==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-03 1V3I . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR Y.N.KANG,M.ADACHI,S.UTSUMI,B.MIKAMI . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.7 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 1 1 0 1 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 6 A N > 0 0 130 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 144.2 -7.1 63.8 13.8 2 7 A M G > + 0 0 43 1,-0.3 3,-2.5 2,-0.2 4,-0.2 0.732 360.0 78.0 -58.5 -27.1 -8.6 60.7 15.5 3 8 A L G > S+ 0 0 33 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.739 78.5 72.1 -56.7 -24.5 -6.4 58.3 13.5 4 9 A L G < S+ 0 0 60 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.636 94.4 55.0 -66.8 -12.0 -3.5 59.2 15.7 5 10 A N G < S+ 0 0 1 -3,-2.5 -1,-0.3 398,-0.2 2,-0.2 0.394 81.3 125.3 -99.0 -0.5 -5.3 57.1 18.4 6 11 A Y < - 0 0 7 -3,-1.8 431,-0.2 431,-0.2 430,-0.1 -0.413 39.9-169.7 -66.0 124.6 -5.4 54.0 16.1 7 12 A V - 0 0 1 429,-2.0 403,-0.1 -2,-0.2 402,-0.1 -0.975 23.8-125.0-116.4 119.3 -3.9 50.8 17.5 8 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.4 -0.281 17.9-147.4 -66.6 149.5 -3.5 48.0 15.0 9 14 A V E -a 411 0A 0 32,-0.2 34,-1.5 401,-0.2 35,-1.2 -0.960 13.8-174.7-119.9 132.7 -5.0 44.5 15.6 10 15 A Y E -ab 412 44A 9 401,-2.4 403,-3.5 -2,-0.4 2,-0.4 -0.879 12.9-144.6-123.5 155.4 -3.5 41.3 14.4 11 16 A V E -ab 413 45A 0 33,-1.6 35,-2.0 -2,-0.3 2,-0.2 -0.977 18.2-123.4-123.8 134.7 -4.9 37.7 14.6 12 17 A M E - b 0 46A 10 401,-3.0 404,-3.0 -2,-0.4 403,-0.3 -0.559 25.4-130.4 -76.1 138.9 -2.9 34.6 15.2 13 18 A L - 0 0 3 33,-2.7 35,-0.1 -2,-0.2 3,-0.1 -0.395 39.9 -79.1 -81.3 163.9 -3.2 31.9 12.6 14 19 A P > - 0 0 39 0, 0.0 3,-1.1 0, 0.0 2,-0.2 -0.232 48.7-105.9 -61.5 152.4 -4.0 28.3 13.6 15 20 A L T 3 S+ 0 0 19 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.596 108.0 25.5 -74.7 141.8 -1.0 26.2 14.9 16 21 A G T 3 + 0 0 12 -2,-0.2 -1,-0.2 2,-0.2 9,-0.2 0.714 67.4 142.6 79.0 17.0 -0.1 23.8 12.2 17 22 A V S < S+ 0 0 19 -3,-1.1 2,-0.5 1,-0.2 8,-0.5 0.823 85.7 41.1 -58.3 -26.9 -1.4 25.8 9.2 18 23 A V B S-J 24 0B 1 6,-0.2 -1,-0.2 7,-0.1 6,-0.2 -0.989 104.2-134.4-118.1 115.0 1.8 24.3 7.8 19 24 A N > - 0 0 24 4,-2.4 3,-2.6 -2,-0.5 4,-0.4 -0.086 25.0 -95.5 -71.5 171.5 2.0 20.6 9.0 20 25 A V T 3 S+ 0 0 61 1,-0.3 -1,-0.1 2,-0.2 -4,-0.0 0.647 124.4 60.7 -59.4 -16.9 5.0 18.7 10.4 21 26 A D T 3 S- 0 0 127 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.334 121.2-108.7 -92.5 7.6 5.7 17.4 6.9 22 27 A N S < S+ 0 0 21 -3,-2.6 2,-0.4 1,-0.2 44,-0.3 0.934 73.5 139.0 65.5 49.8 6.1 21.0 5.7 23 28 A V - 0 0 73 -4,-0.4 -4,-2.4 43,-0.1 2,-1.8 -0.991 58.8-132.2-128.9 130.4 2.9 21.1 3.7 24 29 A F B -J 18 0B 25 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.631 34.6-168.7 -80.5 86.2 0.4 24.0 3.5 25 30 A E + 0 0 127 -2,-1.8 -1,-0.2 -8,-0.5 -7,-0.1 0.866 63.3 17.2 -43.8 -66.6 -2.6 21.7 4.1 26 31 A D > + 0 0 95 -9,-0.4 4,-2.1 1,-0.2 -1,-0.2 -0.705 59.3 160.4-122.7 82.1 -5.7 23.7 3.4 27 32 A P H > S+ 0 0 46 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.917 80.5 49.8 -63.6 -45.2 -5.1 26.9 1.4 28 33 A D H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.865 111.2 49.4 -64.0 -37.5 -8.7 27.3 0.2 29 34 A G H > S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 113.1 45.5 -67.9 -45.2 -10.0 26.9 3.8 30 35 A L H X S+ 0 0 7 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.930 106.8 61.1 -63.1 -45.6 -7.6 29.5 5.2 31 36 A K H X S+ 0 0 98 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.917 104.0 47.7 -47.8 -53.7 -8.3 31.9 2.3 32 37 A E H X S+ 0 0 143 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.888 113.6 47.9 -58.8 -39.8 -12.0 32.1 3.2 33 38 A Q H X S+ 0 0 40 -4,-1.5 4,-1.9 1,-0.2 3,-0.4 0.943 111.2 51.0 -65.1 -46.0 -11.2 32.7 6.8 34 39 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.880 106.7 53.6 -58.4 -40.1 -8.6 35.4 5.9 35 40 A L H X S+ 0 0 85 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.831 105.5 55.4 -64.8 -31.0 -11.1 37.2 3.7 36 41 A Q H X S+ 0 0 88 -4,-1.3 4,-1.3 -3,-0.4 -1,-0.2 0.928 109.1 46.9 -64.2 -46.0 -13.4 37.3 6.7 37 42 A L H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.3 0.910 109.9 52.6 -62.2 -45.5 -10.7 39.0 8.7 38 43 A R H ><5S+ 0 0 47 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.930 109.5 48.9 -57.5 -47.4 -9.9 41.5 5.9 39 44 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.9 59.3 -64.5 -27.3 -13.6 42.5 5.7 40 45 A A T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.449 119.2-109.6 -80.6 -2.0 -13.6 42.9 9.5 41 46 A G T < 5 + 0 0 10 -3,-1.7 -32,-0.2 -4,-0.3 402,-0.2 0.609 59.2 162.1 84.9 12.1 -10.9 45.5 9.3 42 47 A V < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 -32,-0.1 -0.460 33.0-146.7 -67.2 134.8 -8.1 43.4 10.9 43 48 A D - 0 0 5 -34,-1.5 37,-1.6 -2,-0.2 2,-0.3 0.881 61.4 -38.0 -72.8 -40.0 -4.7 44.8 10.1 44 49 A G E -bc 10 80A 0 -35,-1.2 -33,-1.6 35,-0.3 2,-0.3 -0.925 53.2-108.8-166.1-171.6 -2.7 41.6 9.9 45 50 A V E -bc 11 81A 0 35,-2.1 37,-2.4 -35,-0.3 2,-0.4 -0.896 18.3-135.0-133.5 162.7 -2.0 38.1 11.1 46 51 A M E -bc 12 82A 2 -35,-2.0 -33,-2.7 -2,-0.3 2,-0.3 -0.956 22.7-176.4-121.2 139.7 0.7 36.4 13.1 47 52 A V E - c 0 83A 4 35,-2.3 37,-2.7 -2,-0.4 2,-0.4 -0.984 26.7-122.1-139.3 149.5 2.3 33.0 12.3 48 53 A D E - c 0 84A 20 -2,-0.3 2,-0.9 35,-0.2 37,-0.1 -0.737 14.8-157.9 -85.4 129.3 4.8 30.6 13.7 49 54 A V E - c 0 85A 1 35,-2.4 37,-1.4 -2,-0.4 2,-0.3 -0.850 27.5-143.1-107.7 89.7 7.7 29.8 11.4 50 55 A W E >> - c 0 86A 6 -2,-0.9 4,-2.1 1,-0.1 3,-1.2 -0.398 18.2-158.4 -64.8 117.4 8.6 26.5 13.0 51 56 A W H 3> S+ 0 0 0 35,-2.9 4,-2.1 -2,-0.3 -1,-0.1 0.883 93.8 60.4 -58.5 -39.8 12.3 25.6 13.2 52 57 A G H 34 S+ 0 0 4 34,-0.4 52,-0.3 36,-0.3 -1,-0.3 0.696 110.0 40.4 -64.1 -20.4 11.4 21.9 13.6 53 58 A I H X4 S+ 0 0 3 -3,-1.2 