==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-08 2VN7 . COMPND 2 MOLECULE: GLUCOAMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR R.BOTT,M.SANDGREN,H.HANSSON . 599 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 0 0 1 1 0 1 0 0 0 0 3 1 0 2 0 2 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 6 1 2 0 1 0 0 1 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 2 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 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 S > 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 156.2 74.5 1.3 -7.5 2 2 A V H > + 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 360.0 54.4 -67.3 -39.7 74.7 3.5 -4.4 3 3 A D H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 106.7 51.0 -59.8 -43.5 77.4 1.2 -3.0 4 4 A D H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.919 110.0 50.1 -56.0 -50.1 79.4 1.7 -6.2 5 5 A F H X S+ 0 0 31 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.942 112.6 46.1 -56.3 -50.3 79.1 5.5 -5.9 6 6 A I H X S+ 0 0 27 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.922 112.1 52.0 -59.7 -46.4 80.2 5.4 -2.3 7 7 A S H < S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.4 35.1 -52.5 -56.1 83.2 3.1 -3.1 8 8 A T H X S+ 0 0 94 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.874 120.1 47.3 -70.9 -41.3 84.5 5.3 -5.9 9 9 A E H X S+ 0 0 5 -4,-3.0 4,-3.3 -5,-0.3 5,-0.2 0.822 95.1 73.8 -74.5 -33.5 83.6 8.8 -4.4 10 10 A T H X S+ 0 0 40 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.914 101.2 38.9 -51.1 -57.4 85.0 8.3 -0.9 11 11 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.822 117.6 51.5 -68.5 -25.7 88.8 8.5 -1.6 12 12 A I H X S+ 0 0 38 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.901 110.5 48.7 -71.5 -41.5 88.2 11.3 -4.2 13 13 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.927 112.6 47.0 -64.0 -45.4 86.1 13.3 -1.6 14 14 A L H X S+ 0 0 22 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.939 114.1 48.3 -62.0 -47.4 88.8 12.9 1.1 15 15 A N H X S+ 0 0 18 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.946 114.3 45.1 -54.5 -52.8 91.6 13.8 -1.3 16 16 A N H < S+ 0 0 8 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.873 110.7 54.1 -66.9 -36.5 89.7 16.9 -2.6 17 17 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 0.962 111.5 45.0 -55.2 -52.7 88.8 17.9 1.0 18 18 A L H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.754 101.0 67.5 -70.3 -22.6 92.4 17.8 2.0 19 19 A a T 3< S+ 0 0 4 -4,-1.9 8,-2.1 1,-0.2 9,-1.0 0.637 97.8 56.6 -64.2 -15.4 93.6 19.7 -1.2 20 20 A N T < S+ 0 0 0 -3,-1.5 17,-2.4 -4,-0.4 2,-0.5 0.340 89.3 91.5-101.1 4.6 91.7 22.7 0.3 21 21 A V B <> S-A 36 0A 0 -3,-1.5 4,-1.6 15,-0.2 3,-0.3 -0.896 76.5 -89.9-107.0 126.1 