==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-04 1VEM . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.HIRATA,M.ADACHI,S.UTSUMI,B.MIKAMI . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.2 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 . 3 0.6 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 . 30 5.8 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 1 1 1 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 2 2 3 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 0 PARALLEL BRIDGES PER LADDER . 1 2 3 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 0 1 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 4 0, 0.0 3,-1.0 0, 0.0 387,-0.2 0.000 360.0 360.0 360.0 178.0 35.2 16.9 22.0 2 2 A V G > + 0 0 39 385,-2.2 3,-1.3 1,-0.2 452,-0.1 -0.276 360.0 20.5 -61.7 146.2 32.0 17.2 19.8 3 3 A N G 3 S- 0 0 129 450,-0.4 -1,-0.2 1,-0.2 451,-0.1 0.762 131.3 -69.2 66.1 27.1 30.8 14.0 18.2 4 4 A G G < S+ 0 0 16 -3,-1.0 453,-1.9 449,-0.5 -1,-0.2 0.562 103.9 124.0 71.0 8.6 32.6 11.8 20.7 5 5 A K < - 0 0 120 -3,-1.3 -1,-0.2 451,-0.2 2,-0.2 -0.261 53.6-127.9 -90.7-179.4 36.0 12.7 19.3 6 6 A G - 0 0 18 1,-0.3 -1,-0.1 -3,-0.1 440,-0.1 -0.454 45.5 -53.7-115.3-168.6 39.0 14.2 21.1 7 7 A M - 0 0 3 465,-0.6 -1,-0.3 438,-0.4 465,-0.2 -0.191 68.6 -84.5 -66.7 162.1 41.2 17.2 20.4 8 8 A N > - 0 0 18 382,-0.4 3,-2.1 377,-0.3 -1,-0.1 -0.534 30.7-146.5 -70.6 120.0 42.9 17.7 17.0 9 9 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 412,-0.1 0.704 98.1 57.0 -60.7 -18.5 46.2 15.8 16.9 10 10 A D T 3 S+ 0 0 104 408,-0.1 381,-0.1 2,-0.0 -2,-0.1 0.387 77.3 141.7 -93.4 3.7 47.7 18.5 14.7 11 11 A Y < + 0 0 4 -3,-2.1 2,-0.3 379,-0.1 381,-0.2 -0.143 22.4 171.8 -50.6 134.3 47.0 21.3 17.2 12 12 A K E -a 392 0A 66 379,-0.8 381,-1.8 406,-0.1 2,-0.4 -0.989 26.1-133.0-144.7 147.1 49.7 23.9 17.4 13 13 A A E -ab 393 43A 3 29,-0.6 31,-3.2 -2,-0.3 32,-0.8 -0.863 22.4-168.5-105.2 139.1 49.9 27.3 19.2 14 14 A Y E -ab 394 45A 22 379,-3.2 381,-2.6 -2,-0.4 2,-0.4 -0.833 11.3-140.9-123.0 160.5 51.2 30.4 17.5 15 15 A L E -ab 395 46A 1 30,-2.1 32,-2.6 -2,-0.3 2,-0.3 -0.981 15.7-129.4-126.1 133.2 52.2 33.9 18.7 16 16 A M E - b 0 47A 10 379,-2.6 382,-2.5 -2,-0.4 381,-0.3 -0.638 23.0-136.7 -81.2 134.6 51.5 37.2 17.0 17 17 A A - 0 0 3 30,-2.3 380,-0.1 -2,-0.3 381,-0.1 -0.260 38.2 -78.0 -79.2 172.5 54.5 39.5 16.6 18 18 A P - 0 0 7 0, 0.0 31,-0.4 0, 0.0 -1,-0.2 -0.277 34.8-123.4 -66.9 162.9 54.2 43.2 17.3 19 19 A L S S+ 0 0 17 79,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.814 95.4 66.3 -76.0 -30.3 52.6 45.4 14.6 20 20 A K S S- 0 0 77 1,-0.1 29,-0.1 78,-0.1 5,-0.1 -0.462 104.5 -85.1 -86.5 162.6 