3,-0.7 47,-0.1 4,-0.2 0.855 118.1 43.8 -93.7 -42.9 9.6 21.9 10.2 54 59 A I H 3< S+ 0 0 2 -4,-2.1 9,-0.9 1,-0.2 3,-0.2 0.899 121.9 32.5 -72.4 -45.6 12.0 24.0 8.1 55 60 A E T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 7,-0.2 -0.189 85.1 122.0-106.3 41.6 15.4 22.6 9.1 56 61 A L < + 0 0 71 -3,-0.7 49,-0.6 1,-0.2 -1,-0.2 0.923 62.9 55.0 -69.4 -49.3 14.2 19.1 9.7 57 62 A K S S- 0 0 175 4,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.837 120.3 -59.8 -58.0 -38.6 16.4 17.0 7.3 58 63 A G S > S- 0 0 6 3,-0.3 3,-2.2 46,-0.0 -1,-0.2 -0.978 81.2 -25.3 172.9-179.2 19.7 18.2 8.7 59 64 A P T 3 S- 0 0 55 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.300 128.1 -6.6 -55.7 124.1 22.0 21.2 9.4 60 65 A K T 3 S+ 0 0 125 1,-0.2 2,-1.1 -5,-0.1 -5,-0.0 0.676 92.8 135.1 61.9 22.1 21.2 24.0 6.9 61 66 A Q < + 0 0 103 -3,-2.2 -4,-0.5 -6,-0.1 -3,-0.3 -0.577 34.1 173.2 -97.2 68.1 18.7 21.8 5.0 62 67 A Y - 0 0 51 -2,-1.1 2,-0.4 -7,-0.2 -7,-0.2 -0.554 23.3-171.7 -83.8 142.8 16.0 24.5 4.8 63 68 A D + 0 0 41 -9,-0.9 4,-0.2 -2,-0.2 3,-0.2 -0.936 12.4 167.2-131.5 104.5 12.8 24.1 2.8 64 69 A W > + 0 0 11 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 0.394 45.5 104.8 -99.0 1.9 10.9 27.3 2.7 65 70 A R H > S+ 0 0 181 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.889 78.3 46.5 -51.6 -53.7 8.4 26.4 -0.0 66 71 A A H > S+ 0 0 10 -44,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.920 113.8 49.5 -58.7 -44.3 5.3 25.8 2.0 67 72 A Y H > S+ 0 0 3 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.805 105.7 57.4 -66.4 -26.9 5.8 29.0 4.0 68 73 A R H X S+ 0 0 78 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.907 106.7 49.2 -68.9 -38.0 6.3 30.9 0.7 69 74 A S H X S+ 0 0 67 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.887 111.4 49.6 -65.6 -39.5 2.8 29.7 -0.4 70 75 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.945 111.1 47.4 -64.6 -50.9 1.3 30.8 2.9 71 76 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.870 109.0 56.0 -59.2 -37.0 2.9 34.3 2.7 72 77 A Q H X S+ 0 0 72 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.934 108.9 46.7 -60.7 -45.9 1.7 34.7 -0.9 73 78 A L H X S+ 0 0 15 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.918 110.6 51.2 -63.1 -44.8 -1.9 34.0 0.2 74 79 A V H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.3 0.942 110.9 49.6 -58.2 -46.2 -1.7 36.4 3.1 75 80 A Q H ><5S+ 0 0 70 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.913 108.4 52.9 -58.1 -44.7 -0.4 39.1 0.8 76 81 A E H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.7 56.4 -61.4 -30.9 -3.2 38.3 -1.7 77 82 A C T 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.329 116.9-112.1 -85.1 8.1 -5.8 38.8 1.1 78 83 A G T < 5S+ 0 0 38 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.841 72.5 129.8 67.2 36.6 -4.5 42.3 1.9 79 84 A L < - 0 0 6 -5,-1.6 -35,-0.3 -35,-0.0 -1,-0.2 -0.894 50.8-134.6-122.3 