==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-00 1G9J . COMPND 2 MOLECULE: CELLULASE CEL48F; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR G.PARSIEGLA,C.TARDIF,J.P.BELAICH,H.DRIGUEZ,R.HASER . 629 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 64.7 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 . 84 13.4 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 . 1 0.2 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 . 26 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.4 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 . 7 1.1 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 0 0 0 1 2 0 0 0 2 0 2 0 2 3 2 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 . 11 9 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 2 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 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 0 127 0, 0.0 248,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 151.7 108.8 74.4 42.5 2 2 A S - 0 0 26 67,-0.1 3,-0.1 1,-0.1 243,-0.0 -0.485 360.0 -93.1 -81.4 151.6 106.1 76.6 41.0 3 3 A S - 0 0 61 -2,-0.2 -1,-0.1 1,-0.1 245,-0.0 -0.255 52.4 -88.8 -61.7 146.6 106.4 78.1 37.5 4 4 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.251 46.1-149.8 -56.9 142.2 107.9 81.6 37.2 5 5 A A - 0 0 22 -3,-0.1 2,-0.4 623,-0.1 620,-0.2 -0.814 28.8 -85.2-117.2 157.9 105.4 84.4 37.5 6 6 A N > - 0 0 22 618,-2.8 4,-1.8 -2,-0.3 5,-0.2 -0.453 37.0-147.4 -62.2 116.0 105.2 87.9 36.0 7 7 A K H > S+ 0 0 135 -2,-0.4 4,-2.2 621,-0.3 5,-0.2 0.855 91.4 53.8 -53.8 -44.7 107.3 90.1 38.4 8 8 A V H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.943 114.3 38.8 -59.2 -51.6 105.2 93.3 37.9 9 9 A Y H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.736 112.1 57.6 -75.1 -22.0 101.9 91.7 38.7 10 10 A Q H X S+ 0 0 43 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.918 106.8 49.5 -71.8 -42.6 103.3 89.6 41.5 11 11 A D H X S+ 0 0 57 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.867 108.4 53.7 -62.3 -37.3 104.5 92.8 43.2 12 12 A R H X S+ 0 0 31 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.883 109.0 48.5 -66.0 -37.5 101.1 94.3 42.8 13 13 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.940 112.0 48.8 -66.0 -46.3 99.5 91.3 44.5 14 14 A E H X S+ 0 0 76 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.867 110.2 51.6 -61.1 -37.6 102.0 91.5 47.3 15 15 A S H X S+ 0 0 41 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.924 112.6 45.1 -64.9 -45.5 101.4 95.2 47.8 16 16 A M H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.920 110.6 54.3 -64.5 -43.6 97.6 94.7 48.0 17 17 A Y H X S+ 0 0 27 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.912 108.8 49.0 -56.9 -43.2 98.1 91.8 50.3 18 18 A S H X S+ 0 0 77 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.900 111.6 48.3 -64.4 -41.4 