55.7 47.5 14.4 21 21 A K > - 0 0 66 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.367 40.5-114.6 -65.9 146.0 59.1 46.3 13.2 22 22 A I G >> S+ 0 0 1 1,-0.3 4,-3.2 2,-0.2 3,-2.4 0.868 114.7 60.4 -50.3 -44.1 61.2 44.6 15.9 23 23 A P G 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.608 100.9 56.8 -62.5 -9.9 63.9 47.3 15.8 24 24 A E G <4 S+ 0 0 127 -3,-2.3 -2,-0.2 1,-0.0 3,-0.1 0.446 118.5 31.6 -96.9 -3.1 61.2 49.8 16.9 25 25 A V T <4 S- 0 0 57 -3,-2.4 2,-0.2 1,-0.4 -3,-0.1 0.696 130.7 -31.7-119.5 -44.2 60.4 47.7 19.9 26 26 A T S < S- 0 0 35 -4,-3.2 -1,-0.4 3,-0.0 2,-0.3 -0.738 73.4 -73.6-155.9-158.6 63.6 46.0 21.0 27 27 A N > - 0 0 73 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.758 40.1-110.5-111.6 163.0 66.9 44.7 19.6 28 28 A W H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.833 114.5 56.9 -62.7 -33.2 67.4 41.5 17.6 29 29 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.958 110.6 42.6 -63.3 -49.9 69.3 39.8 20.4 30 30 A T H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 112.7 55.4 -62.4 -38.3 66.5 40.2 22.9 31 31 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 106.8 49.6 -60.6 -44.3 64.0 39.2 20.2 32 32 A E H X S+ 0 0 28 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.890 111.4 48.7 -63.1 -38.5 65.9 36.0 19.6 33 33 A N H X S+ 0 0 81 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.870 108.6 54.5 -68.8 -35.8 66.0 35.2 23.4 34 34 A D H X S+ 0 0 22 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.884 107.0 51.3 -63.4 -38.8 62.2 36.0 23.5 35 35 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.874 107.7 51.1 -67.0 -37.6 61.6 33.4 20.8 36 36 A R H X S+ 0 0 98 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.883 112.0 48.9 -65.9 -36.6 63.6 30.8 22.6 37 37 A W H X S+ 0 0 88 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.905 109.7 50.8 -67.7 -42.9 61.4 31.6 25.7 38 38 A A H ><>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 3,-0.8 0.918 108.1 53.0 -62.4 -41.5 58.2 31.3 23.6 39 39 A K H ><5S+ 0 0 113 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.875 103.6 56.7 -62.2 -37.3 59.3 28.0 22.3 40 40 A Q H 3<5S+ 0 0 133 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.745 105.3 53.9 -66.0 -22.8 59.8 26.7 25.8 41 41 A N T <<5S- 0 0 7 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.170 129.8 -87.0 -99.1 17.6 56.2 27.6 26.6 42 42 A G T < 5S+ 0 0 25 -3,-1.5 -29,-0.6 1,-0.3 2,-0.4 0.481 77.9 140.9 97.1 1.4 54.6 25.6 23.8 43 43 A F E < -b 13 0A 3 -5,-2.0 -1,-0.3 1,-0.2 -29,-0.2 -0.665 28.3-172.3 -82.8 132.2 54.6 28.1 20.9 44 44 A Y E - 0 0 86 -31,-3.2 37,-0.7 -2,-0.4 2,-0.3 0.801 64.8 -5.6 -90.5 -35.9 55.4 26.5 