==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-02 1J18 . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR H.MIYAKE,G.KURISU,M.KUSUNOKI,S.NISHIMURA,S.KITAMURA,Y.NITTA . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 1 1 0 1 0 2 0 1 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 PARALLEL BRIDGES PER LADDER . 1 1 4 0 0 1 0 1 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 0 1 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 1 A A > 0 0 1 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 174.8 15.3 -16.3 9.8 2 2 A V G > + 0 0 18 385,-2.4 3,-1.1 1,-0.2 452,-0.1 -0.307 360.0 28.3 -66.3 152.3 18.6 -16.2 11.8 3 3 A N G 3 S- 0 0 121 450,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.861 131.1 -70.1 65.5 37.9 19.7 -19.5 13.5 4 4 A G G < S+ 0 0 17 -3,-0.5 453,-1.6 449,-0.4 -1,-0.2 0.618 105.1 128.7 56.8 12.8 18.0 -21.7 10.9 5 5 A K < - 0 0 91 -3,-1.1 2,-0.2 451,-0.2 -1,-0.2 -0.207 47.6-142.2 -88.0-178.5 14.7 -20.6 12.3 6 6 A G - 0 0 16 1,-0.2 383,-0.2 -3,-0.1 -1,-0.1 -0.464 44.6 -43.7-126.8-160.4 11.6 -19.2 10.5 7 7 A M - 0 0 3 465,-0.8 -1,-0.2 438,-0.4 465,-0.1 -0.337 69.2 -92.9 -71.3 153.9 9.0 -16.5 11.3 8 8 A N > - 0 0 16 382,-0.4 3,-1.9 377,-0.4 -1,-0.1 -0.517 27.0-144.7 -69.4 124.3 7.5 -16.3 14.7 9 9 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 412,-0.1 0.710 99.4 56.6 -63.3 -18.7 4.2 -18.4 14.8 10 10 A D T 3 S+ 0 0 106 408,-0.1 381,-0.1 2,-0.1 -2,-0.1 0.386 77.9 141.8 -93.0 3.6 2.7 -15.8 17.2 11 11 A Y < + 0 0 1 -3,-1.9 2,-0.3 379,-0.1 381,-0.3 -0.171 24.2 176.4 -51.0 131.0 3.3 -13.0 14.8 12 12 A K E -a 392 0A 72 379,-0.9 381,-2.0 406,-0.1 2,-0.4 -0.974 24.1-134.8-136.4 148.2 0.4 -10.4 14.7 13 13 A A E -ab 393 43A 2 29,-0.6 31,-3.4 -2,-0.3 32,-0.8 -0.886 24.1-168.7-105.9 135.6 0.1 -7.1 12.8 14 14 A Y E -ab 394 45A 22 379,-3.3 381,-3.0 -2,-0.4 2,-0.4 -0.899 12.8-142.5-124.5 155.4 -1.2 -4.1 14.7 15 15 A L E -ab 395 46A 2 30,-2.1 32,-2.5 -2,-0.3 2,-0.4 -0.963 16.8-131.0-120.0 129.7 -2.4 -0.6 13.6 16 16 A M E - b 0 47A 9 379,-2.6 382,-3.2 -2,-0.4 381,-0.3 -0.639 23.5-134.0 -78.4 130.4 -1.8 2.6 15.5 17 17 A A - 0 0 2 30,-3.1 380,-0.1 -2,-0.4 32,-0.1 -0.238 38.5 -79.7 -73.7 169.6 -4.9 4.7 16.1 18 18 A P - 0 0 6 0, 0.0 31,-0.3 0, 0.0 -1,-0.2 -0.281 35.1-122.6 -67.2 162.5 -4.7 8.4 15.4 19 19 A L S S+ 0 0 13 79,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.873 95.0 62.1 -73.0 -38.6 -3.1 10.6 18.1 20 20 A K S S- 0 0 81 78,-0.2 29,-0.1 1,-0.2 5,-0.1 -0.410 107.6 -77.8 -83.5 164.1 -6.2 12.7 18.4 21 21 A K > - 0 0 54 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.266 44.1-113.0 -60.6 147.7 -9.6 11.4 19.5 22 22 A I G >> S+ 0 0 1 1,-0.3 4,-3.0 2,-0.2 3,-2.4 0.878 114.7 58.5 -49.6 -47.1 -11.5 9.5 16.8 23 23 A P G 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.712 99.3 60.2 -59.7 -18.9 -14.3 12.1 16.5 24 24 A E G <4 S+ 0 0 122 -3,-1.8 -2,-0.2 1,-0.1 3,-0.1 0.487 117.9 29.4 -86.7 -1.9 -11.7 14.7 15.7 25 25 A V T <4 S- 0 0 52 -3,-2.4 2,-0.2 1,-0.4 -3,-0.1 0.644 134.6 -26.7-122.5 -37.8 -10.7 12.7 12.6 26 26 A T S < S- 0 0 30 -4,-3.0 -1,-0.4 0, 0.0 2,-0.3 -0.776 76.6 -76.4-158.2-162.4 -13.8 10.9 11.5 27 27 A N > - 0 0 84 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.835 37.0-111.5-115.7 156.6 -17.1 9.6 13.1 28 28 A W H > S+ 0 0 37 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.819 114.8 51.0 -51.9 -40.3 -17.6 6.5 15.2 29 29 A E H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 113.4 44.1 -67.8 -43.9 -19.7 4.6 12.6 30 30 A T H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.5 57.4 -65.4 -39.3 -17.1 5.1 9.9 31 31 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.886 103.6 52.7 -57.2 -40.4 -14.4 4.2 12.4 32 32 A E H X S+ 0 0 26 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.880 109.6 48.4 -65.3 -36.0 -16.1 0.9 13.0 33 33 A N H X S+ 0 0 90 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.863 108.4 54.9 -70.9 -35.1 -16.1 0.2 9.3 34 34 A D H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.927 105.8 52.3 -62.0 -44.8 -12.4 1.2 9.1 35 35 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.892 108.8 49.4 -59.3 -40.6 -11.7 -1.4 11.8 36 36 A R H X S+ 0 0 98 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.898 111.0 50.6 -65.2 -38.9 -13.5 -4.1 9.8 37 37 A W H X S+ 0 0 86 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.918 109.8 50.9 -63.2 -43.2 -11.4 -3.0 6.8 38 38 A A H ><>S+ 0 0 1 -4,-2.9 5,-2.2 1,-0.2 3,-1.0 0.934 108.8 50.0 -60.5 -47.1 -8.3 -3.3 8.9 39 39 A K H ><5S+ 0 0 95 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.890 106.6 56.3 -59.2 -39.0 -9.1 -6.8 10.1 40 40 A Q H 3<5S+ 0 0 130 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.741 105.5 53.0 -65.8 -22.1 -9.7 -7.8 6.5 41 41 A N T <<5S- 0 0 7 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.196 130.1 -89.9 -99.0 15.6 -6.2 -6.6 5.7 42 42 A G T < 5S+ 0 0 22 -3,-1.7 -29,-0.6 1,-0.3 2,-0.4 0.525 78.0 141.4 94.2 4.7 -4.5 -8.7 8.3 43 43 A F E < -b 13 0A 4 -5,-2.2 -1,-0.3 1,-0.2 -29,-0.2 -0.690 31.0-168.3 -83.4 131.6 -4.5 -6.3 11.3 44 44 A Y E - 0 0 92 -31,-3.4 37,-0.5 -2,-0.4 2,-0.3 0.811 65.3 -9.7 -87.3 -33.5 -5.2 -8.2 14.6 45 45 A A E -b 14 0A 0 -32,-0.8 -30,-2.1 35,-0.1 2,-0.5 -0.989 61.2-115.8-160.5 163.5 -5.8 -5.1 16.8 46 46 A I E -bc 15 82A 1 35,-2.0 37,-2.7 -2,-0.3 2,-0.4 -0.906 23.9-145.9-108.4 131.5 -5.6 -1.4 17.0 47 47 A T E -bc 16 83A 1 -32,-2.5 -30,-3.1 -2,-0.5 2,-0.4 -0.790 22.6-171.7 -94.2 142.6 -3.2 0.2 19.5 48 48 A V E - c 0 84A 4 35,-2.1 37,-2.5 -2,-0.4 2,-0.5 -0.989 24.2-129.6-145.1 133.6 -4.5 3.5 21.0 49 49 A D E - c 0 85A 20 -2,-0.4 2,-0.7 -31,-0.3 37,-0.2 -0.651 16.6-167.6 -77.5 122.6 -3.1 6.2 23.2 50 50 A F E - c 0 86A 4 35,-2.6 37,-1.5 -2,-0.5 2,-0.3 -0.961 26.4-136.1-110.2 108.1 -5.3 7.0 26.2 51 51 A W E >> - c 0 87A 11 -2,-0.7 4,-2.1 1,-0.1 3,-1.7 -0.492 13.2-146.1 -74.9 131.8 -3.8 10.3 27.4 52 52 A W H 3> S+ 0 0 0 35,-2.5 4,-1.8 37,-0.3 -1,-0.1 0.894 104.5 62.3 -57.2 -38.8 -3.3 10.9 31.1 53 53 A G H 34 S+ 0 0 2 34,-0.4 -1,-0.3 48,-0.3 52,-0.1 0.726 109.9 39.0 -59.6 -23.5 -4.1 14.5 30.2 54 54 A D H <4 S+ 0 0 36 -3,-1.7 3,-0.3 47,-0.1 -1,-0.2 0.741 116.3 49.5 -96.1 -30.5 -7.5 13.4 29.1 55 55 A M H < S+ 0 0 8 -4,-2.1 9,-1.6 1,-0.2 -2,-0.2 0.613 128.0 16.6 -87.4 -13.6 -8.3 10.9 31.8 56 56 A E S < S+ 0 0 0 -4,-1.8 -1,-0.2 7,-0.2 7,-0.1 -0.151 80.7 137.1-152.9 45.8 -7.3 12.9 34.9 57 57 A K + 0 0 114 -3,-0.3 49,-0.4 1,-0.2 48,-0.2 0.909 66.5 47.0 -62.1 -54.4 -7.3 16.5 33.8 58 58 A N S S- 0 0 127 4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.826 119.3 -47.1 -65.7 -36.5 -9.1 18.5 36.5 59 59 A G S > S- 0 0 6 3,-0.4 3,-2.3 46,-0.0 -1,-0.2 -0.977 77.3 -39.5 176.3 171.9 -7.3 17.0 39.5 60 60 A D T 3 S+ 0 0 57 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.240 123.7 2.1 -52.7 127.7 -6.1 14.1 41.6 61 61 A Q T 3 S+ 0 0 88 1,-0.2 2,-0.9 80,-0.1 -1,-0.3 0.617 93.5 125.6 68.2 15.5 -8.5 11.2 41.4 62 62 A Q < - 0 0 108 -3,-2.3 -3,-0.4 -6,-0.1 -4,-0.4 -0.732 44.7-176.6-105.0 81.9 -10.9 13.1 39.1 63 63 A F - 0 0 56 -2,-0.9 2,-0.3 -7,-0.1 -7,-0.2 -0.437 26.0-176.9 -86.3 153.9 -11.1 10.5 36.3 64 64 A D + 0 0 87 -9,-1.6 3,-0.2 -2,-0.1 4,-0.2 -0.815 15.8 158.4-148.1 98.7 -12.8 10.4 32.9 65 65 A F > + 0 0 18 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.170 43.6 110.0-107.9 16.4 -12.6 7.2 31.0 66 66 A S H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.878 76.7 50.6 -60.2 -41.5 -15.6 7.8 28.8 67 67 A Y H > S+ 0 0 39 