==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULASE DEGRADATION 06-JUL-98 1FCE . COMPND 2 MOLECULE: CELLULASE CELF; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR G.PARSIEGLA,M.JUY,R.HASER . 629 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 . 25 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 0 0 0 1 2 0 0 0 2 0 2 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 12 9 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 0 129 0, 0.0 2,-0.2 0, 0.0 248,-0.2 0.000 360.0 360.0 360.0 145.5 108.7 74.1 42.3 2 2 A S - 0 0 26 1,-0.1 3,-0.1 67,-0.1 243,-0.0 -0.606 360.0 -96.5 -84.0 144.7 106.0 76.3 41.0 3 3 A S - 0 0 64 -2,-0.2 -1,-0.1 1,-0.1 245,-0.0 -0.140 53.1 -86.9 -54.8 152.7 106.4 77.8 37.5 4 4 A P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.336 45.3-145.6 -65.5 146.9 107.9 81.3 37.4 5 5 A A - 0 0 22 -3,-0.1 2,-0.4 622,-0.1 620,-0.2 -0.833 27.0 -90.9-116.5 155.7 105.5 84.2 37.6 6 6 A N > - 0 0 20 618,-2.4 4,-1.9 -2,-0.3 5,-0.2 -0.469 36.0-149.3 -62.1 115.0 105.4 87.7 36.1 7 7 A K H > S+ 0 0 137 -2,-0.4 4,-2.3 621,-0.3 5,-0.2 0.823 89.4 59.0 -60.1 -37.0 107.2 89.9 38.7 8 8 A V H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.962 114.3 35.7 -58.8 -51.8 105.2 93.1 38.0 9 9 A Y H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.773 113.4 57.7 -75.5 -26.6 101.8 91.5 38.8 10 10 A Q H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.915 106.7 50.3 -67.7 -41.5 103.2 89.3 41.6 11 11 A D H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.842 108.2 53.1 -62.5 -37.6 104.5 92.5 43.3 12 12 A R H X S+ 0 0 29 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.913 109.2 48.1 -65.6 -40.9 101.0 94.0 42.9 13 13 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.966 113.3 48.4 -61.4 -50.7 99.4 91.0 44.6 14 14 A E H X S+ 0 0 69 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.858 111.1 49.8 -57.3 -39.7 102.0 91.2 47.4 15 15 A S H X S+ 0 0 39 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.921 113.8 45.5 -65.3 -45.6 101.4 95.0 47.8 16 16 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.906 109.7 55.0 -65.2 -40.4 97.6 94.4 48.0 17 17 A Y H X S+ 0 0 28 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.914 108.2 49.8 -60.1 -41.6 98.1 91.5 50.4 18 18 A S H X S+ 0 0 76 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.873 110.5 48.7 -63.7 -42.6 100.1 93.8 52.8 19 19 A K H < S+ 0 0 46 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.886 112.5 48.7 -66.5 -38.3 97.4 96.5 52.7 20 20 A I H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.892 117.6 40.2 -69.6 -37.5 94.6 94.0 53.4 21 21 A K H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.580 85.5 117.7 -87.7 -11.9 96.5 92.4 56.3 22 22 A D >X - 0 0 64 -4,-1.2 3,-1.9 -5,-0.2 4,-0.6 -0.430 60.5-145.8 -61.7 117.9 97.9 95.7 57.7 23 23 A P G >4 S+ 0 0 122 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.764 97.8 60.9 -53.3 -34.0 96.4 96.1 