17.5 45 45 A A E -bc 14 81A 0 -32,-0.8 -30,-2.1 35,-0.1 2,-0.4 -0.982 59.4-121.9-156.5 164.7 55.7 29.6 15.4 46 46 A I E -bc 15 82A 1 35,-1.9 37,-2.5 -2,-0.3 2,-0.3 -0.936 22.8-145.4-113.6 132.3 55.4 33.4 15.3 47 47 A T E -bc 16 83A 2 -32,-2.6 -30,-2.3 -2,-0.4 2,-0.4 -0.748 22.0-174.0 -94.6 148.0 53.1 35.1 12.8 48 48 A V E - c 0 84A 5 35,-2.1 37,-2.7 -2,-0.3 2,-0.4 -0.991 24.2-127.6-149.9 137.3 54.1 38.4 11.5 49 49 A D E - c 0 85A 23 -31,-0.4 2,-0.7 -2,-0.4 37,-0.2 -0.682 15.0-166.9 -81.4 128.3 52.7 41.2 9.2 50 50 A F E - c 0 86A 4 35,-2.4 37,-1.4 -2,-0.4 2,-0.3 -0.972 26.7-136.9-114.0 107.9 54.9 42.2 6.3 51 51 A W E >> - c 0 87A 12 -2,-0.7 4,-2.2 1,-0.1 3,-2.0 -0.511 12.4-145.8 -74.2 130.0 53.3 45.4 5.2 52 52 A W H 3> S+ 0 0 0 35,-2.6 4,-2.0 1,-0.3 -1,-0.1 0.889 103.8 64.8 -57.2 -36.9 52.8 46.2 1.5 53 53 A G H 34 S+ 0 0 5 34,-0.4 -1,-0.3 36,-0.3 52,-0.1 0.694 109.2 38.3 -59.8 -19.8 53.4 49.8 2.5 54 54 A D H X4 S+ 0 0 35 -3,-2.0 3,-0.5 47,-0.1 -2,-0.2 0.785 115.4 50.1 -98.1 -37.7 56.9 48.8 3.5 55 55 A M H 3< S+ 0 0 8 -4,-2.2 9,-1.7 1,-0.2 -2,-0.2 0.699 126.9 18.7 -78.5 -21.6 57.7 46.3 0.7 56 56 A E T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 7,-0.2 7,-0.1 -0.218 83.3 132.5-143.6 47.5 56.7 48.3 -2.3 57 57 A K < + 0 0 114 -3,-0.5 49,-0.3 1,-0.2 48,-0.2 0.930 65.8 49.3 -66.7 -54.2 56.7 51.9 -1.0 58 58 A N S S- 0 0 123 4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.837 120.3 -51.2 -61.1 -38.2 58.7 53.9 -3.5 59 59 A G S > S- 0 0 6 3,-0.5 3,-2.2 46,-0.0 -1,-0.2 -0.983 76.8 -38.2 176.1 175.1 56.9 52.7 -6.6 60 60 A D T 3 S+ 0 0 64 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.314 124.7 0.7 -57.2 127.7 55.5 49.9 -8.8 61 61 A Q T 3 S+ 0 0 93 1,-0.2 2,-1.1 -5,-0.1 -1,-0.3 0.555 95.3 124.3 69.1 9.8 58.0 47.0 -8.9 62 62 A Q < - 0 0 107 -3,-2.2 -3,-0.5 -6,-0.1 -4,-0.4 -0.723 45.6-177.4-100.3 81.7 60.4 48.8 -6.5 63 63 A F - 0 0 59 -2,-1.1 2,-0.3 -7,-0.1 -7,-0.2 -0.438 24.5-174.4 -86.6 154.8 60.6 46.1 -3.8 64 64 A D + 0 0 81 -9,-1.7 3,-0.2 -2,-0.1 4,-0.2 -0.842 15.4 160.9-148.6 102.6 62.4 46.0 -0.5 65 65 A F > + 0 0 20 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 0.128 42.2 114.3-108.2 17.2 62.3 42.7 1.4 66 66 A S H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 77.7 47.3 -57.7 -40.3 65.3 43.6 3.6 67 67 A Y H > S+ 0 0 36 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.929 111.5 50.1 -68.4 -43.7 63.2 43.6 6.8 68 68 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.901 112.8 47.5 -60.9 -40.6 61.5 40.4 6.0 69 69 A Q H X S+ 0 0 71 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.925 112.4 48.3 -67.5 -43.6 64.8 38.7 5.3 70 70 A R H X S+ 0 0 96 