100.1 94.0 52.7 19 19 A K H < S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 113.0 48.4 -66.0 -40.3 97.5 96.7 52.6 20 20 A I H < S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 -2,-0.2 0.873 117.6 40.1 -68.0 -37.5 94.7 94.3 53.3 21 21 A K H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.565 85.8 119.7 -88.0 -9.9 96.6 92.6 56.2 22 22 A D >X - 0 0 64 -4,-1.2 3,-2.2 -5,-0.2 4,-0.6 -0.408 59.2-147.3 -60.5 115.8 97.9 95.9 57.6 23 23 A P G >4 S+ 0 0 124 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.819 96.8 60.4 -53.0 -35.2 96.6 96.3 61.1 24 24 A A G 34 S+ 0 0 85 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.635 97.3 60.2 -70.6 -14.1 96.5 100.1 60.7 25 25 A N G <4 S- 0 0 17 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 0.701 97.1-138.8 -87.8 -20.1 94.0 99.7 57.8 26 26 A G << + 0 0 29 -3,-0.8 9,-0.1 -4,-0.6 -2,-0.1 0.769 54.7 137.9 71.9 30.9 91.3 98.0 59.8 27 27 A Y + 0 0 1 -5,-0.5 8,-2.8 -7,-0.3 2,-0.3 0.750 67.2 51.1 -77.0 -23.2 90.1 95.3 57.5 28 28 A F B S-A 34 0A 40 6,-0.3 2,-0.0 -5,-0.1 -2,-0.0 -0.856 79.3-125.0-118.1 152.8 89.9 92.7 60.3 29 29 A S > - 0 0 9 4,-2.8 3,-1.8 -2,-0.3 -2,-0.1 -0.255 43.0 -94.0 -81.1 175.9 88.4 92.7 63.8 30 30 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.771 127.0 57.5 -63.0 -25.6 90.5 91.9 66.9 31 31 A Q T 3 S- 0 0 52 2,-0.1 -1,-0.3 127,-0.1 -2,-0.0 0.389 123.0-103.9 -86.6 3.9 89.5 88.3 66.6 32 32 A G S < S+ 0 0 14 -3,-1.8 -2,-0.1 1,-0.3 51,-0.1 0.596 75.6 138.0 86.6 11.5 90.9 88.0 63.1 33 33 A I - 0 0 0 50,-0.0 -4,-2.8 125,-0.0 -1,-0.3 -0.781 52.9-125.8 -93.8 128.7 87.6 88.1 61.2 34 34 A P B -A 28 0A 0 0, 0.0 -6,-0.3 0, 0.0 19,-0.2 -0.528 22.3-132.7 -74.5 137.9 87.4 90.3 58.1 35 35 A Y - 0 0 22 -8,-2.8 575,-0.2 -2,-0.2 17,-0.2 -0.415 21.1-113.5 -81.4 163.6 84.7 93.0 58.0 36 36 A H S S- 0 0 14 15,-2.0 574,-2.4 13,-0.8 575,-0.5 0.896 97.8 -9.3 -63.1 -39.5 82.5 93.4 55.0 37 37 A S B -B 609 0B 0 12,-1.6 -1,-0.3 14,-0.3 572,-0.2 -0.986 63.2-118.8-155.2 155.3 84.1 96.9 54.5 38 38 A I S S+ 0 0 25 570,-1.7 -1,-0.1 -2,-0.3 2,-0.1 0.957 98.9 74.7 -59.9 -49.0 86.4 99.2 56.4 39 39 A E - 0 0 27 569,-0.1 -2,-0.2 1,-0.1 -3,-0.0 -0.381 69.8-155.4 -67.1 138.9 83.7 101.8 56.5 40 40 A T S S+ 0 0 25 9,-0.1 9,-2.9 1,-0.1 2,-1.6 0.822 78.6 76.8 -86.1 -34.5 80.8 101.2 58.9 41 41 A L S S+ 0 0 0 7,-0.2 2,-0.3 8,-0.1 -1,-0.1 -0.641 70.3 133.1 -79.2 92.4 78.0 103.2 57.2 42 42 A M + 0 0 0 -2,-1.6 2,-0.4 5,-0.2 8,-0.1 -0.946 31.0 176.8-151.1 121.9 77.4 100.6 54.6 43 43 A V + 0 0 6 -2,-0.3 4,-0.2 4,-0.1 503,-0.1 -0.973 37.5 106.6-129.8 115.8 74.1 99.2 53.3 44 44 A Q S S- 0 0 91 2,-2.6 144,-0.2 -2,-0.4 145,-0.1 0.037 99.9 -19.3-145.4 -98.2 74.2 96.7 50.4 45 45 A A S S+ 0 0 50 142,-0.1 2,-0.2 143,-0.1 -2,-0.0 0.867 141.9 41.8 -87.4 -49.6 73.5 93.0 51.0 46 46 A P S S- 0 0 1 0, 0.0 -2,-2.6 0, 0.0 3,-0.1 -0.533 