150.9 -3.1 41.5 5.3 80 85 A T E -c 44 0A 32 -37,-1.6 -35,-2.1 -2,-0.3 2,-0.4 -0.456 27.0-130.2 -92.6 174.7 0.3 42.3 6.9 81 86 A L E -cd 45 169A 1 87,-2.3 89,-2.4 -37,-0.2 90,-1.0 -0.984 16.6-157.4-139.8 139.8 2.2 39.7 8.8 82 87 A Q E -cd 46 171A 6 -37,-2.4 -35,-2.3 -2,-0.4 2,-0.5 -0.957 27.1-155.7-106.9 115.3 4.0 39.2 12.1 83 88 A A E -cd 47 172A 1 88,-2.2 90,-2.9 -2,-0.6 2,-0.5 -0.849 2.0-153.5-100.7 124.8 6.5 36.4 11.7 84 89 A I E -cd 48 173A 4 -37,-2.7 -35,-2.4 -2,-0.5 2,-1.5 -0.832 12.4-142.6 -97.3 125.9 7.7 34.4 14.7 85 90 A M E -cd 49 174A 0 88,-3.0 90,-1.5 -2,-0.5 2,-1.2 -0.729 28.1-161.0 -83.6 93.0 11.1 32.7 14.5 86 91 A S E +c 50 0A 0 -2,-1.5 -35,-2.9 -37,-1.4 -34,-0.4 -0.648 28.3 163.0 -86.9 92.6 9.8 29.7 16.4 87 92 A F + 0 0 0 -2,-1.2 43,-0.3 -37,-0.2 2,-0.2 0.038 55.8 82.1 -93.4 24.5 12.8 27.8 17.8 88 93 A H S S- 0 0 9 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.759 82.2 -98.3-125.5 172.2 10.6 25.9 20.3 89 94 A Q - 0 0 41 39,-1.8 2,-0.5 -2,-0.2 90,-0.4 -0.664 23.8-142.9 -92.4 144.2 8.4 22.9 20.3 90 95 A C B S+K 100 0C 1 10,-2.4 10,-2.7 -2,-0.3 -40,-0.0 -0.916 72.4 59.0-104.3 130.3 4.6 23.0 20.0 91 96 A G S S+ 0 0 20 -2,-0.5 -1,-0.1 8,-0.2 4,-0.1 -0.040 81.4 65.6 151.5 -46.6 2.8 20.5 22.1 92 97 A G S S+ 0 0 15 -3,-0.2 98,-0.6 2,-0.1 97,-0.5 0.464 87.1 78.1 -90.4 1.6 3.3 20.6 25.9 93 98 A N S > S- 0 0 20 96,-0.1 3,-2.2 1,-0.1 -2,-0.1 -0.674 94.6 -70.5-110.1 164.7 1.7 24.0 26.6 94 99 A V T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.202 118.4 12.4 -52.9 130.8 -1.8 25.2 27.0 95 100 A G T 3 S+ 0 0 55 1,-0.2 2,-1.6 -4,-0.1 -1,-0.3 0.254 83.6 138.3 87.2 -12.9 -3.7 25.3 23.7 96 101 A D < + 0 0 35 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.0 -0.485 17.6 166.0 -70.6 89.3 -1.1 23.3 21.8 97 102 A I + 0 0 154 -2,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.369 60.0 52.6 -86.5 3.7 -3.4 21.0 19.8 98 103 A V S S- 0 0 45 2,-0.0 2,-0.6 -3,-0.0 -82,-0.1 -0.979 79.0-125.9-137.6 150.5 -0.6 19.9 17.4 99 104 A N + 0 0 112 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.873 32.1 163.0-104.1 116.8 2.8 18.4 18.0 100 105 A I B -K 90 0C 2 -10,-2.7 -10,-2.4 -2,-0.6 -48,-0.2 -0.865 17.5-166.8-131.6 96.4 5.8 20.1 16.4 101 106 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.253 31.3 -95.8 -76.7 169.3 9.2 19.1 17.9 102 107 A I S S- 0 0 3 25,-0.4 5,-0.1 1,-0.2 -50,-0.1 -0.300 74.8 -49.7 -74.2 171.5 12.4 20.9 17.3 103 108 A P >> - 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.131 48.6-133.6 -48.0 131.5 14.6 19.4 14.5 104 109 A Q H 3> S+ 0 0 99 -52,-0.3 4,-2.3 1,-0.3 5,-0.2 0.842 104.9 60.1 -55.4 -38.4 15.1 15.6 14.8 105 110 A W H 3> S+ 0 0 17 -49,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.807 105.6 48.5 -64.1 -26.4 18.8 15.9 14.1 106 111 A V H <> S+ 0 0 0 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.909 109.7 51.9 -76.9 -41.2 19.1 18.2 17.2 107 112 A L H