1,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.961 112.7 47.8 -61.4 -47.9 -13.6 8.4 25.7 68 68 A A H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.889 113.6 46.5 -58.1 -44.0 -11.8 5.1 26.3 69 69 A Q H X S+ 0 0 64 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.922 112.8 49.8 -65.9 -43.7 -15.0 3.2 27.0 70 70 A R H X S+ 0 0 99 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.925 112.4 48.0 -60.1 -45.0 -16.7 4.8 23.9 71 71 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.949 111.6 49.7 -60.2 -49.7 -13.6 3.7 21.8 72 72 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.872 106.8 56.6 -58.1 -38.2 -13.7 0.2 23.3 73 73 A Q H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.936 108.5 45.6 -60.1 -47.7 -17.4 0.0 22.5 74 74 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.871 110.2 54.2 -64.2 -37.2 -16.8 0.7 18.8 75 75 A V H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.924 109.7 48.5 -61.1 -43.3 -13.9 -1.7 18.8 76 76 A K H ><5S+ 0 0 63 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.923 108.6 53.6 -61.7 -45.3 -16.4 -4.3 20.1 77 77 A N H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 107.7 50.7 -59.7 -34.4 -19.0 -3.4 17.5 78 78 A A T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.500 112.7-120.3 -82.2 -4.0 -16.4 -4.0 14.7 79 79 A G T < 5S+ 0 0 47 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.865 71.3 132.3 66.3 35.3 -15.5 -7.4 16.2 80 80 A M < - 0 0 4 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.480 53.7-122.2-110.7-179.6 -12.0 -6.1 16.6 81 81 A K - 0 0 67 -37,-0.5 -35,-2.0 -2,-0.2 2,-0.3 -0.850 21.9-158.3-121.1 158.6 -9.3 -6.1 19.3 82 82 A M E -cd 46 160A 0 77,-3.0 79,-2.2 -2,-0.3 80,-0.8 -0.981 14.6-151.8-141.0 152.7 -7.5 -3.2 20.9 83 83 A I E -c 47 0A 0 -37,-2.7 -35,-2.1 -2,-0.3 80,-0.2 -0.912 22.6-150.9-124.9 99.4 -4.3 -2.5 22.8 84 84 A P E -c 48 0A 0 0, 0.0 80,-3.0 0, 0.0 2,-0.5 -0.432 1.3-153.2 -70.4 143.1 -4.7 0.4 25.1 85 85 A I E -ce 49 164A 3 -37,-2.5 -35,-2.6 78,-0.2 2,-1.9 -0.986 11.8-142.7-116.5 119.3 -1.6 2.5 25.9 86 86 A I E -ce 50 165A 0 78,-2.4 2,-1.6 -2,-0.5 80,-0.8 -0.647 25.2-158.9 -81.6 86.5 -1.8 4.2 29.3 87 87 A S E +c 51 0A 0 -2,-1.9 -35,-2.5 -37,-1.5 -34,-0.4 -0.513 25.8 169.2 -76.9 86.7 -0.0 7.3 28.0 88 88 A T + 0 0 0 -2,-1.6 42,-0.5 -37,-0.2 2,-0.3 0.116 57.6 83.0 -82.3 22.0 1.3 9.0 31.0 89 89 A H S S- 0 0 7 40,-0.1 -37,-0.3 13,-0.1 -36,-0.3 -0.827 88.9 -89.9-123.2 164.0 3.3 11.3 28.7 90 90 A Q - 0 0 46 38,-2.4 2,-0.6 -2,-0.3 80,-0.4 -0.466 