93.7 22.7 3.5 22 22 A G T 4 S+ 0 0 0 13,-3.0 12,-1.2 -2,-0.5 11,-0.2 -0.208 84.9 19.3 -70.8 165.1 96.8 24.8 3.9 23 23 A P T 4 S+ 0 0 44 0, 0.0 7,-2.9 0, 0.0 8,-0.3 -0.989 132.7 10.9 -90.6 -5.4 99.7 25.1 3.7 24 24 A D T 4 S+ 0 0 59 -3,-0.3 5,-0.2 5,-0.2 -2,-0.2 0.380 80.4 131.2-119.5 -2.9 100.4 22.2 1.3 25 25 A G >< - 0 0 6 -4,-1.6 3,-1.1 3,-0.5 -6,-0.2 -0.299 68.0-114.2 -57.0 144.0 97.0 21.0 0.0 26 26 A a T 3 S+ 0 0 17 1,-0.3 564,-0.4 2,-0.2 563,-0.3 0.711 114.3 29.4 -60.3 -26.5 97.0 20.7 -3.8 27 27 A R T 3 S+ 0 0 76 -8,-2.1 -1,-0.3 1,-0.1 -7,-0.2 0.386 123.5 50.8-112.3 -0.4 94.5 23.5 -4.4 28 28 A A S X S+ 0 0 0 -3,-1.1 3,-1.2 -9,-1.0 -3,-0.5 -0.231 75.8 155.6-125.0 42.3 95.4 25.5 -1.3 29 29 A F T 3 + 0 0 52 561,-0.3 563,-0.5 1,-0.2 -5,-0.2 -0.581 68.2 13.5 -79.0 122.1 99.2 25.6 -1.8 30 30 A G T 3 S+ 0 0 66 -7,-2.9 -1,-0.2 -2,-0.5 -6,-0.1 0.406 92.5 129.4 94.3 -2.6 100.9 28.5 -0.1 31 31 A T S < S- 0 0 8 -3,-1.2 -1,-0.4 -8,-0.3 81,-0.2 -0.438 75.7 -72.7 -74.1 159.0 97.9 29.4 2.1 32 32 A S > - 0 0 28 79,-2.2 3,-1.7 -10,-0.1 -10,-0.2 -0.167 62.1 -93.3 -49.7 143.6 98.5 29.9 5.8 33 33 A A T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -11,-0.2 3,-0.1 -0.428 113.8 19.0 -64.3 134.8 99.2 26.6 7.6 34 34 A G T 3 S+ 0 0 0 -12,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.192 94.6 137.1 87.1 -16.3 95.9 25.2 9.0 35 35 A A < - 0 0 0 -3,-1.7 -13,-3.0 76,-0.1 2,-0.5 -0.253 42.1-153.3 -63.4 146.1 93.8 27.4 6.7 36 36 A V B -A 21 0A 0 -15,-0.2 15,-0.5 -3,-0.1 2,-0.3 -0.981 6.3-149.7-122.8 113.6 90.7 26.0 4.9 37 37 A I - 0 0 0 -17,-2.4 383,-0.2 -2,-0.5 13,-0.2 -0.667 11.2-142.4 -73.8 136.9 89.8 27.6 1.7 38 38 A A S S- 0 0 1 11,-1.7 382,-2.5 9,-0.8 383,-0.4 0.886 83.9 -18.7 -64.2 -36.5 86.0 27.4 1.2 39 39 A S - 0 0 0 8,-0.9 -1,-0.3 10,-0.3 10,-0.2 -0.958 56.4-122.4-162.9 150.2 86.8 26.8 -2.5 40 40 A P S S+ 0 0 27 0, 0.0 2,-0.2 0, 0.0 8,-0.1 0.602 75.9 121.3 -70.0 -9.6 89.8 27.4 -4.9 41 41 A S + 0 0 14 376,-0.6 6,-2.7 1,-0.2 7,-0.6 -0.382 35.8 175.8 -61.8 122.4 87.3 29.5 -7.0 42 42 A T B +B 46 0B 16 1,-0.3 2,-0.3 4,-0.2 4,-0.2 0.541 65.3 28.0-104.7 -16.3 88.8 33.0 -7.3 43 43 A I S S+ 0 0 61 2,-0.6 -1,-0.3 1,-0.1 3,-0.1 -0.986 107.7 33.2-149.4 141.1 86.2 34.6 -9.6 44 44 A D S S+ 0 0 119 -2,-0.3 371,-0.1 -3,-0.1 -1,-0.1 0.918 143.0 17.3 42.9 65.3 82.5 33.9 -10.3 45 45 A P S S- 0 0 11 0, 0.0 2,-0.9 0, 0.0 -2,-0.6 0.609 87.3-153.5 -96.9 168.0 82.4 33.2 -7.5 46 46 A D B +B 42 0B 25 -4,-0.2 -4,-0.2 1,-0.1 -5,-0.1 -0.836 34.7 149.4 -93.2 96.6 85.3 34.4 -5.3 47 47 A Y + 0 0 31 -6,-2.7 2,-2.7 -2,-0.9 -8,-0.9 0.185 24.4 125.7-109.6 12.7 85.4 31.9 -2.4 48 48 A Y + 0 0 4 -7,-0.6 63,-0.4 -10,-0.2 2,-0.3 -0.416 51.7 95.4 -77.2 68.3 89.2 32.1 -1.8 49 49 A Y S S- 0 0 4 -2,-2.7 -11,-1.7 -10,-0.2 