61.3 24 24 A A G 34 S+ 0 0 85 1,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.732 96.6 59.5 -69.1 -23.7 96.3 99.9 60.7 25 25 A N G <4 S- 0 0 16 -3,-1.9 -1,-0.2 -6,-0.2 -3,-0.1 0.678 96.7-140.1 -80.9 -17.8 93.9 99.5 57.8 26 26 A G << + 0 0 29 -3,-0.6 9,-0.1 -4,-0.6 -2,-0.1 0.776 54.2 137.8 67.3 32.9 91.2 97.8 59.9 27 27 A Y + 0 0 2 -5,-0.4 8,-2.6 -7,-0.3 2,-0.3 0.725 66.6 51.9 -77.6 -22.6 89.9 95.1 57.5 28 28 A F B S-A 34 0A 40 6,-0.2 2,-0.1 -8,-0.1 -2,-0.0 -0.839 79.6-122.7-117.6 156.7 89.8 92.5 60.3 29 29 A S > - 0 0 9 4,-2.6 3,-1.9 -2,-0.3 -2,-0.1 -0.304 41.5 -97.2 -83.8 173.0 88.3 92.4 63.8 30 30 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 126.8 58.0 -65.5 -19.4 90.4 91.7 66.9 31 31 A Q T 3 S- 0 0 55 2,-0.1 -1,-0.3 127,-0.0 -3,-0.0 0.423 123.4-105.5 -89.1 2.2 89.3 88.0 66.6 32 32 A G S < S+ 0 0 17 -3,-1.9 -2,-0.1 1,-0.3 51,-0.1 0.657 74.6 138.8 84.1 19.1 90.8 87.8 63.1 33 33 A I - 0 0 0 50,-0.1 -4,-2.6 125,-0.0 -1,-0.3 -0.802 52.1-124.9 -98.9 130.3 87.5 87.9 61.2 34 34 A P B -A 28 0A 0 0, 0.0 -6,-0.2 0, 0.0 19,-0.2 -0.521 22.0-135.0 -75.7 141.1 87.3 90.0 58.1 35 35 A Y - 0 0 20 -8,-2.6 575,-0.3 -2,-0.2 17,-0.2 -0.434 21.7-114.4 -84.8 165.4 84.5 92.7 57.9 36 36 A H S S- 0 0 5 15,-1.7 574,-1.9 13,-1.0 575,-0.4 0.891 98.7 -8.9 -65.1 -37.4 82.3 93.2 54.9 37 37 A S B -B 609 0B 0 12,-1.6 -1,-0.3 572,-0.3 572,-0.2 -0.989 61.0-121.3-157.6 153.8 83.9 96.6 54.6 38 38 A I S S+ 0 0 25 570,-1.7 2,-0.2 -2,-0.3 -1,-0.1 0.948 98.5 75.1 -59.9 -47.2 86.3 98.9 56.6 39 39 A E - 0 0 26 569,-0.1 -2,-0.1 1,-0.1 -3,-0.0 -0.423 69.7-156.6 -69.3 136.0 83.5 101.6 56.5 40 40 A T S S+ 0 0 24 -2,-0.2 9,-2.7 9,-0.1 2,-1.7 0.844 75.5 80.7 -83.7 -37.7 80.6 101.0 58.9 41 41 A L + 0 0 0 7,-0.2 2,-0.4 8,-0.1 -1,-0.1 -0.547 69.8 135.8 -71.8 93.1 77.8 103.0 57.2 42 42 A M + 0 0 0 -2,-1.7 2,-0.4 5,-0.2 8,-0.1 -0.940 27.1 167.2-153.5 116.7 77.0 100.3 54.7 43 43 A V + 0 0 4 -2,-0.4 4,-0.2 1,-0.1 503,-0.1 -0.986 36.2 102.0-132.7 121.0 73.8 98.9 53.4 44 44 A E S S- 0 0 65 2,-2.2 144,-0.2 -2,-0.4 3,-0.2 0.349 102.7 -16.4-160.3 -40.9 73.6 96.6 50.3 45 45 A A S S+ 0 0 44 1,-1.3 2,-0.2 143,-0.1 -2,-0.0 0.182 141.3 37.5-139.7 -67.5 73.2 92.9 51.2 46 46 A P S S- 0 0 1 0, 0.0 -2,-2.2 0, 0.0 -1,-1.3 -0.569 85.2-138.3 -81.4 165.1 74.3 92.9 54.8 47 47 A D S S+ 0 0 1 -4,-0.2 2,-0.3 -2,-0.2 -5,-0.2 0.223 79.9 48.4-109.5 15.2 73.0 96.2 56.5 48 48 A Y S > S- 0 0 25 -7,-0.1 3,-1.3 1,-0.1 -12,-0.2 -0.968 75.6-131.9-150.8 137.5 76.0 97.1 58.6 49 49 A G T 3 S+ 0 0 0 -9,-2.7 -12,-1.6 -2,-0.3 -13,-1.0 0.815 102.8 54.7 -62.2 -34.4 79.6 97.4 57.5 50 50 A H T 3 S+ 0 0 33 -10,-0.3 109,-0.6 -15,-0.2 108,-0.5 0.042 82.2 96.1 -91.8 21.4 81.0 95.4 60.4 51 51 A V < - 0 0 0 -3,-1.3 -15,-1.7 106,-0.2 2,-0.3 -0.724 67.8-144.2 -94.3 157.0 78.9 92.3 60.0 52 52 A T E -C 156 0C 0 104,-2.7 104,-2.6 -2,-0.3 2,-0.3 -0.800 8.5-149.9-117.4 166.9 80.8 89.6 58.0 53 53 A T E > -C 155 0C 5 -2,-0.3 4,-1.8 102,-0.2 102,-0.2 -0.886 31.1-114.3-130.6 163.3 79.5 87.0 55.5 54 54 A S H > S+ 0 0 2 100,-1.7 4,-2.1 -2,-0.3 5,-0.2 0.789 119.2 63.5 -66.1 -23.7 80.5 83.5 54.5 55 55 A E H > S+ 0 0 38 99,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.930 101.9 47.4 -62.3 -46.6 81.2 85.2 51.2 56 56 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 110.4 52.9 -61.7 -45.0 83.9 87.4 52.8 57 57 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 107.7 50.7 -59.4 -40.8 85.4 84.2 54.5 58 58 A S H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.820 111.1 48.2 -69.2 -29.8 85.6 82.4 51.2 59 59 A Y H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.824 107.3 56.4 -76.4 -30.5 87.4 85.4 49.7 60 60 A Y H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 108.2 48.5 -65.2 -40.3 89.7 85.4 52.7 61 61 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.888 110.7 49.7 -64.8 -42.8 90.6 81.8 51.9 62 62 A W H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.916 110.5 50.8 -63.3 -45.4 91.2 82.6 48.2 63 63 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.941 112.3 45.7 -58.6 -50.7 93.5 85.5 49.2 64 64 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 13,-0.3 0.820 109.1 55.4 -64.5 -33.7 95.6 83.4 51.6 65 65 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.952 109.9 46.4 -62.5 -47.8 95.8 80.5 49.1 66 66 A M H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.845 110.4 53.5 -63.5 -35.8 97.3 83.0 46.5 67 67 A H H X S+ 0 0 28 -4,-1.9 4,-2.4 1,-0.2 6,-0.4 0.879 105.8 53.6 -67.5 -36.0 99.6 84.3 49.2 68 68 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.881 103.2 58.7 -63.8 -36.0 100.8 80.8 49.9 69 69 A R H < S+ 0 0 17 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.0 31.8 -60.9 -39.2 101.6 80.4 46.2 70 70 A F H < S+ 0 0 25 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.768 128.3 34.8 -92.7 -29.0 104.1 83.4 46.2 71 71 A S H < S- 0 0 56 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.621 93.2-130.2-100.7 -15.5 105.5 83.2 49.7 72 72 A G S < S+ 0 0 9 -4,-2.0 2,-0.6 -5,-0.3 -4,-0.2 0.447 72.6 119.3 78.0 -0.0 105.6 79.5 50.2 73 73 A D + 0 0 70 -6,-0.4 3,-0.2 1,-0.1 -1,-0.2 -0.880 32.1 169.7-104.3 114.5 103.8 80.1 53.6 74 74 A F > + 0 0 11 -2,-0.6 4,-2.1 1,-0.2 3,-0.2 0.266 52.5 99.3-105.6 10.0 100.4 78.4 53.9 75 75 A T H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 81.7 56.6 -65.2 -30.7 99.9 79.0 57.6 76 76 A G H > S+ 0 0 12 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 106.3 49.4 -67.1 -37.0 97.7 82.0 56.7 77 77 A F H > S+ 0 0 0 -13,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.917 110.2 49.3 -67.5 -45.4 95.5 79.8 54.6 78 78 A D H X S+ 0 0 45 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.852 109.3 55.5 -61.8 -31.6 95.1 77.2 57.4 79 79 A K H X S+ 0 0 108 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.865 100.7 56.0 -68.3 -40.2 94.3 80.1 59.7 80 80 A S H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.876 109.1 48.8 -62.5 -32.4 91.4 81.3 57.5 81 81 A W H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.871 109.4 51.3 -73.5 -36.8 90.0 77.7 57.9 82 82 A S H X S+ 0 0 58 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.0 47.3 -64.9 -43.5 90.3 77.8 61.7 83 83 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.906 112.4 51.2 -64.4 -40.3 88.6 81.1 62.0 84 84 A T H X>S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.2 5,-1.3 0.968 112.6 44.2 -61.0 -53.9 85.8 79.9 59.7 85 85 A E H <5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.0 46.7 -61.4 -36.6 85.2 76.7 61.7 86 86 A Q H <5S+ 0 0 115 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 129.9 16.6 -75.5 -36.1 85.3 78.5 65.0 87 87 A Y H <5S+ 0 0 37 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.646 128.3 36.1-114.1 -22.5 83.0 81.4 64.1 88 88 A L T <5S+ 0 0 0 -4,-3.1 65,-2.9 -5,-0.4 -3,-0.2 0.631 101.9 68.1-108.4 -21.8 80.9 80.7 61.0 89 89 A I S > - 0 0 33 -5,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.129 32.9 -85.5 -78.7-179.9 79.5 74.5 66.9 92 92 A E T 34 S+ 0 0 145 1,-0.3 5,-0.3 2,-0.2 -1,-0.1 0.815 132.9 50.2 -56.1 -33.2 78.2 71.7 69.1 93 93 A K T 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.770 111.1 49.3 -76.5 -27.4 76.8 74.4 71.5 94 94 A D T <4 S+ 0 0 13 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.706 124.5 25.0 -84.9 -27.9 75.2 76.3 68.6 95 95 A Q S < S- 0 0 2 -4,-1.8 -1,-0.2 208,-0.0 5,-0.1 -0.549 90.1-144.9-137.1 71.3 73.4 73.4 67.0 96 96 A P >> - 0 0 23 0, 0.0 4,-2.4 0, 0.0 3,-1.3 -0.042 5.8-144.6 -40.8 120.1 72.9 70.8 69.9 97 97 A N H 3> S+ 0 0 64 -5,-0.3 4,-2.8 1,-0.3 5,-0.2 0.759 98.7 70.8 -61.9 -23.2 73.2 67.3 68.5 98 98 A T H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.872 110.2 32.9 -59.8 -36.2 70.5 66.4 71.1 99 99 A S H X4 S+ 0 0 2 -3,-1.3 3,-1.3 2,-0.1 -2,-0.2 0.890 118.5 51.6 -84.8 -43.6 68.1 68.3 68.8 100 100 A M H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.805 103.0 59.9 -63.9 -32.0 69.8 67.5 65.5 101 101 A S T 3< S+ 0 0 62 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.631 94.6 65.3 -72.8 -11.7 69.7 63.8 66.2 102 102 A R T < S+ 0 0 157 -3,-1.3 209,-0.4 -5,-0.2 -1,-0.3 0.381 75.3 130.2 -88.8 4.1 65.9 63.9 66.5 103 103 A Y < - 0 0 22 -3,-1.4 2,-0.6 207,-0.2 209,-0.1 -0.294 51.3-145.7 -58.0 140.2 65.7 64.9 62.8 104 104 A D > - 0 0 86 207,-0.4 3,-2.0 3,-0.4 -1,-0.1 -0.900 8.2-164.4-115.8 105.6 63.3 62.8 60.8 105 105 A A T 3 S+ 0 0 27 -2,-0.6 29,-2.8 1,-0.3 -1,-0.1 0.648 90.8 57.4 -62.1 -17.3 64.4 62.2 57.2 106 106 A N T 3 S+ 0 0 91 1,-0.3 -1,-0.3 27,-0.2 25,-0.2 0.557 120.6 26.6 -90.3 -10.2 60.9 61.1 56.3 107 107 A K S < S+ 0 0 77 -3,-2.0 -3,-0.4 1,-0.1 -1,-0.3 -0.552 73.3 172.4-148.0 71.5 59.4 64.5 57.4 108 108 A P - 0 0 1 0, 0.0 205,-1.3 0, 0.0 2,-0.3 0.800 64.0 -20.9 -53.7 -36.7 62.3 67.0 57.0 109 109 A A - 0 0 10 203,-0.2 2,-0.5 166,-0.1 203,-0.0 -0.930 68.0 -93.4-162.1 179.3 60.2 70.0 57.7 110 110 A T - 0 0 45 -2,-0.3 