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.894 112.5 49.7 -63.9 -38.5 66.4 40.1 8.5 71 71 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.942 110.3 49.6 -64.5 -46.8 63.3 38.9 10.5 72 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.870 106.3 57.6 -60.1 -37.4 63.5 35.5 9.0 73 73 A Q H X S+ 0 0 65 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.929 108.1 45.2 -60.9 -45.3 67.2 35.3 9.9 74 74 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.863 110.6 53.3 -67.8 -34.5 66.5 35.9 13.6 75 75 A V H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.4 0.932 110.7 48.8 -63.8 -42.5 63.7 33.4 13.6 76 76 A K H ><5S+ 0 0 73 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.938 108.7 52.5 -61.1 -47.2 66.1 30.9 12.1 77 77 A N H 3<5S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.6 50.7 -57.1 -37.6 68.8 31.7 14.7 78 78 A A T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.462 113.1-118.4 -81.4 -2.3 66.3 31.1 17.5 79 79 A G T < 5S+ 0 0 39 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.1 0.783 72.2 127.1 70.3 27.0 65.3 27.7 16.1 80 80 A M < - 0 0 7 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.440 54.8-124.2-106.3-179.6 61.7 28.8 15.6 81 81 A K E -c 45 0A 66 -37,-0.7 -35,-1.9 -2,-0.1 2,-0.3 -0.847 21.8-150.4-121.8 160.0 59.3 28.8 12.7 82 82 A M E -cd 46 160A 0 77,-3.3 79,-2.4 -2,-0.3 80,-0.8 -0.942 12.2-153.0-134.6 158.0 57.4 31.8 11.3 83 83 A I E -c 47 0A 0 -37,-2.5 -35,-2.1 -2,-0.3 80,-0.2 -0.896 21.6-152.3-129.1 97.1 54.1 32.5 9.5 84 84 A P E -c 48 0A 0 0, 0.0 80,-3.1 0, 0.0 2,-0.5 -0.478 1.9-153.2 -74.8 143.4 54.3 35.6 7.3 85 85 A I E -ce 49 164A 6 -37,-2.7 -35,-2.4 78,-0.2 2,-1.7 -0.975 12.5-142.7-110.9 121.7 51.1 37.5 6.6 86 86 A I E -ce 50 165A 0 78,-2.7 2,-1.4 -2,-0.5 80,-0.7 -0.692 24.6-157.8 -87.5 87.9 51.4 39.3 3.3 87 87 A S E +c 51 0A 0 -2,-1.7 -35,-2.6 -37,-1.4 -34,-0.4 -0.531 28.2 167.1 -76.8 89.4 49.6 42.4 4.6 88 88 A T + 0 0 0 -2,-1.4 42,-0.5 -37,-0.2 2,-0.3 0.058 58.1 83.6 -87.5 24.6 48.1 44.2 1.6 89 89 A H S S- 0 0 9 40,-0.1 -36,-0.3 13,-0.1 -37,-0.3 -0.819 88.9 -89.7-123.3 165.7 46.0 46.3 4.0 90 90 A Q - 0 0 50 38,-2.3 2,-0.5 -2,-0.3 80,-0.4 -0.516 29.0-138.9 -78.5 139.0 46.7 49.4 6.1 91 91 A a B S+K 101 0B 0 10,-1.9 10,-2.2 -2,-0.2 2,-0.1 -0.871 71.6 46.2 -96.2 126.8 48.1 49.1 9.6 92 92 A G S S+ 0 0 9 -2,-0.5 78,-0.1 8,-0.2 3,-0.1 -0.046 80.3 61.5 116.6 139.8 46.3 51.6 11.9 93 93 A G S S+ 0 0 75 1,-0.4 87,-0.3 4,-0.2 2,-0.2 0.155 83.6 96.5 100.3 -20.3 42.7 52.6 12.5 94 94 A N S > S- 0 0 22 1,-0.1 3,-2.6 85,-0.1 -1,-0.4 -0.693 90.9 -70.3-104.2 158.8 41.6 49.2 13.6 95 95 A V T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.150 119.7 