2,-0.6 -0.902 77.1-108.3-143.9 169.6 88.8 33.0 1.9 50 50 A M E -C 109 0C 2 59,-2.7 59,-2.3 -2,-0.3 2,-0.4 -0.940 30.0-161.9-107.4 117.1 88.8 31.2 5.2 51 51 A W E > -C 108 0C 11 -2,-0.6 4,-2.2 -15,-0.5 5,-0.3 -0.826 19.0-142.1 -96.0 136.1 85.4 31.0 6.9 52 52 A T H > S+ 0 0 7 55,-2.5 4,-2.2 -2,-0.4 5,-0.2 0.935 104.3 46.1 -57.0 -44.4 85.2 30.2 10.6 53 53 A R H > S+ 0 0 6 54,-0.5 4,-2.6 2,-0.2 5,-0.3 0.972 113.1 45.1 -62.0 -59.1 82.1 28.1 9.9 54 54 A D H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 116.3 46.8 -56.4 -46.2 83.4 26.1 6.9 55 55 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.917 113.1 48.5 -63.6 -44.8 86.8 25.4 8.5 56 56 A A H X S+ 0 0 1 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.857 113.8 46.8 -64.3 -34.8 85.2 24.3 11.8 57 57 A L H X S+ 0 0 14 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.902 114.1 47.4 -73.5 -39.0 82.7 22.0 10.1 58 58 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.937 114.3 46.3 -66.6 -44.9 85.4 20.5 7.9 59 59 A F H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.784 105.0 59.8 -73.9 -25.6 87.8 19.9 10.8 60 60 A K H X S+ 0 0 26 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.930 108.4 46.5 -62.1 -42.6 85.0 18.5 12.9 61 61 A N H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.940 116.5 44.1 -59.8 -46.2 84.7 15.8 10.2 62 62 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 112.1 51.6 -68.4 -42.9 88.5 15.3 10.1 63 63 A I H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.891 110.7 49.9 -58.8 -40.9 88.8 15.3 13.9 64 64 A D H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.877 111.7 47.4 -65.0 -40.5 86.1 12.6 14.0 65 65 A R H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 111.4 51.2 -63.2 -44.3 87.9 10.6 11.3 66 66 A F H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.850 109.0 52.1 -60.8 -39.9 91.2 11.0 13.3 67 67 A T H < S+ 0 0 48 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.889 108.2 49.7 -63.0 -43.8 89.4 9.8 16.4 68 68 A E H < S+ 0 0 94 -4,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.885 133.3 7.6 -63.6 -40.4 88.1 6.7 14.6 69 69 A T S < S- 0 0 67 -4,-2.1 -1,-0.3 -5,-0.1 413,-0.2 -0.926 84.2-117.0-146.4 119.8 91.7 5.9 13.4 70 70 A Y B +e 482 0D 18 411,-2.0 413,-0.9 -2,-0.3 2,-0.4 -0.298 35.1 176.5 -56.7 131.8 94.9 7.8 14.4 71 71 A D > - 0 0 25 411,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.944 22.3-157.9-143.2 111.6 96.5 9.5 11.4 72 72 A A H > S+ 0 0 34 411,-0.4 4,-1.9 -2,-0.4 5,-0.1 0.733 94.9 56.5 -66.3 -25.9 99.6 11.6 12.0 73 73 A G H > S+ 0 0 10 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.928 109.1 45.1 -69.3 -48.8 99.0 13.5 8.8 74 74 A L H > S+ 0 0 8 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.954 111.6 53.8 -55.1 -50.3 95.5 14.5 10.0 75 75 A Q H X S+ 0 0 9 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.902 106.9 51.3 -52.6 -46.2 96.9 15.4 13.4 76 76 A R H X S+ 0 0 78 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.911 113.4 45.3 -56.8 -44.3 99.5 17.7 11.8 77 77 A R H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.926 113.2 49.8 -66.6 -44.0 96.6 19.4 9.9 78 78 A I H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.934 110.9 49.1 -59.2 -47.0 94.5 19.6 13.0 79 79 A E H X S+ 0 0 35 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.901 112.1 49.5 -60.8 -40.4 97.3 21.1 15.1 80 80 A Q H X S+ 0 0 38 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.879 109.6 50.3 -66.0 -41.7 97.9 23.6 12.3 81 81 A Y H X S+ 0 0 2 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.910 112.1 49.2 -60.7 -43.4 94.2 24.5 12.1 82 82 A I H >X S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.6 0.954 110.4 47.8 -64.6 -50.1 94.2 25.0 15.9 83 83 A T H >X S+ 0 0 31 -4,-2.6 4,-1.0 1,-0.3 3,-0.9 0.835 103.7 61.8 -63.4 -33.0 97.3 27.3 16.1 84 84 A A H 3X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.789 95.1 64.2 -59.2 -26.7 96.0 29.5 13.2 85 85 A Q H < S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.906 109.4 53.7 -60.8 -46.5 92.7 34.9 14.0 89 89 A Q H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 107.0 53.6 -55.8 -37.2 91.3 35.3 17.5 90 90 A G H 3< S+ 0 0 5 -4,-1.3 2,-0.3 -5,-0.2 8,-0.3 0.643 87.6 108.9 -74.0 -14.4 93.8 38.1 18.1 91 91 A L << - 0 0 32 -3,-1.2 2,-0.3 -4,-0.6 5,-0.1 -0.464 64.4-140.2 -75.2 125.1 92.9 40.1 15.0 92 92 A S + 0 0 78 -2,-0.3 5,-0.2 5,-0.1 -2,-0.1 -0.656 39.7 164.3 -68.3 135.2 91.0 43.3 15.2 93 93 A N B > -F 96 0E 19 3,-2.4 3,-1.3 -2,-0.3 24,-0.1 -0.854 56.1 -80.4-146.1 174.9 88.6 43.1 12.3 94 94 A P T 3 S+ 0 0 63 0, 0.0 3,-0.1 0, 0.0 23,-0.1 0.683 127.4 59.3 -62.8 -15.7 85.4 44.9 11.2 95 95 A S T 3 S- 0 0 23 1,-0.3 2,-0.3 8,-0.2 9,-0.1 0.772 120.5-102.2 -77.3 -25.7 83.3 42.9 13.7 96 96 A G B < -F 93 0E 21 -3,-1.3 -3,-2.4 7,-0.2 -1,-0.3 -0.966 44.6 -51.0 142.6-153.7 85.6 44.2 16.5 97 97 A S - 0 0 38 -2,-0.3 6,-2.5 -5,-0.2 7,-0.4 -0.632 38.4-114.1-116.1 170.8 88.5 43.2 18.7 98 98 A L S > S+ 0 0 6 -8,-0.3 3,-1.0 -2,-0.2 6,-0.1 0.830 103.3 76.1 -69.2 -32.4 89.3 40.3 21.0 99 99 A A T 3 S+ 0 0 80 1,-0.3 363,-0.5 -9,-0.1 -1,-0.2 0.822 110.6 23.0 -55.9 -44.8 89.3 42.5 24.1 100 100 A D T 3 S- 0 0 80 -3,-0.2 -1,-0.3 361,-0.1 360,-0.2 0.319 110.9-117.1 -99.4 4.2 85.5 42.7 24.4 101 101 A G S X S+ 0 0 0 -3,-1.0 3,-2.0 -4,-0.2 4,-0.3 0.099 84.6 114.2 88.7 -22.0 85.0 39.5 22.4 102 102 A S G > + 0 0 24 1,-0.3 3,-1.4 2,-0.2 -4,-0.2 0.780 65.3 65.5 -56.9 -33.4 83.1 41.1 19.5 103 103 A G G > S+ 0 0 4 -6,-2.5 3,-1.1 1,-0.2 -1,-0.3 0.661 86.9 72.3 -63.3 -15.6 85.9 40.4 16.9 104 104 A L G < S+ 0 0 5 -3,-2.0 -1,-0.2 -7,-0.4 -2,-0.2 0.660 85.2 65.4 -78.4 -17.6 85.3 36.6 17.3 105 105 A G G < + 0 0 0 -3,-1.4 19,-2.9 -4,-0.3 -1,-0.3 0.385 69.8 127.0 -83.4 0.1 82.0 36.8 15.4 106 106 A E < - 0 0 2 -3,-1.1 -54,-0.2 17,-0.2 16,-0.1 -0.439 53.8-148.4 -56.8 124.4 83.8 37.8 12.2 107 107 A P + 0 0 3 0, 0.0 -55,-2.5 0, 0.0 -54,-0.5 0.891 65.5 6.2 -65.4 -43.9 82.6 35.3 9.4 108 108 A K E -C 51 0C 4 -57,-0.2 8,-0.7 -56,-0.1 2,-0.3 -0.956 55.4-160.1-149.0 159.6 85.7 35.1 7.2 109 109 A F E -CD 50 115C 5 -59,-2.3 -59,-2.7 -2,-0.3 2,-0.0 -0.904 35.8 -91.0-135.1 157.9 89.4 36.1 6.8 110 110 A E > - 0 0 9 4,-2.6 3,-1.6 -2,-0.3 4,-0.5 -0.386 40.7-118.3 -60.3 150.9 92.0 36.4 4.1 111 111 A L T 3 S+ 0 0 0 -63,-0.4 -79,-2.2 1,-0.3 -76,-0.1 0.472 115.2 70.2 -78.6 0.1 94.0 33.2 3.7 112 112 A T T 3 S- 0 0 63 -81,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.325 123.3-108.5 -82.2 3.3 97.1 35.2 4.7 113 113 A L S < S+ 0 0 14 -3,-1.6 -2,-0.2 1,-0.3 -82,-0.0 0.920 79.6 129.4 59.0 50.8 95.3 35.2 8.1 114 114 A K - 0 0 114 -4,-0.5 -4,-2.6 -23,-0.0 -1,-0.3 -0.883 66.2 -78.4-126.1 157.2 94.5 38.9 7.9 115 115 A P B -D 109 0C 34 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.322 33.5-132.3 -54.8 130.3 91.2 40.8 8.3 116 116 A F - 0 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1,-0.2 3,-0.1 0.867 78.7 58.2 -63.3 -38.1 53.3 24.3 15.3 231 231 A S T 345S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.753 120.2 28.6 -64.5 -24.4 50.5 25.1 12.8 232 232 A G T <45S- 0 0 37 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.466 101.9-124.9-114.6 -7.3 52.7 23.9 9.9 233 233 A G T <5S+ 0 0 11 -4,-1.4 51,-0.3 1,-0.2 2,-0.3 0.890 72.7 99.2 63.7 42.7 54.9 21.3 11.6 234 234 A Y E > -J 310 0I 2 -2,-0.6 3,-2.1 -14,-0.3 4,-0.5 -0.990 65.3-118.7-158.1 137.9 65.4 26.1 4.9 250 250 A V H 3> S+ 0 0 0 59,-3.0 4,-3.4 -2,-0.3 3,-0.4 0.727 102.5 89.2 -59.5 -20.5 68.0 23.3 4.9 251 251 A N H 3> S+ 0 0 0 58,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.857 88.1 46.6 -27.5 -53.6 69.4 25.3 7.8 252 252 A S H <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.821 111.7 48.8 -74.7 -34.2 67.2 23.2 10.1 253 253 A V H X S+ 0 0 0 -4,-0.5 4,-1.8 -3,-0.4 -2,-0.2 0.907 111.4 50.3 -69.3 -44.6 68.2 19.9 8.5 254 254 A L H X S+ 0 0 1 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.821 109.1 53.8 -57.4 -35.0 71.8 20.8 8.8 255 255 A T H X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.952 105.8 51.9 -65.1 -50.5 71.1 21.7 12.4 256 256 A S H < S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.884 114.6 41.2 -53.6 -47.6 69.6 18.2 13.1 257 257 A I H >< S+ 0 0 7 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.804 113.5 53.2 -74.7 -31.4 72.6 16.3 11.7 258 