17,-0.1 -3,-0.0 21,-0.0 -0.945 45.8-111.8-111.9 127.7 56.7 71.5 57.8 111 111 A Y + 0 0 21 -2,-0.5 15,-2.6 15,-0.5 18,-0.1 -0.220 37.2 173.3 -57.5 142.6 55.4 73.4 54.8 112 112 A A - 0 0 7 13,-0.2 13,-0.2 15,-0.1 2,-0.1 -0.970 28.9-118.7-149.4 133.6 54.9 77.1 55.0 113 113 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 268,-0.2 -0.378 17.7-134.1 -75.4 157.4 54.0 79.4 52.0 114 114 A E - 0 0 28 266,-1.1 2,-0.3 265,-0.2 68,-0.1 -0.863 20.8-150.3-106.1 145.5 56.1 82.3 50.7 115 115 A F - 0 0 35 -2,-0.4 70,-0.4 1,-0.0 69,-0.3 -0.897 20.1-133.6-121.6 151.0 54.4 85.6 49.9 116 116 A Q S S+ 0 0 55 -2,-0.3 67,-0.1 67,-0.1 3,-0.0 0.269 93.7 49.2 -82.6 8.5 55.2 88.4 47.4 117 117 A D S > S- 0 0 75 1,-0.1 3,-2.1 67,-0.0 4,-0.2 -0.955 75.5-136.0-149.7 131.1 54.8 91.1 50.1 118 118 A P G > S+ 0 0 7 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.732 100.1 72.4 -56.4 -24.6 56.2 91.3 53.6 119 119 A S G 3 S+ 0 0 54 1,-0.3 -3,-0.0 -3,-0.0 438,-0.0 0.639 86.4 65.5 -68.9 -12.1 52.9 92.4 54.9 120 120 A K G < S+ 0 0 131 -3,-2.1 -1,-0.3 62,-0.1 -4,-0.0 0.504 88.2 133.5 -86.1 -5.9 51.5 88.9 54.5 121 121 A Y < + 0 0 13 -3,-1.6 2,-0.2 -4,-0.2 91,-0.1 -0.667 28.6 71.0 -91.1 155.2 53.9 87.5 57.1 122 122 A P S S- 0 0 25 0, 0.0 91,-0.3 0, 0.0 90,-0.2 0.301 79.1-145.7 -62.8 143.7 53.9 85.6 59.5 123 123 A S E -e 213 0D 3 89,-2.8 91,-2.2 -2,-0.2 2,-0.4 -0.718 15.2-120.6 -86.5 132.5 53.5 82.7 57.1 124 124 A P E -e 214 0D 57 0, 0.0 2,-0.2 0, 0.0 91,-0.2 -0.599 17.0-130.3 -82.2 131.1 51.3 79.9 58.6 125 125 A L - 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0 0 6 4,-2.6 3,-2.3 -2,-0.3 -402,-0.1 -0.407 47.6 -95.1 -78.4 164.6 65.8 95.5 70.1 566 566 A P T 3 S+ 0 0 39 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.809 125.9 54.9 -54.3 -30.9 68.6 94.8 72.7 567 567 A N T 3 S- 0 0 67 -405,-0.3 -404,-0.1 2,-0.1 14,-0.0 0.358 125.8 -98.3 -84.4 4.2 69.5 98.5 72.8 568 568 A G < + 0 0 39 -3,-2.3 -1,-0.0 1,-0.3 12,-0.0 0.265 70.0 152.2 100.5 -12.7 65.9 99.4 73.7 569 569 A D - 0 0 24 -5,-0.1 -4,-2.6 1,-0.1 2,-0.3 -0.311 46.5-123.1 -54.5 129.3 64.7 100.5 70.2 570 570 A V E -L 564 0H 61 -6,-0.2 2,-0.6 9,-0.2 -6,-0.2 -0.614 17.6-152.9 -82.0 129.1 60.9 99.9 70.1 571 571 A I E +L 563 0H 0 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.3 -0.931 40.7 124.5-103.6 116.9 59.7 97.6 67.3 572 572 A K > - 0 0 102 -2,-0.6 3,-1.9 -10,-0.2 -17,-0.2 -0.967 67.0 -60.6-164.3 160.9 56.1 98.4 66.3 573 573 A S T 3 S+ 0 0 62 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.138 118.4 33.3 -48.4 133.7 54.0 99.3 63.2 574 574 A G T 3 S+ 0 0 40 -19,-0.5 -1,-0.2 1,-0.3 -18,-0.1 0.236 80.8 136.5 102.8 -15.0 55.2 102.5 61.7 575 575 A V < - 0 0 10 -3,-1.9 -20,-2.6 -20,-0.3 -1,-0.3 -0.283 42.6-143.5 -66.3 153.4 59.0 102.2 62.4 576 576 A K B >> -B 554 0T 72 -22,-0.3 4,-0.8 -26,-0.0 3,-0.5 -0.618 34.7 -90.5-106.8 173.7 61.4 103.2 59.7 577 577 A F G >4 S+ 0 0 0 -24,-1.7 3,-0.9 -28,-0.5 -26,-0.2 0.913 127.7 47.3 -51.1 -47.5 64.7 101.5 59.0 578 578 A I G >4 S+ 0 0 10 -28,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.779 97.8 70.7 -68.5 -28.8 66.6 103.8 61.3 579 579 A D G <4 S+ 0 0 69 -3,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.749 103.8 40.7 -62.8 -27.7 64.1 103.5 64.2 580 580 A I G << S+ 0 0 2 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.260 119.6 45.9-103.8 11.4 65.2 99.9 64.9 581 581 A R X + 0 0 5 -3,-1.5 3,-1.9 -4,-0.1 4,-0.2 -0.312 64.0 154.1-143.8 53.3 68.9 100.6 64.4 582 582 A S G > + 0 0 35 -3,-0.3 3,-1.5 1,-0.3 4,-0.2 0.663 62.0 75.8 -63.3 -15.4 69.4 103.9 66.3 583 583 A K G > S+ 0 0 84 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.735 78.7 76.2 -67.5 -19.7 73.1 103.2 67.0 584 584 A Y G X S+ 0 0 1 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.750 80.0 69.4 -62.1 -24.6 73.7 104.2 63.3 585 585 A K G < S+ 0 0 101 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 93.4 58.2 -69.0 -14.6 73.3 107.8 64.3 586 586 A Q G < S+ 0 0 154 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.421 79.1 118.3 -91.4 -2.7 76.6 107.5 66.1 587 587 A D S X S- 0 0 17 -3,-1.5 3,-1.3 -4,-0.2 4,-0.5 -0.400 73.2-126.6 -65.5 142.9 78.4 106.5 62.9 588 588 A P T 3 S+ 0 0 116 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.770 111.1 47.1 -60.8 -26.1 81.2 109.0 61.9 589 589 A E T 3> S+ 0 0 53 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.475 86.0 92.8 -93.9 -6.5 79.6 109.3 58.5 590 590 A W H <> S+ 0 0 16 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.903 85.3 46.5 -54.2 -52.6 76.0 109.7 59.7 591 591 A Q H > S+ 0 0 137 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.875 112.8 51.8 -60.1 -39.1 75.9 113.6 59.7 592 592 A T H > S+ 0 0 98 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.916 112.0 45.8 -64.0 -43.7 77.5 113.7 56.3 593 593 A M H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.949 114.4 46.1 -65.3 -50.1 74.9 111.3 54.8 594 594 A V H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.889 108.9 56.6 -61.5 -39.4 71.9 113.1 56.4 595 595 A A H X S+ 0 0 60 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.912 107.6 48.9 -59.8 -40.9 73.2 116.5 55.3 596 596 A A H <>S+ 0 0 15 -4,-1.7 5,-2.8 1,-0.2 -2,-0.2 0.932 111.1 48.9 -64.6 -45.5 73.3 115.2 51.7 597 597 A L H ><5S+ 0 0 34 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.888 109.1 54.4 -61.4 -37.9 69.8 113.9 51.8 598 598 A Q H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.1 49.7 -64.9 -35.6 68.6 117.2 53.3 599 599 A A T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.360 119.4-111.1 -84.9 6.1 70.1 119.1 50.4 600 600 A G T < 5S+ 0 0 74 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.779 75.2 134.4 70.3 25.1 68.3 116.8 48.0 601 601 A Q < - 0 0 128 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.719 63.1-111.1-104.1 157.8 71.7 115.3 46.9 602 602 A V - 0 0 67 -2,-0.3 -57,-0.1 -3,-0.1 -56,-0.0 -0.770 39.8-119.7 -85.7 125.0 