28.3-138.8 -75.6 140.2 2.5 14.4 26.7 91 91 A a B S+J 101 0B 0 10,-2.1 10,-2.3 -2,-0.2 2,-0.0 -0.884 72.4 49.2 -96.3 126.4 1.2 14.3 23.2 92 92 A G S S+ 0 0 9 -2,-0.6 8,-0.1 8,-0.2 3,-0.1 0.113 80.5 58.7 116.4 130.1 2.8 17.0 21.1 93 93 A G S S+ 0 0 70 1,-0.4 87,-0.3 4,-0.2 2,-0.2 0.190 83.6 96.7 108.3 -17.6 6.4 18.0 20.6 94 94 A N S > S- 0 0 21 1,-0.1 3,-2.5 85,-0.1 -1,-0.4 -0.694 89.5 -69.3-105.8 161.4 7.7 14.6 19.3 95 95 A V T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.181 119.5 6.9 -51.2 124.3 8.3 13.4 15.7 96 96 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.376 90.1 150.9 84.7 -4.2 5.0 12.9 13.9 97 97 A D < + 0 0 47 -3,-2.5 -1,-0.3 1,-0.1 2,-0.3 -0.427 20.1 172.8 -66.8 128.8 2.9 14.4 16.7 98 98 A D + 0 0 103 -2,-0.2 2,-0.3 -3,-0.1 -78,-0.2 -0.726 55.7 64.2-133.7 76.5 -0.3 16.0 15.5 99 99 A a - 0 0 24 -2,-0.3 -6,-0.1 -80,-0.1 2,-0.1 -0.966 64.3-135.6-176.6-179.6 -1.9 16.8 18.9 100 100 A N + 0 0 125 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.513 41.3 139.3-161.7 82.6 -1.6 18.7 22.1 101 101 A V B -J 91 0B 22 -10,-2.3 -10,-2.1 -2,-0.1 -48,-0.3 -0.764 26.2-172.1-132.4 86.7 -2.3 16.8 25.3 102 102 A P - 0 0 62 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.300 39.4 -92.2 -70.5 162.0 0.2 17.6 28.2 103 103 A I S S- 0 0 5 24,-0.4 -50,-0.1 1,-0.2 -13,-0.1 -0.436 71.4 -58.4 -72.3 156.9 -0.1 15.5 31.3 104 104 A P > - 0 0 3 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.023 47.4-139.3 -37.9 122.4 -2.4 16.9 34.0 105 105 A S G > S+ 0 0 96 1,-0.2 3,-0.7 -48,-0.2 4,-0.1 0.766 97.2 64.6 -59.6 -27.1 -1.2 20.4 34.9 106 106 A W G > S+ 0 0 28 -49,-0.4 3,-2.5 1,-0.2 -1,-0.2 0.802 83.0 74.5 -69.1 -29.5 -1.9 19.7 38.6 107 107 A V G X S+ 0 0 0 -3,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.840 86.6 63.9 -53.3 -34.0 0.7 16.9 38.9 108 108 A W G < S+ 0 0 39 -3,-0.7 3,-0.4 -4,-0.4 -1,-0.3 0.623 95.6 60.2 -68.2 -9.9 3.5 19.5 38.9 109 109 A N G < S+ 0 0 135 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.286 77.1 89.6 -99.1 8.8 2.1 20.9 42.1 110 110 A Q S < S+ 0 0 80 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.2 0.601 95.5 35.3 -79.2 -11.1 2.6 17.7 44.0 111 111 A K - 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0 0 41 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.449 58.8-139.9-104.1 177.8 39.8 11.9 41.7 224 224 A K + 0 0 173 -2,-0.1 -9,-0.1 -3,-0.1 2,-0.0 -0.291 32.8 171.2-132.9 45.6 40.5 14.6 44.3 225 225 A L - 0 0 39 -11,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.360 