X S+ 0 0 26 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.843 103.9 58.5 -61.7 -34.4 17.1 15.6 19.3 108 113 A D H >X S+ 0 0 90 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.924 105.3 48.6 -61.8 -43.4 19.5 12.9 18.1 109 114 A I H >X S+ 0 0 23 -4,-1.2 4,-1.6 1,-0.3 3,-1.0 0.879 105.7 59.9 -62.4 -35.9 22.4 14.9 19.6 110 115 A G H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 93.8 65.2 -65.4 -19.7 20.3 15.2 22.8 111 116 A E H << S+ 0 0 113 -3,-1.1 3,-0.3 -4,-0.8 -1,-0.3 0.822 111.9 33.3 -72.3 -31.1 20.2 11.4 23.0 112 117 A S H << S+ 0 0 106 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.641 130.7 35.5 -97.2 -18.3 24.0 11.3 23.6 113 118 A N >< + 0 0 31 -4,-1.6 3,-1.3 -5,-0.1 -1,-0.2 -0.694 62.8 176.5-137.7 81.8 24.1 14.6 25.5 114 119 A H G > + 0 0 89 1,-0.3 3,-1.2 -3,-0.3 -4,-0.1 0.619 69.2 81.1 -60.1 -14.4 20.9 15.1 27.6 115 120 A D G 3 + 0 0 34 1,-0.2 92,-0.4 90,-0.1 -1,-0.3 0.360 67.2 81.2 -79.9 8.9 22.3 18.3 29.0 116 121 A I G < S+ 0 0 0 -3,-1.3 15,-1.9 -6,-0.1 2,-0.3 0.489 85.7 75.8 -88.0 -2.2 21.3 20.4 26.0 117 122 A F E < S-L 130 0D 1 -3,-1.2 13,-0.2 13,-0.2 10,-0.2 -0.820 97.6 -95.7-110.0 148.2 17.8 20.5 27.6 118 123 A Y E -L 126 0D 1 11,-0.8 8,-2.9 8,-0.7 2,-0.4 -0.381 48.9-161.4 -58.0 134.7 16.5 22.6 30.5 119 124 A T E -L 125 0D 3 83,-0.4 85,-2.2 6,-0.2 86,-0.3 -0.978 9.5-147.1-128.8 135.9 16.7 20.3 33.5 120 125 A N > - 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0 0 0 -15,-1.9 3,-1.9 -2,-0.4 4,-0.1 -0.155 18.4-120.8 -56.3 148.5 19.0 25.5 27.4 132 137 A V G > S+ 0 0 9 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.728 107.1 81.4 -61.4 -19.2 20.7 28.9 27.5 133 138 A G G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.780 94.4 41.6 -58.1 -28.4 23.6 26.8 28.8 134 139 A V G X S+ 0 0 0 -3,-1.9 3,-1.5 -18,-0.2 11,-1.4 0.253 76.7 113.9-105.8 14.1 24.5 25.8 25.3 135 140 A D T < S+ 0 0 7 -3,-1.7 11,-2.2 1,-0.3 12,-0.3 0.872 95.2 23.1 -49.1 -43.1 24.0 29.1 23.5 136 141 A N T 3 S+ 0 0 97 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.051 94.2 113.4-116.7 26.4 27.8 29.3 22.8 137 142 A E < - 0 0 75 -3,-1.5 2,-1.9 1,-0.1 3,-0.3 -0.884 60.2-144.7 -99.0 119.4 28.7 25.6 23.0 138 143 A P + 0 0 79 0, 0.0 4,-0.4 0, 0.0 6,-0.2 -0.302 63.2 118.6 -80.4 56.6 29.8 24.4 19.5 139 144 A I + 0 0 51 -2,-1.9 2,-1.0 -5,-0.2 5,-0.2 0.362 42.8 89.0-104.4 3.4 28.4 21.0 20.0 140 145 A F B > S-M 143 0E 0 3,-2.3 3,-2.0 -3,-0.3 -1,-0.1 -0.674 125.0 -58.6-103.9 78.1 25.8 20.9 17.2 141 146 A H T 3 S- 0 0 132 -2,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.890 115.0 -39.0 51.7 43.3 27.9 19.5 14.3 142 147 A G T 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.135 121.8 99.0 98.0 -22.2 30.3 22.4 14.7 143 148 A R B < -M 140 0E 24 -3,-2.0 -3,-2.3 -6,-0.0 -1,-0.3 -0.685 64.6-132.2-102.0 156.0 27.7 25.2 15.4 144 149 A T > - 0 0 14 -2,-0.3 4,-1.6 -6,-0.2 -8,-0.2 -0.487 35.3-104.0 -91.5 