72.6 111.6 46.4 603 603 A P - 0 0 10 0, 0.0 -59,-2.9 0, 0.0 2,-0.3 -0.321 28.9-155.4 -63.5 149.8 75.0 110.6 49.1 604 604 A T E -A 543 0S 73 -61,-0.2 2,-0.3 -60,-0.0 -61,-0.2 -0.918 10.1-172.1-125.2 155.2 78.4 109.4 47.9 605 605 A Q E -A 542 0S 9 -63,-2.4 -63,-2.6 -2,-0.3 2,-0.6 -0.972 25.3-139.5-144.9 156.2 81.0 107.1 49.5 606 606 A R E -A 541 0S 130 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.957 40.8-164.6-116.9 102.4 84.5 105.8 49.0 607 607 A L - 0 0 8 -67,-0.7 2,-0.5 -2,-0.6 -67,-0.3 -0.731 29.7-162.8-104.9 147.1 84.3 102.2 50.0 608 608 A H - 0 0 8 -2,-0.3 -570,-1.7 -69,-0.1 2,-0.4 -0.783 18.7-174.6-120.7 80.3 86.7 99.4 50.8 609 609 A R B > -B 37 0B 20 -2,-0.5 4,-2.1 -572,-0.2 3,-0.4 -0.692 24.4-137.2 -78.5 126.7 84.7 96.1 50.5 610 610 A F H > S+ 0 0 0 -574,-1.9 4,-2.5 -2,-0.4 5,-0.2 0.876 102.7 50.5 -50.9 -47.0 86.8 93.2 51.6 611 611 A W H > S+ 0 0 13 -575,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.868 109.8 50.7 -63.1 -37.2 85.7 91.0 48.7 612 612 A A H > S+ 0 0 6 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.893 110.9 48.1 -67.5 -40.8 86.5 93.7 46.2 613 613 A Q H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 115.4 44.6 -66.0 -44.2 90.0 94.2 47.6 614 614 A S H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.894 110.1 55.9 -65.0 -41.8 90.7 90.4 47.6 615 615 A E H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.9 46.2 -56.3 -44.2 89.2 90.1 44.1 616 616 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.905 114.0 47.5 -67.2 -42.6 91.7 92.7 42.9 617 617 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.4 0.969 114.0 45.9 -63.5 -52.3 94.6 91.1 44.6 618 618 A V H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.895 108.6 57.3 -57.7 -41.4 93.7 87.5 43.4 619 619 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.868 107.0 48.5 -59.0 -38.7 93.2 88.9 39.8 620 620 A N H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -1,-0.2 0.912 111.7 50.4 -67.7 -40.7 96.7 90.2 39.8 621 621 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.920 109.4 49.7 -61.7 -45.2 98.0 86.9 41.1 622 622 A V H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.906 111.6 49.0 -61.7 -42.5 96.1 84.9 38.4 623 623 A Y H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.913 108.6 53.7 -65.1 -41.6 97.5 87.2 35.7 624 624 A A H < S+ 0 0 0 -4,-2.3 -618,-2.4 1,-0.2 -1,-0.2 0.831 113.8 42.5 -60.8 -35.0 101.1 86.8 37.0 625 625 A I H < S+ 0 0 25 -4,-1.7 -2,-0.2 -620,-0.2 -1,-0.2 0.863 117.8 42.4 -81.3 -39.1 100.8 83.0 36.9 626 626 A L H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.688 122.4 37.2 -83.4 -20.5 99.1 82.6 33.5 627 627 A F < + 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.504 67.3 161.8-132.9 66.1 101.1 85.2 31.6 628 628 A P 0 0 44 0, 0.0 -621,-0.3 0, 0.0 -1,-0.1 0.739 360.0 360.0 -53.4 -37.8 104.7 84.9 33.1 629 629 A D 0 0 205 -623,-0.1 -623,-0.1 -3,-0.1 -3,-0.0 -0.761 360.0 360.0 -88.7 360.0 106.4 86.7 30.2