24.1-153.0 -59.7 136.2 37.1 15.9 45.0 226 226 A I S S+ 0 0 164 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.805 71.2 7.6 -83.5 -32.3 37.2 18.3 48.0 227 227 A S S > S- 0 0 42 1,-0.1 3,-2.1 -13,-0.1 4,-0.2 -0.949 76.5-104.1-146.0 165.7 33.6 17.8 49.2 228 228 A E G > S+ 0 0 89 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.816 116.9 67.7 -59.3 -30.0 30.6 15.6 48.6 229 229 A L G 3 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.0 -25,-0.0 0.643 87.8 66.9 -66.4 -13.0 29.1 18.5 46.8 230 230 A A G < S+ 0 0 38 -3,-2.1 2,-0.9 2,-0.1 -1,-0.3 0.578 74.6 99.3 -83.0 -10.8 31.7 18.0 44.1 231 231 A I < + 0 0 0 -3,-2.0 -27,-0.2 -4,-0.2 -28,-0.1 -0.700 58.8 146.5 -77.3 109.4 30.1 14.7 43.2 232 232 A L - 0 0 74 -2,-0.9 3,-0.1 -29,-0.1 -37,-0.1 -0.933 53.7 -95.3-144.4 165.0 28.1 15.7 40.2 233 233 A P S S- 0 0 7 0, 0.0 -1,-0.0 0, 0.0 -33,-0.0 -0.243 77.3 -55.1 -70.2 172.1 26.8 14.6 36.8 234 234 A P - 0 0 7 0, 0.0 3,-0.3 0, 0.0 -40,-0.1 -0.228 43.8-162.4 -54.2 130.1 29.0 15.5 33.8 235 235 A S S S+ 0 0 127 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.721 88.6 40.9 -84.4 -23.5 29.7 19.2 33.6 236 236 A D > - 0 0 79 1,-0.1 4,-2.5 2,-0.0 -1,-0.3 -0.828 68.7-173.4-127.6 91.6 30.8 18.9 30.0 237 237 A G H > S+ 0 0 1 -2,-0.5 4,-2.1 -3,-0.3 5,-0.2 0.842 85.2 52.1 -51.6 -40.8 28.5 16.5 28.1 238 238 A E H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.947 110.7 45.5 -63.0 -52.0 30.6 16.6 25.0 239 239 A Q H >>S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-1.9 0.883 111.2 55.0 -60.7 -37.6 33.9 15.8 26.8 240 240 A F H <>S+ 0 0 2 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.936 110.2 45.0 -61.1 -45.6 32.1 13.0 28.7 241 241 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.731 113.0 52.4 -70.1 -23.9 30.9 11.4 25.5 242 242 A M H <5S- 0 0 76 -4,-1.6 -2,-0.2 58,-0.2 -1,-0.2 0.922 142.1 -31.3 -78.5 -46.6 34.3 11.8 23.9 243 243 A N T ><5S+ 0 0 81 -4,-2.5 3,-1.4 -5,-0.1 4,-0.4 0.495 115.6 86.7-149.1 -18.5 36.3 10.1 26.7 244 244 A G G > S- 0 0 51 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 -0.183 92.1-110.3 -72.2 165.7 36.6 6.2 33.4 248 248 A M H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 123.6 55.1 -63.4 -33.2 35.3 4.5 36.5 249 249 A Y H > S+ 0 0 37 -28,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.959 107.8 48.1 -62.0 -49.8 33.4 7.7 37.2 250 250 A G H > S+ 0 0 0 -6,-0.6 4,-2.6 1,-0.2 5,-0.2 0.900 110.8 50.1 -57.0 -45.1 31.8 7.4 33.7 251 251 A K H X S+ 0 