258 A H H 3< S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.602 114.9 39.0 -83.8 -12.2 75.2 18.6 13.3 259 259 A T T 3< S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.131 86.9 142.6-117.4 16.0 73.9 18.3 16.8 260 260 A F < + 0 0 2 -3,-0.5 181,-0.1 -5,-0.1 -3,-0.1 -0.329 17.2 165.4 -53.3 129.3 73.1 14.6 16.4 261 261 A D > - 0 0 0 4,-0.2 3,-2.7 179,-0.1 4,-0.3 -0.775 25.8-158.7-146.7 106.3 73.7 12.5 19.5 262 262 A P G > S+ 0 0 6 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 0.734 90.6 71.5 -58.5 -19.8 72.2 9.0 19.5 263 263 A N G 3 S+ 0 0 98 1,-0.3 181,-0.2 179,-0.1 3,-0.1 0.574 93.7 56.5 -72.3 -8.0 72.4 9.0 23.3 264 264 A L G X S- 0 0 16 -3,-2.7 3,-1.2 1,-0.3 -1,-0.3 0.406 95.4-160.0 -95.4 -3.1 69.6 11.6 23.3 265 265 A G T < - 0 0 19 -3,-1.6 9,-0.3 -4,-0.3 -1,-0.3 -0.296 61.8 -22.0 61.6-134.7 67.4 9.2 21.3 266 266 A c T 3 S+ 0 0 58 8,-0.2 10,-0.4 7,-0.1 -1,-0.2 -0.112 85.7 164.2-103.3 38.4 64.5 10.9 19.4 267 267 A D < > - 0 0 40 -3,-1.2 5,-2.6 1,-0.1 8,-0.3 -0.364 25.3-164.6 -62.2 124.9 64.6 13.9 21.7 268 268 A A T > 5S+ 0 0 23 3,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.755 79.8 70.6 -84.1 -26.4 62.6 16.8 20.1 269 269 A G T 3 5S+ 0 0 8 1,-0.3 -1,-0.2 178,-0.1 -2,-0.0 0.893 110.7 32.7 -57.7 -41.9 64.0 19.6 22.4 270 270 A T T 3 5S- 0 0 5 -6,-0.1 -1,-0.3 -3,-0.0 -2,-0.2 0.322 115.3-118.9 -96.7 5.1 67.4 19.3 20.7 271 271 A F T < 5 - 0 0 6 -3,-0.8 -3,-0.2 1,-0.1 -12,-0.2 0.896 37.7-164.7 62.3 44.2 65.8 18.4 17.4 272 272 A Q > < - 0 0 0 -5,-2.6 3,-2.4 -8,-0.1 6,-0.4 -0.289 32.2-107.5 -58.2 144.8 67.4 14.9 17.0 273 273 A P T 3 S+ 0 0 1 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 0.816 120.0 42.3 -45.3 -41.9 67.2 13.5 13.5 274 274 A c T 3 S+ 0 0 7 -9,-0.3 -8,-0.2 60,-0.2 -6,-0.1 0.438 88.2 118.0 -88.0 1.1 64.5 10.9 14.5 275 275 A S S <> S- 0 0 0 -3,-2.4 4,-2.2 -8,-0.3 5,-0.2 -0.298 76.2-119.6 -64.4 153.3 62.6 13.3 16.7 276 276 A D H > S+ 0 0 43 -10,-0.4 4,-2.7 1,-0.2 5,-0.2 0.911 114.4 50.1 -62.4 -39.5 59.0 13.9 15.5 277 277 A K H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 110.7 49.3 -63.9 -43.2 59.7 17.7 15.0 278 278 A A H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.887 114.3 45.5 -64.7 -38.7 62.9 17.0 13.0 279 279 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 112.8 48.4 -70.2 -48.9 61.0 14.4 10.8 280 280 A S H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.930 114.3 49.0 -51.0 -49.1 58.0 16.7 10.2 281 281 A N H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.901 106.4 55.5 -58.4 -45.2 60.4 19.5 9.4 282 282 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.936 108.8 47.2 -57.2 -49.1 62.3 17.4 7.0 283 283 A K H X S+ 0 0 38 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.921 113.0 48.2 -57.5 -49.1 59.2 16.5 4.9 284 284 A V H X S+ 0 0 25 -4,-2.1 4,-1.7 -51,-0.3 -2,-0.2 0.952 114.0 47.0 -57.7 -48.6 58.0 20.2 4.8 285 285 A V H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 3,-0.3 0.942 114.3 46.6 -60.3 -49.2 61.5 21.4 3.7 286 286 A V H >X S+ 0 0 0 -4,-3.0 3,-1.9 -5,-0.2 4,-0.8 0.924 108.5 56.3 -55.6 -45.1 61.8 18.7 1.1 287 287 A D H >X S+ 0 0 54 -4,-2.9 3,-0.7 1,-0.3 4,-0.6 0.819 95.1 66.6 -60.0 -35.0 58.3 19.4 -0.2 288 288 A S H 3< S+ 0 0 22 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.697 108.6 39.0 -60.1 -20.3 59.3 23.1 -0.7 289 289 A F H X> S+ 0 0 0 -3,-1.9 4,-1.0 -4,-0.5 3,-0.6 0.566 94.1 87.1-104.4 -13.8 61.6 21.9 -3.5 290 290 A R H << S+ 0 0 38 -4,-0.8 9,-0.2 -3,-0.7 -2,-0.1 0.816 97.5 30.3 -58.8 -38.3 59.4 19.1 -5.0 291 291 A S T 3< S+ 0 0 110 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.502 114.2 58.8-102.4 -3.1 57.5 21.2 -7.5 292 292 A I T <4 S+ 0 0 57 -3,-0.6 2,-0.5 -4,-0.1 -2,-0.1 0.654 83.2 76.0-111.8 -19.6 59.9 24.0 -8.4 293 293 A Y >< - 0 0 5 -4,-1.0 3,-1.9 1,-0.1 4,-0.3 -0.860 66.4-140.4-102.2 130.3 63.1 22.4 -9.9 294 294 A G G > S+ 0 0 23 -2,-0.5 3,-1.5 1,-0.3 115,-0.3 0.855 104.1 59.6 -45.1 -43.2 63.3 21.1 -13.5 295 295 A V G 3 S+ 0 0 13 113,-2.8 -1,-0.3 1,-0.3 114,-0.1 0.671 101.8 54.1 -65.0 -18.0 65.4 18.2 -12.2 296 296 A N G X S+ 0 0 2 -3,-1.9 3,-1.8 112,-0.3 -1,-0.3 0.443 79.2 129.3 -95.3 0.2 62.6 17.1 -9.8 297 297 A K T < S+ 0 0 174 -3,-1.5 -6,-0.1 -4,-0.3 -3,-0.0 -0.261 77.0 8.2 -58.1 134.7 60.0 16.9 -12.6 298 298 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.502 91.2 130.4 71.3 3.9 58.1 13.6 -12.7 299 299 A I < - 0 0 41 -3,-1.8 -1,-0.2 -9,-0.2 2,-0.1 -0.793 53.7-133.4 -85.3 128.8 59.6 12.3 -9.4 300 300 A P > - 0 0 86 0, 0.0 3,-1.5 0, 0.0 -1,-0.0 -0.371 24.9 -86.4 -80.4 163.5 56.7 11.2 -7.2 301 301 A A T 3 S+ 0 0 75 1,-0.2 3,-0.1 -2,-0.1 -14,-0.0 -0.309 117.1 37.8 -53.5 145.4 56.0 11.9 -3.5 302 302 A G T 3 S+ 0 0 26 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.441 98.9 98.4 81.1 -0.7 57.9 9.3 -1.3 303 303 A A S < S- 0 0 31 -3,-1.5 -1,-0.3 84,-0.0 81,-0.1 -0.947 83.1-101.5-116.5 143.0 60.8 9.4 -3.7 304 304 A A - 0 0 10 -2,-0.4 2,-0.3 79,-0.1 81,-0.1 -0.205 39.6-167.8 -58.0 147.4 63.9 11.5 -3.0 305 305 A V - 0 0 0 20,-0.1 2,-0.3 -6,-0.0 87,-0.1 -0.891 30.8 -91.9-133.4 163.6 64.5 14.8 -4.8 306 306 A A - 0 0 0 -2,-0.3 2,-0.3 -17,-0.1 -13,-0.1 -0.603 48.4-163.5 -70.0 134.0 67.2 17.3 -5.3 307 307 A I - 0 0 0 14,-0.3 14,-2.0 -2,-0.3 18,-0.4 -0.950 11.2-166.9-128.9 149.8 67.1 19.9 -2.6 308 308 A G B -K 320 0J 0 -2,-0.3 -58,-0.2 12,-0.3 3,-0.1 -0.121 43.5 -82.0-108.9-154.9 68.5 23.4 -2.3 309 309 A R S S- 0 0 8 10,-0.5 -59,-3.0 1,-0.4 -58,-0.3 0.954 100.5 -20.9 -80.6 -55.7 68.9 25.9 0.6 310 310 A Y B > -J 