83.0-137.4 -89.1 165.1 74.3 93.5 54.8 47 47 A D S S+ 0 0 2 -4,-0.2 2,-0.3 -2,-0.2 -5,-0.2 0.251 83.6 47.6-109.3 15.7 73.0 96.6 56.5 48 48 A Y S > S- 0 0 24 -7,-0.1 3,-1.4 1,-0.1 -12,-0.2 -0.967 75.3-132.5-153.4 134.5 76.1 97.5 58.5 49 49 A G T 3 S+ 0 0 0 -9,-2.9 -12,-1.6 -2,-0.3 -13,-0.8 0.781 101.7 53.3 -59.8 -30.9 79.7 97.7 57.4 50 50 A H T 3 S+ 0 0 33 -10,-0.3 109,-0.6 -15,-0.2 108,-0.5 0.102 82.6 93.9 -98.6 23.7 81.1 95.7 60.2 51 51 A V < - 0 0 0 -3,-1.4 -15,-2.0 106,-0.2 2,-0.3 -0.505 68.8-144.2 -92.1 175.6 79.0 92.6 60.0 52 52 A T E -C 156 0C 0 104,-2.2 104,-2.7 -17,-0.2 2,-0.3 -0.916 8.0-147.0-137.4 165.7 80.8 89.9 57.9 53 53 A T E > -C 155 0C 8 -2,-0.3 4,-1.7 102,-0.2 102,-0.2 -0.892 30.1-114.3-132.1 163.0 79.5 87.3 55.5 54 54 A S H > S+ 0 0 0 100,-1.6 4,-2.1 -2,-0.3 5,-0.2 0.805 117.8 63.9 -65.3 -26.1 80.5 83.8 54.4 55 55 A E H > S+ 0 0 24 99,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.947 102.6 48.0 -60.3 -47.2 81.3 85.4 51.0 56 56 A A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.898 108.8 53.3 -60.5 -42.5 84.0 87.5 52.7 57 57 A M H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.889 108.6 49.4 -61.6 -39.5 85.4 84.4 54.5 58 58 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.824 110.4 50.1 -70.5 -30.6 85.8 82.5 51.2 59 59 A Y H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.844 107.1 55.3 -73.3 -32.4 87.5 85.5 49.6 60 60 A Y H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.906 107.9 49.5 -64.5 -40.9 89.8 85.6 52.6 61 61 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 110.3 49.7 -62.3 -47.0 90.7 82.0 51.8 62 62 A W H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.901 111.5 49.7 -58.9 -44.1 91.3 82.8 48.2 63 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.945 112.3 45.5 -61.4 -51.8 93.6 85.7 49.1 64 64 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 13,-0.3 0.840 109.5 56.8 -62.9 -33.4 95.7 83.6 51.6 65 65 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.938 108.7 45.9 -62.1 -46.9 95.9 80.8 49.1 66 66 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.840 109.0 55.9 -64.6 -34.7 97.5 83.1 46.5 67 67 A H H X S+ 0 0 31 -4,-1.9 4,-2.5 1,-0.2 6,-0.4 0.896 105.8 51.8 -64.4 -40.4 99.8 84.5 49.2 68 68 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.880 104.6 57.6 -62.7 -38.0 101.0 81.0 49.8 69 69 A R H < S+ 0 0 16 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.5 31.4 -59.3 -42.8 101.7 80.6 46.1 70 70 A F H < S+ 0 0 26 -4,-1.6 -2,-0.2 3,-0.1 -1,-0.2 0.712 129.9 34.8 -90.8 -22.3 104.0 83.6 46.0 71 71 A S H < S- 0 0 55 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.687 91.2-130.8-105.4 -22.2 105.5 83.4 49.5 72 72 A G S < S+ 0 0 9 -4,-2.5 2,-0.6 -5,-0.4 -4,-0.2 0.467 74.0 117.2 83.0 0.5 105.7 79.6 50.1 73 73 A D + 0 0 65 -6,-0.4 -1,-0.2 1,-0.1 3,-0.2 -0.908 32.3 167.8-107.0 114.6 