7.4 -48.3 125.7 41.2 47.9 17.2 96 96 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.285 89.9 148.2 85.1 -10.9 44.5 47.4 18.9 97 97 A D < + 0 0 46 -3,-2.6 -1,-0.3 1,-0.1 -4,-0.2 -0.376 19.6 171.7 -64.0 128.4 46.5 49.0 16.1 98 98 A D + 0 0 104 -2,-0.2 2,-0.3 -3,-0.1 -78,-0.1 -0.678 54.3 70.3-135.0 73.0 49.6 50.9 17.2 99 99 A a - 0 0 28 -2,-0.2 -6,-0.2 -80,-0.1 2,-0.1 -0.953 64.7-137.1-170.6 177.2 51.2 51.6 13.9 100 100 A N + 0 0 136 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.616 42.0 140.3-154.8 83.6 50.8 53.8 10.8 101 101 A V B -K 91 0B 22 -10,-2.2 -10,-1.9 -2,-0.1 -48,-0.3 -0.731 24.1-175.5-133.2 86.4 51.4 51.9 7.6 102 102 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.264 38.3 -93.0 -73.0 166.8 49.1 52.7 4.7 103 103 A I - 0 0 3 24,-0.3 -50,-0.1 1,-0.2 -15,-0.1 -0.409 69.5 -57.9 -76.0 161.6 49.3 50.7 1.4 104 104 A P > - 0 0 4 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.099 45.6-142.3 -41.9 121.0 51.6 52.2 -1.3 105 105 A S G > S+ 0 0 92 1,-0.3 3,-0.8 -48,-0.2 4,-0.2 0.808 96.8 62.9 -58.2 -32.1 50.3 55.7 -2.2 106 106 A W G > S+ 0 0 36 -49,-0.3 3,-1.6 1,-0.2 -1,-0.3 0.750 85.4 73.4 -67.5 -25.2 51.1 55.2 -5.9 107 107 A V G X S+ 0 0 0 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.861 87.5 63.2 -58.5 -34.6 48.6 52.4 -6.2 108 108 A W G X S+ 0 0 46 -3,-0.8 3,-0.6 -4,-0.5 -1,-0.3 0.676 94.0 62.7 -65.0 -17.0 45.7 54.8 -6.1 109 109 A N G < S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.436 76.9 86.1 -90.0 1.8 46.8 56.5 -9.3 110 110 A Q G < S+ 0 0 67 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.486 93.8 44.4 -79.4 -1.1 46.4 53.4 -11.5 111 111 A K < - 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0 0 43 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.479 61.7-134.3-110.1-177.8 8.8 45.7 -8.7 224 224 A K + 0 0 176 -2,-0.2 2,-0.1 -3,-0.1 -9,-0.1 -0.323 33.0 175.5-134.4 49.0 7.9 48.5 -11.2 225 225 A L - 0 0 36 -11,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.348 23.9-149.6 -60.6 134.9 11.4 50.0 -12.0 226 226 A I S S- 0 0 153 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.767 70.3 -7.6 -78.4 -28.7 11.1 52.6 -14.7 227 227 A S S > S- 0 0 35 -13,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.975 74.6 -92.2-160.2 170.8 14.6 52.0 -16.1 228 228 A E G > S+ 0 0 89 -2,-0.3 3,-1.6 1,-0.3 -20,-0.1 0.794 117.8 65.5 -59.6 -30.6 17.9 50.2 -15.7 229 229 A L G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.0 -25,-0.0 0.657 88.8 68.4 -67.7 -14.7 19.3 53.2 -13.8 230 230 A A G < S+ 0 0 44 -3,-1.8 2,-0.9 2,-0.0 -1,-0.3 0.572 73.4 99.4 -80.1 -11.1 16.8 52.5 -11.1 231 231 A I < + 0 0 0 -3,-1.6 -27,-0.2 -4,-0.2 -24,-0.0 -0.711 