 4,-2.7 1,-0.2 3,-1.1 0.959 96.3 42.1 -62.7 -53.3 32.8 47.3 -1.2 529 571 A S H 34 S+ 0 0 83 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.710 112.3 59.7 -67.4 -17.3 29.4 46.7 0.3 530 572 A K H 3< S+ 0 0 163 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.694 117.6 26.5 -82.9 -20.5 28.0 47.2 -3.2 531 573 A N H << S+ 0 0 107 -3,-1.1 2,-0.6 -4,-0.9 -2,-0.2 0.656 105.3 77.2-114.7 -25.0 29.9 44.4 -4.8 532 574 A V S < S- 0 0 17 -4,-2.7 2,-0.2 -5,-0.2 -38,-0.1 -0.793 76.8-130.1 -95.5 125.1 30.6 41.9 -2.0 533 575 A K - 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