103.9 80.3 53.5 74 74 A F > + 0 0 12 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 0.263 50.1 102.0-108.2 10.6 100.5 78.8 53.9 75 75 A T H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.829 82.3 55.3 -62.7 -30.6 100.0 79.3 57.6 76 76 A G H > S+ 0 0 10 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 105.8 50.8 -70.2 -34.9 97.8 82.2 56.7 77 77 A F H > S+ 0 0 0 -13,-0.3 4,-1.5 -3,-0.3 3,-0.2 0.938 110.4 48.0 -67.7 -47.2 95.6 80.0 54.6 78 78 A D H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.851 109.8 55.1 -62.4 -31.8 95.2 77.4 57.4 79 79 A K H X S+ 0 0 104 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.858 101.0 56.9 -70.0 -34.6 94.4 80.3 59.7 80 80 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.890 109.6 46.4 -64.4 -35.6 91.5 81.5 57.5 81 81 A W H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.870 110.1 53.6 -71.6 -36.6 90.0 78.0 57.8 82 82 A S H X S+ 0 0 65 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.913 110.5 46.2 -63.2 -43.7 90.5 78.0 61.6 83 83 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 5,-0.4 0.889 112.4 52.3 -66.3 -38.7 88.7 81.3 61.9 84 84 A T H X>S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 5,-1.3 0.942 111.2 44.5 -62.5 -50.1 85.9 80.1 59.7 85 85 A E H <5S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.5 46.9 -65.2 -35.3 85.3 76.9 61.6 86 86 A Q H <5S+ 0 0 119 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.882 128.7 18.9 -75.4 -37.2 85.5 78.7 65.0 87 87 A Y H <5S+ 0 0 40 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.692 128.5 33.0-111.3 -22.1 83.2 81.6 64.1 88 88 A L T <5S+ 0 0 0 -4,-2.7 65,-2.9 -5,-0.4 -3,-0.2 0.598 102.3 70.6-112.4 -15.3 81.0 81.0 61.0 89 89 A I S > - 0 0 52 -5,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.095 33.9 -84.5 -78.5-177.5 79.6 74.6 66.8 92 92 A E T 34 S+ 0 0 132 1,-0.3 5,-0.2 2,-0.2 3,-0.1 0.852 132.6 52.0 -56.1 -37.5 78.2 71.9 69.0 93 93 A K T 34 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.1 0, 0.0 0.733 109.5 49.1 -72.5 -23.9 76.9 74.6 71.4 94 94 A D T <4 S+ 0 0 14 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.678 125.1 25.5 -89.8 -22.8 75.2 76.5 68.5 95 95 A Q S < S- 0 0 2 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.1 -0.572 92.9-146.0-140.0 70.3 73.4 73.6 67.0 96 96 A P >> - 0 0 24 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.047 9.7-137.8 -43.4 128.9 73.0 71.1 69.9 97 97 A N H 3> S+ 0 0 81 1,-0.3 4,-3.4 -5,-0.2 5,-0.3 0.836 99.8 71.8 -57.9 -36.5 73.1 67.4 69.0 98 98 A T H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 207,-0.1 0.857 112.0 29.1 -49.7 -37.1 70.2 66.8 71.4 99 99 A S H X4 S+ 0 0 2 -3,-1.2 3,-1.5 2,-0.1 -2,-0.2 0.875 119.0 53.3 -90.9 -44.4 68.0 68.5 68.8 100 100 A M H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.847 103.7 58.6 -60.4 -35.1 69.9 67.7 