57.5 141.9 -78.9 109.4 18.7 49.2 -10.2 232 232 A L - 0 0 65 -2,-0.9 3,-0.1 -29,-0.1 -37,-0.1 -0.927 54.8 -91.8-146.2 166.7 20.7 50.4 -7.2 233 233 A P S S- 0 0 5 0, 0.0 -1,-0.0 0, 0.0 -33,-0.0 -0.224 75.7 -55.7 -71.3 172.9 22.0 49.2 -3.8 234 234 A P - 0 0 6 0, 0.0 3,-0.2 0, 0.0 -42,-0.1 -0.263 41.9-157.4 -55.7 128.4 19.8 50.0 -0.8 235 235 A S S S+ 0 0 118 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.831 90.4 34.8 -73.9 -33.1 19.0 53.7 -0.4 236 236 A D > - 0 0 85 1,-0.1 4,-2.0 2,-0.0 -1,-0.3 -0.916 69.4-168.4-126.2 102.7 18.3 53.2 3.3 237 237 A G H > S+ 0 0 1 -2,-0.5 4,-2.3 -3,-0.2 5,-0.2 0.866 87.1 52.7 -57.8 -40.5 20.6 50.6 4.9 238 238 A E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.907 109.4 47.2 -64.8 -44.3 18.6 50.5 8.1 239 239 A Q H >>S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-1.7 0.884 111.3 53.8 -65.3 -35.7 15.2 49.8 6.4 240 240 A F H <>S+ 0 0 3 -4,-2.0 5,-2.2 1,-0.2 -2,-0.2 0.930 110.4 45.4 -63.0 -45.0 17.0 47.2 4.3 241 241 A L H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.734 110.6 56.1 -71.2 -22.5 18.3 45.4 7.5 242 242 A M H <5S- 0 0 78 -4,-1.5 -2,-0.2 58,-0.2 -1,-0.2 0.889 140.9 -36.6 -76.8 -43.4 14.8 45.7 9.1 243 243 A N T ><5S+ 0 0 83 -4,-2.1 3,-1.4 -5,-0.1 4,-0.3 0.453 115.1 89.8-157.9 -13.3 12.8 44.0 6.4 244 244 A G G > S- 0 0 51 -3,-1.3 4,-2.1 -4,-0.3 5,-0.2 -0.271 92.9-107.7 -79.4 168.4 12.4 40.3 -0.4 248 248 A M H > S+ 0 0 80 -27,-0.2 4,-2.0 1,-0.2 5,-0.2 0.868 122.7 53.3 -62.8 -36.7 13.7 38.8 -3.7 249 249 A Y H > S+ 0 0 41 -28,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.922 107.6 51.0 -62.6 -44.9 15.6 42.0 -4.3 250 250 A G H > S+ 0 0 0 -6,-0.6 4,-2.4 1,-0.2 5,-0.2 0.884 108.7 50.6 -61.1 -41.5 17.3 41.7 -0.9 251 251 A K H X S+ 0 0 104 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.903 112.8 46.4 -64.6 -40.6 18.4 38.1 -1.5 252 252 A D H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.916 112.0 50.3 -68.3 -43.6 19.9 39.1 -4.9 253 253 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.937 113.7 44.4 -60.1 -47.5 21.6 42.1 -3.5 254 254 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.812 110.6 55.8 -68.0 -29.3 23.2 40.2 -0.6 255 255 A E H X S+ 0 0 102 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.930 113.4 40.4 -67.1 -45.3 24.1 37.4 -3.0 256 256 A W H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.930 114.8 52.7 -66.4 -46.7 26.1 39.8 -5.1 257 257 A Y H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 3,-0.3 0.923 117.7 35.6 -57.2 -50.7 27.5 41.7 -2.2 258 258 A Q H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.814 109.8 67.8 -73.1 -29.7 28.9 38.6 -0.5 259 259 A G H X S+ 0 0 10 