249 0I 8 -61,-0.2 3,-1.7 -60,-0.1 -1,-0.4 -0.977 60.4-115.3-156.2 151.2 65.5 27.5 0.6 311 311 A A T 3 S+ 0 0 33 -63,-0.6 -62,-0.1 -2,-0.3 -1,-0.0 0.774 112.4 57.4 -66.1 -27.3 62.7 27.8 -2.0 312 312 A E T 3 S+ 0 0 67 -3,-0.0 -1,-0.3 2,-0.0 6,-0.0 0.463 79.3 132.4 -80.3 -2.5 62.9 31.6 -2.3 313 313 A D < + 0 0 6 -3,-1.7 -5,-0.0 1,-0.1 0, 0.0 -0.198 27.3 171.3 -56.8 131.8 66.7 31.4 -3.2 314 314 A V > + 0 0 118 4,-0.0 3,-2.9 5,-0.0 2,-0.2 0.379 35.6 126.1-117.2 -3.8 67.8 33.5 -6.2 315 315 A Y G > S- 0 0 71 1,-0.3 3,-2.2 2,-0.3 4,-0.4 -0.424 99.3 -7.6 -60.9 120.8 71.6 32.9 -5.8 316 316 A Y G 3 S- 0 0 58 1,-0.3 -1,-0.3 -2,-0.2 -3,-0.0 0.735 137.3 -57.7 54.5 25.7 72.8 31.6 -9.2 317 317 A N G < S- 0 0 131 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.3 0.293 95.9 -70.3 84.1 0.7 69.0 31.6 -9.8 318 318 A G S < S+ 0 0 0 -3,-2.2 -2,-0.1 -4,-0.1 90,-0.1 0.801 72.8 174.5 83.1 101.2 68.3 29.2 -6.8 319 319 A N - 0 0 1 -4,-0.4 -10,-0.5 88,-0.1 88,-0.1 -0.869 37.2 -83.3-131.6 163.7 69.5 25.7 -7.3 320 320 A P B -K 308 0J 0 0, 0.0 86,-2.1 0, 0.0 2,-0.4 -0.378 42.9-147.0 -56.4 147.8 69.9 22.4 -5.5 321 321 A W B > -L 405 0K 8 -14,-2.0 4,-2.1 84,-0.2 -14,-0.3 -0.963 13.5-134.4-116.5 142.0 73.1 22.1 -3.5 322 322 A Y H > S+ 0 0 0 82,-1.0 4,-2.8 -2,-0.4 5,-0.2 0.926 107.6 51.5 -56.4 -45.9 75.1 18.9 -3.0 323 323 A L H > S+ 0 0 0 81,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.816 109.6 50.0 -65.2 -32.6 75.4 19.5 0.8 324 324 A A H > S+ 0 0 0 -17,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 113.3 45.1 -67.5 -45.3 71.7 20.1 1.2 325 325 A T H X S+ 0 0 0 -4,-2.1 4,-1.6 -18,-0.4 -2,-0.2 0.904 115.2 48.0 -69.0 -40.5 70.8 16.9 -0.7 326 326 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.847 106.0 59.8 -64.0 -37.8 73.4 15.0 1.3 327 327 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.878 102.8 51.0 -59.6 -38.8 72.0 16.5 4.5 328 328 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.934 111.5 47.3 -65.8 -48.5 68.6 15.0 3.9 329 329 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.923 112.4 51.4 -53.4 -48.8 70.2 11.6 3.4 330 330 A E H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.890 105.6 52.8 -61.5 -44.3 72.3 12.1 6.5 331 331 A Q H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.918 111.7 47.7 -57.4 -43.1 69.3 13.0 8.7 332 332 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.892 110.0 51.2 -65.1 -41.0 67.5 9.8 7.6 333 333 A Y H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 109.7 51.7 -62.6 -36.1 70.6 7.6 8.3 334 334 A D H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.856 111.0 47.0 -65.9 -38.5 70.9 9.2 11.7 335 335 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.910 110.9 51.8 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