65.6 101 101 A S T 3< S+ 0 0 58 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.1 0.599 96.9 63.0 -71.8 -10.0 69.8 64.0 66.4 102 102 A R T < S+ 0 0 158 -3,-1.5 209,-0.3 -5,-0.3 -1,-0.3 0.320 74.8 131.6 -94.9 7.5 66.0 64.1 66.5 103 103 A Y < - 0 0 25 -3,-1.5 2,-0.7 207,-0.2 209,-0.1 -0.349 49.5-146.8 -60.5 137.2 65.9 65.1 62.8 104 104 A D > - 0 0 77 207,-0.4 3,-2.3 3,-0.4 30,-0.1 -0.896 8.6-164.1-113.9 102.9 63.4 63.0 60.8 105 105 A A T 3 S+ 0 0 28 -2,-0.7 29,-2.8 1,-0.3 -1,-0.1 0.666 91.3 58.5 -57.8 -18.0 64.5 62.5 57.2 106 106 A N T 3 S+ 0 0 91 1,-0.3 -1,-0.3 27,-0.2 25,-0.1 0.566 119.3 27.4 -89.2 -9.3 61.0 61.4 56.4 107 107 A K S < S+ 0 0 76 -3,-2.3 -3,-0.4 1,-0.1 -1,-0.3 -0.530 72.9 173.1-149.9 70.1 59.6 64.7 57.5 108 108 A P - 0 0 1 0, 0.0 205,-1.5 0, 0.0 2,-0.3 0.801 64.6 -27.1 -49.7 -41.4 62.4 67.3 57.0 109 109 A A - 0 0 10 203,-0.2 2,-0.5 166,-0.1 203,-0.0 -0.942 68.5 -89.0-164.0 179.8 60.3 70.3 57.8 110 110 A T - 0 0 47 -2,-0.3 17,-0.1 -3,-0.0 18,-0.0 -0.920 47.9-106.9-109.7 127.6 56.8 71.8 57.8 111 111 A Y + 0 0 21 -2,-0.5 15,-2.5 15,-0.4 18,-0.1 -0.158 37.9 177.9 -52.9 138.2 55.5 73.6 54.7 112 112 A A - 0 0 13 13,-0.2 13,-0.2 15,-0.0 2,-0.1 -0.984 25.0-125.5-142.5 127.8 55.2 77.4 54.9 113 113 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 268,-0.2 -0.362 16.6-134.1 -74.7 158.9 54.1 79.5 51.9 114 114 A E - 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0 0 6 4,-2.7 3,-2.4 -2,-0.4 -402,-0.1 -0.417 46.5 -95.1 -78.9 164.4 65.9 95.7 70.1 566 566 A P T 3 S+ 0 0 39 0, 0.0 -403,-0.1 0, 0.0 -1,-0.1 0.831 126.2 52.9 -50.9 -37.1 68.7 95.1 72.6 567 567 A N T 3 S- 0 0 71 -405,-0.3 -404,-0.1 1,-0.0 14,-0.0 0.385 126.4 -98.0 -82.3 4.3 69.6 98.8 72.8 568 568 A G < + 0 0 40 -3,-2.4 -1,-0.0 1,-0.3 12,-0.0 0.264 69.6 152.6 100.6 -12.8 66.0 99.7 73.6 569 569 A D - 0 0 24 -5,-0.1 -4,-2.7 1,-0.1 2,-0.3 -0.294 45.7-123.8 -54.6 129.4 64.7 100.7 70.1 570 570 A V E -L 564 0H 58 -6,-0.2 2,-0.7 9,-0.2 -6,-0.3 -0.610 16.5-151.7 -81.8 132.6 61.0 100.1 70.0 571 571 A I E +L 563 0H 0 -8,-3.2 -8,-1.6 -2,-0.3 2,-0.3 -0.911 40.8 126.5-105.6 112.4 59.7 97.8 67.2 572 572 A K > - 0 0 106 -2,-0.7 3,-1.8 -10,-0.2 -17,-0.2 -0.972 66.1 -63.0-157.7 163.4 56.1 98.7 66.2 573 573 A S T 3 S+ 0 0 63 -12,-0.4 -17,-0.1 -2,-0.3 -19,-0.0 -0.235 117.1 34.2 -52.6 133.3 54.1 99.6 63.2 574 574 A G T 3 S+ 0 0 37 -19,-0.6 -1,-0.2 1,-0.3 -18,-0.1 0.148 81.1 135.1 107.6 -20.1 55.3 102.8 61.6 575 575 A V < - 0 0 12 -3,-1.8 -20,-2.7 -20,-0.2 -1,-0.3 -0.208 43.3-141.2 -63.4 154.3 59.0 102.6 62.3 576 576 A K B >> -A 554 0T 71 -22,-0.3 4,-0.7 1,-0.0 3,-0.7 -0.605 34.2 -91.9-107.2 171.9 61.5 103.4 59.6 577 577 A F G >4 S+ 0 0 0 -24,-1.6 3,-1.0 -28,-0.5 -26,-0.2 0.917 127.2 47.6 -48.4 -50.4 64.8 101.7 58.8 578 578 A I G >4 S+ 0 0 9 -28,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.754 97.4 