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.827 91.2 60.6 -58.4 -33.9 29.7 37.1 -3.9 260 260 A I H X S+ 0 0 17 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.911 106.1 46.8 -61.4 -41.2 32.3 39.8 -4.4 261 261 A L H X S+ 0 0 1 -4,-0.7 4,-2.1 -3,-0.5 -1,-0.2 0.863 110.8 52.3 -69.1 -35.2 34.2 38.5 -1.4 262 262 A E H X S+ 0 0 16 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.916 110.7 46.8 -67.6 -41.8 33.9 34.9 -2.5 263 263 A N H X S+ 0 0 101 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.845 110.9 53.4 -67.4 -32.7 35.3 35.7 -6.0 264 264 A H H X S+ 0 0 6 -4,-1.7 4,-2.6 -5,-0.2 5,-0.4 0.892 104.9 54.8 -67.6 -39.5 38.1 37.6 -4.3 265 265 A T H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.917 109.8 46.4 -60.3 -43.4 38.9 34.5 -2.2 266 266 A K H X S+ 0 0 90 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.878 112.5 51.3 -68.3 -35.7 39.3 32.4 -5.3 267 267 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.974 114.3 39.1 -66.5 -55.7 41.4 35.1 -7.0 268 268 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.818 113.8 57.0 -66.1 -28.7 44.0 35.6 -4.3 269 269 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.4 -1,-0.2 0.907 108.9 46.2 -67.0 -39.9 44.0 31.9 -3.5 270 270 A E H X S+ 0 0 93 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 113.3 48.1 -67.0 -46.8 44.9 31.2 -7.1 271 271 A L H X S+ 0 0 20 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.922 113.6 48.1 -59.7 -44.9 47.6 33.8 -7.2 272 272 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.917 112.1 47.4 -64.0 -46.2 49.1 32.6 -3.9 273 273 A H H X S+ 0 0 21 -4,-2.3 4,-1.9 1,-0.2 5,-0.4 0.905 111.3 51.1 -63.6 -40.8 49.2 28.9 -4.9 274 274 A N H < S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.5 40.9 -65.8 -29.4 50.8 29.7 -8.2 275 275 A A H < S+ 0 0 11 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.780 129.2 22.1 -90.3 -28.1 53.4 31.8 -6.5 276 276 A F H X>S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.1 5,-1.3 0.701 96.0 84.4-113.6 -26.4 54.2 29.6 -3.4 277 277 A D T <5S+ 0 0 55 -4,-1.9 4,-0.3 -5,-0.4 -3,-0.1 0.887 100.1 36.2 -48.3 -52.4 53.2 26.0 -4.0 278 278 A T T 45S+ 0 0 119 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.903 124.3 42.2 -71.5 -39.5 56.3 24.8 -5.7 279 279 A T T 45S+ 0 0 32 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.957 133.8 11.1 -72.1 -54.0 58.7 26.9 -3.7 280 280 A F T <5S- 0 0 6 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.1 0.814 72.2-157.4 -98.6 -36.4 57.4 26.5 -0.2 281 281 A Q < + 0 0 147 -5,-1.3 -4,-0.1 -4,-0.3 -3,-0.1 0.929 46.9 134.2 56.2 47.2 54.8 23.7 -0.2 282 282 A V - 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