170.2 26.6 26.7 18.7 145 150 A A H > S+ 0 0 0 -11,-1.4 4,-2.2 -8,-0.3 -10,-0.2 0.908 122.1 52.7 -63.8 -40.1 22.9 27.1 19.4 146 151 A I H > S+ 0 0 9 -11,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.858 106.7 52.0 -64.4 -35.1 23.1 30.9 18.7 147 152 A E H > S+ 0 0 87 -12,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.855 107.4 53.7 -69.2 -33.9 24.7 30.3 15.3 148 153 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.946 112.0 43.7 -63.7 -47.5 21.9 27.9 14.5 149 154 A Y H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.916 115.3 49.8 -62.8 -42.7 19.4 30.6 15.3 150 155 A S H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.926 110.3 48.3 -63.2 -47.2 21.4 33.2 13.4 151 156 A D H X S+ 0 0 37 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.870 110.2 54.4 -61.0 -37.4 21.8 31.0 10.3 152 157 A Y H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.911 109.3 45.5 -63.8 -45.8 18.1 30.3 10.3 153 158 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.855 112.2 51.6 -68.6 -35.3 17.0 34.0 10.4 154 159 A K H X S+ 0 0 90 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 109.8 49.0 -66.4 -45.3 19.5 34.9 7.6 155 160 A S H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.886 111.3 51.2 -61.0 -38.0 18.2 32.1 5.4 156 161 A F H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 110.1 49.2 -63.1 -48.9 14.7 33.4 6.1 157 162 A R H < S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.932 115.5 42.7 -56.7 -49.4 15.7 37.0 5.2 158 163 A E H >< S+ 0 0 134 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.898 117.4 45.1 -67.3 -40.8 17.3 35.9 1.9 159 164 A N H 3< S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.724 119.8 39.7 -77.6 -21.4 14.6 33.5 0.8 160 165 A M T >X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 3,-0.6 0.071 79.1 123.6-110.6 20.3 11.7 35.7 1.7 161 166 A S H <> S+ 0 0 46 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.825 70.5 53.8 -51.2 -38.0 13.4 38.9 0.4 162 167 A D H 3> S+ 0 0 70 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.895 109.6 46.8 -68.2 -37.9 10.6 39.7 -2.1 163 168 A F H <4>S+ 0 0 2 -3,-0.6 5,-2.1 2,-0.2 6,-0.5 0.907 112.6 50.4 -69.7 -39.1 8.0 39.6 0.7 164 169 A L H ><5S+ 0 0 6 -4,-2.3 3,-1.2 1,-0.2 120,-0.2 0.923 111.0 48.6 -63.4 -44.6 10.2 41.7 2.9 165 170 A E H 3<5S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.4 55.8 -64.4 -36.8 10.7 44.3 0.2 166 171 A S T 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.491 116.4-114.3 -75.7 -2.7 7.0 44.5 -0.7 167 172 A G T < 5S+ 0 0 34 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.716 74.9 132.8 78.8 22.5 6.3 45.4 2.9 168 173 A L < + 0 0 8 -5,-2.1 -87,-2.3 -6,-0.2 2,-0.6 0.925 57.9 66.7 -70.4 -44.3 4.3 42.3 3.8 169 174 A I E -d 81 0A 1 -6,-0.5 -87,-0.2 -89,-0.2 3,-0.1 -0.703 56.4-179.2 -87.1 117.9 6.1 41.6 7.1 170 175 A I E - 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