0 123 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.911 114.0 45.9 -61.3 -42.6 30.9 3.8 34.3 252 252 A D H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 112.1 50.4 -66.9 -44.9 29.3 4.7 37.6 253 253 A Y H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.939 113.9 44.6 -59.0 -46.9 27.5 7.7 36.3 254 254 A L H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.835 109.8 55.7 -67.9 -31.9 26.0 5.7 33.4 255 255 A E H X S+ 0 0 95 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.936 114.1 40.7 -64.4 -45.8 25.2 2.8 35.7 256 256 A W H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.958 115.4 50.8 -64.2 -53.4 23.1 5.2 37.8 257 257 A Y H X S+ 0 0 2 -4,-3.1 4,-0.8 1,-0.2 3,-0.3 0.923 119.4 35.2 -53.4 -51.9 21.7 7.0 34.9 258 258 A Q H >X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 3,-0.7 0.879 110.3 66.3 -71.6 -34.6 20.5 3.9 33.1 259 259 A G H 3X S+ 0 0 11 -4,-2.2 4,-2.4 -5,-0.4 5,-0.2 0.826 93.1 59.9 -53.8 -36.1 19.7 2.3 36.4 260 260 A I H 3X S+ 0 0 12 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.3 0.910 106.2 46.8 -59.9 -42.7 16.9 4.8 37.0 261 261 A L H S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.1 5,-1.6 0.792 95.4 79.5-112.3 -34.6 -4.5 -5.7 35.4 277 277 A D T <5S+ 0 0 63 -4,-1.8 -3,-0.1 -5,-0.4 -2,-0.1 0.845 102.6 40.4 -46.1 -45.1 -3.5 -9.3 35.8 278 278 A T T 45S+ 0 0 129 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.954 121.7 39.9 -71.7 -49.5 -6.7 -10.3 37.7 279 279 A T T 45S+ 0 0 32 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.921 139.3 4.8 -67.3 -47.6 -9.2 -8.2 35.6 280 280 A F T <5S- 0 0 3 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.1 0.783 72.9-157.1-109.0 -38.4 -7.8 -8.8 32.1 281 281 A Q < + 0 0 152 -5,-1.6 -4,-0.1 1,-0.2 -3,-0.1 0.966 44.7 137.1 55.7 57.2 -4.9 -11.2 32.4 282 282 A V - 0 0 25 1,-0.1 -1,-0.2 -6,-0.0 -120,-0.2 -0.857 62.4 -79.6-128.2 162.9 -3.2 -10.1 29.2 283 283 A P - 0 0 69 0, 0.0 -120,-1.9 0, 0.0 2,-0.4 -0.288 43.3-152.5 -60.7 149.9 0.4 -9.5 28.2 284 284 A I E +f 163 0A 1 40,-0.4 42,-2.8 -122,-0.2 2,-0.3 -0.972 18.1 178.5-124.7 140.6 1.7 -6.1 29.3 285 285 A G E -fg 164 326A 0 -122,-2.1 -120,-2.6 -2,-0.4 2,-0.3 -0.891 18.9-157.9-140.9 171.4 4.5 -4.2 27.5 286 286 A A E - g 0 327A 1 40,-2.1 42,-1.5 -2,-0.3 2,-0.3 -0.903 24.9-113.1-140.7 167.5 6.7 -1.1 27.4 287 287 A K E - g 0 328A 15 -116,-0.5 -114,-3.3 -122,-0.4 2,-0.4 -0.841 12.5-160.9-117.2 148.0 8.6 0.6 24.6 288 288 A I E - g 0 329A 0 40,-2.8 42,-1.8 -2,-0.3 2,-0.1 -0.973 25.8-126.8-120.3 132.3 12.3 1.3 23.8 289 289 A A - 0 0 0 -2,-0.4 2,-1.0 -116,-0.4 42,-0.1 -0.431 11.3-127.9 -79.3 153.0 13.2 4.0 21.3 290 290 A G - 0 0 8 40,-0.1 2,-1.6 -2,-0.1 3,-0.2 -0.775 27.8-179.3-100.3 86.3 15.5 3.5 18.3 291 291 A V + 0 0 0 -2,-1.0 14,-0.2 1,-0.2 13,-0.2 -0.659 15.5 160.0 -88.7 83.7 18.0 6.2 18.8 292 292 A H > + 0 0 13 -2,-1.6 53,-1.8 12,-0.1 3,-0.8 0.594 35.7 94.6 -84.9 -15.1 20.0 5.4 15.7 293 293 A W T 3 S+ 0 0 14 1,-0.2 11,-0.5 51,-0.2 12,-0.3 -0.497 88.0 19.2 -82.9 152.6 21.9 8.6 15.1 294 294 A Q T > S+ 0 0 11 48,-3.2 9,-1.5 -2,-0.2 8,-0.8 0.645 84.9 135.7 64.9 16.8 25.5 9.3 16.4 295 295 A Y T < S+ 0 0 36 48,-1.7 7,-1.3 -3,-0.8 49,-0.2 0.954 79.0 19.9 -57.9 -55.0 25.7 5.5 16.6 296 296 A N T 3 S+ 0 0 61 47,-1.0 -1,-0.2 5,-0.2 47,-0.1 -0.065 82.3 147.1-109.8 33.0 29.1 5.2 15.1 297 297 A N < - 0 0 20 -3,-0.8 6,-0.1 3,-0.4 42,-0.0 -0.576 41.2-148.8 -69.4 119.6 30.4 8.7 15.6 298 298 A P S S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.876 94.5 43.9 -56.6 -41.3 34.2 8.3 16.1 299 299 A T S S+ 0 0 74 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.919 129.7 21.7 -72.6 -48.0 34.4 11.3 18.4 300 300 A I S > S- 0 0 11 -57,-0.0 3,-1.6 -6,-0.0 -3,-0.4 -0.659 84.4-150.2-125.4 77.5 31.3 10.7 20.5 301 301 A P T 3 S- 0 0 29 0, 0.0 -5,-0.2 0, 0.0 -6,-0.2 -0.173 82.5 -5.6 -48.5 126.7 30.4 7.0 20.3 302 302 A H T 3> S+ 0 0 60 -7,-1.3 4,-2.0 -8,-0.8 -7,-0.2 0.898 86.0 170.9 50.2 44.3 26.7 6.4 20.6 303 303 A G T <4 S+ 0 0 0 -3,-1.6 -113,-2.0 -9,-1.5 -9,-0.1 0.507 71.0 38.2 -64.4 -8.8 26.4 10.1 21.3 304 304 A A T > S+ 0 0 1 -11,-0.5 4,-1.1 -115,-0.3 -1,-0.2 0.695 112.5 54.4-110.2 -34.3 22.6 10.1 21.2 305 305 A E H >>S+ 0 0 2 -12,-0.3 5,-2.9 -14,-0.2 4,-0.8 0.927 103.4 53.6 -66.9 -48.3 21.8 6.8 22.9 306 306 A K H ><5S+ 0 0 11 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.916 110.2 46.6 -58.1 -44.6 23.8 7.3 26.1 307 307 A P H 345S+ 0 0 0 0, 0.0 -114,-0.4 0, 0.0 -1,-0.2 0.837 108.2 57.6 -66.7 -27.8 22.1 10.7 26.9 308 308 A A H 3<5S- 0 0 0 -4,-1.1 -133,-2.4 -3,-0.2 -2,-0.2 0.669 129.7-101.4 -72.4 -16.1 18.7 9.0 26.1 309 309 A G T <<5S+ 0 0 1 -3,-1.0 2,-1.0 -4,-0.8 3,-0.3 0.411 84.8 126.6 109.7 3.7 19.7 6.5 28.8 310 310 A Y < + 0 0 4 -5,-2.9 3,-0.1 1,-0.2 -2,-0.1 -0.744 13.5 128.8-100.2 92.7 20.8 3.6 26.6 311 311 A N S S+ 0 0 69 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.738 79.6 22.6-108.0 -35.8 24.3 2.5 27.6 312 312 A D > - 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