71.7 -66.8 -26.0 66.7 104.1 61.1 579 579 A D G <4 S+ 0 0 68 -3,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.733 102.9 40.4 -65.3 -24.0 64.3 103.8 64.0 580 580 A I G << S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.205 119.2 46.7-108.7 15.2 65.4 100.2 64.9 581 581 A R X + 0 0 5 -3,-1.4 3,-2.2 -4,-0.1 4,-0.2 -0.282 64.4 152.2-145.4 47.6 69.1 100.9 64.3 582 582 A S G > + 0 0 35 -3,-0.3 3,-1.6 1,-0.3 4,-0.2 0.697 61.7 75.7 -58.8 -20.7 69.5 104.2 66.2 583 583 A K G > S+ 0 0 68 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.741 78.5 76.6 -63.4 -19.5 73.1 103.5 67.0 584 584 A Y G X S+ 0 0 0 -3,-2.2 3,-2.0 1,-0.3 -1,-0.3 0.817 79.7 69.9 -59.8 -29.9 73.8 104.4 63.3 585 585 A K G < S+ 0 0 116 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.648 92.6 58.1 -63.9 -13.9 73.4 108.1 64.3 586 586 A Q G < S+ 0 0 151 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.490 79.7 117.5 -93.2 -4.7 76.7 107.8 66.2 587 587 A D S X S- 0 0 15 -3,-2.0 3,-1.6 -4,-0.2 4,-0.5 -0.387 73.4-126.2 -65.5 138.2 78.6 106.8 63.0 588 588 A P T 3 S+ 0 0 119 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.801 110.8 46.4 -53.6 -33.3 81.3 109.2 62.0 589 589 A E T 3> S+ 0 0 57 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.513 87.1 93.4 -89.4 -6.6 79.7 109.5 58.5 590 590 A W H <> S+ 0 0 14 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 0.936 84.0 46.7 -52.4 -58.2 76.2 109.9 59.7 591 591 A Q H > S+ 0 0 139 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.859 112.5 51.9 -55.3 -38.3 76.0 113.7 59.7 592 592 A T H > S+ 0 0 102 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.924 111.1 46.8 -64.9 -44.0 77.6 113.9 56.3 593 593 A M H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.926 114.6 45.6 -63.7 -47.4 75.1 111.5 54.8 594 594 A V H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.874 108.5 57.4 -65.1 -38.3 72.0 113.2 56.3 595 595 A A H X S+ 0 0 59 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.935 107.1 49.0 -58.1 -46.0 73.4 116.6 55.3 596 596 A A H <>S+ 0 0 18 -4,-1.9 5,-2.8 1,-0.2 -1,-0.2 0.895 111.0 49.1 -61.3 -42.8 73.4 115.5 51.6 597 597 A L H ><5S+ 0 0 33 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.905 108.4 53.6 -64.4 -41.7 69.9 114.1 51.8 598 598 A Q H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.2 52.8 -61.6 -35.2 68.6 117.3 53.3 599 599 A A T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.346 120.9-109.2 -83.2 7.2 70.1 119.3 50.5 600 600 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.818 76.2 133.1 70.0 31.1 68.3 117.1 48.0 601 601 A Q < - 0 0 122 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.772 62.7-110.1-114.3 159.1 71.6 115.5 46.9 602 602 A V - 0 0 70 -2,-0.3 -57,-0.1 -3,-0.1 -5,-0.0 -0.750 39.8-120.6 -86.4 125.3 72.7 111.9 46.3 603 603 A P - 0 0 8 0, 0.0 -59,-3.2 0, 0.0 2,-0.3 -0.324 27.0-154.8 -64.8 149.4 75.1 110.8 49.0 604 604 A T E -Z 543 0S 82 -61,-0.2 2,-0.3 -60,-0.1 -61,-0.2 -0.931 11.8-176.0-125.0 150.7 78.5 109.7 47.8 605 605 A Q E -Z 542 0S 9 -63,-2.4 -63,-2.7 -2,-0.3 2,-0.6 -0.966 26.9-141.0-143.4 158.9 81.0 107.4 49.5 606 606 A R E -Z 541 0S 125 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.919 38.1-169.0-121.0 96.8 84.5 106.0 48.9 607 607 A L - 0 0 7 -2,-0.6 2,-0.6 -67,-0.5 -67,-0.3 -0.694 26.8-159.3-100.5 144.7 84.2 102.4 50.0 608 608 A H - 0 0 9 -2,-0.3 -570,-1.7 -69,-0.1 2,-0.4 -0.804 19.7-170.1-117.1 84.0 86.8 99.7 50.7 609 609 A R B > -B 37 0B 17 -2,-0.6 4,-2.3 -572,-0.2 -572,-0.3 -0.628 21.3-137.9 -76.8 129.6 84.8 96.4 50.4 610 610 A F H > S+ 0 0 0 -574,-2.4 4,-2.4 -2,-0.4 5,-0.2 0.913 102.8 48.6 -54.9 -47.8 86.9 93.4 51.6 611 611 A W H > S+ 0 0 25 -575,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.889 111.0 51.6 -62.6 -36.7 85.7 91.2 48.7 612 612 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 110.6 47.0 -65.5 -44.0 86.5 93.9 46.1 613 613 A Q H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 115.4 46.1 -64.1 -44.0 90.1 94.4 47.5 614 614 A S H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.887 109.5 55.1 -65.8 -39.4 90.7 90.7 47.5 615 615 A E H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.943 110.3 45.7 -58.1 -48.8 89.2 90.3 44.1 616 616 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.905 113.3 49.8 -62.1 -43.0 91.7 92.9 42.7 617 617 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.959 113.1 45.6 -60.6 -51.7 94.6 91.3 44.6 618 618 A V H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.878 108.2 57.1 -60.4 -39.8 93.7 87.8 43.2 619 619 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.877 106.7 49.8 -60.5 -37.8 93.2 89.1 39.7 620 620 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.923 111.5 49.0 -66.6 -42.7 96.7 90.5 39.7 621 621 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.920 109.4 51.5 -61.9 -44.9 98.1 87.1 41.0 622 622 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.901 110.7 47.7 -59.9 -43.4 96.2 85.2 38.3 623 623 A Y H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.920 108.6 55.8 -64.6 -41.9 97.6 87.4 35.5 624 624 A A H < S+ 0 0 0 -4,-2.2 -618,-2.8 1,-0.2 -1,-0.2 0.864 112.9 41.3 -57.5 -39.0 101.1 87.0 36.9 625 625 A I H < S+ 0 0 26 -4,-1.8 -1,-0.2 -620,-0.2 -2,-0.2 0.857 118.3 42.6 -80.1 -37.7 100.9 83.2 36.8 626 626 A L H < S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.673 124.7 34.6 -84.5 -18.0 99.2 82.8 33.4 627 627 A F < + 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.496 65.2 162.9-136.3 66.0 101.2 85.4 31.6 628 628 A P 0 0 47 0, 0.0 -621,-0.3 0, 0.0 -1,-0.1 0.683 360.0 360.0 -57.1 -23.4 104.8 85.3 33.1 629 629 A D 0 0 199 -623,-0.1 -623,-0.1 -3,-0.1 -3,-0.0 -0.649 360.0 360.0-122.5 360.0 106.2 87.2 30.2