==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAY-06 2GUU . COMPND 2 MOLECULE: ODCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR A.DONG,J.LEW,Y.ZHAO,E.SUNDARARAJAN,G.WASNEY,M.VEDADI,I.KOEIE . 317 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 3 1 0 0 2 0 1 1 1 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 21 A L > 0 0 26 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.8 57.5 -4.0 48.6 2 22 A K H > + 0 0 49 230,-1.9 4,-2.2 2,-0.2 5,-0.1 0.961 360.0 40.0 -60.5 -46.0 59.6 -3.4 51.7 3 23 A I H > S+ 0 0 119 229,-0.2 4,-3.0 2,-0.2 5,-0.2 0.909 113.6 54.6 -64.9 -44.4 62.7 -3.5 49.4 4 24 A K H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 111.6 44.5 -57.7 -47.1 60.9 -1.6 46.6 5 25 A L H X S+ 0 0 5 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.897 112.7 51.1 -66.2 -40.9 60.1 1.3 49.0 6 26 A Q H X S+ 0 0 64 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.955 112.5 46.6 -61.5 -48.1 63.6 1.3 50.5 7 27 A K H X S+ 0 0 139 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.919 114.1 47.2 -59.2 -45.6 65.2 1.5 47.1 8 28 A R H X S+ 0 0 23 -4,-2.4 4,-2.4 -5,-0.2 5,-0.4 0.900 108.8 56.2 -60.4 -45.4 62.8 4.2 45.9 9 29 A R H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 5,-0.4 0.890 107.6 47.9 -50.2 -48.1 63.4 6.2 49.2 10 30 A D H < S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.752 112.9 50.4 -71.1 -24.0 67.2 6.2 48.5 11 31 A E H < S+ 0 0 135 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.882 124.6 23.2 -82.2 -39.9 66.6 7.4 44.9 12 32 A V H < S- 0 0 11 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.584 91.6-139.1-104.1 -12.1 64.2 10.3 45.6 13 33 A N < + 0 0 89 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.1 0.883 66.2 89.4 58.6 45.8 65.2 11.1 49.2 14 34 A T - 0 0 0 -5,-0.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.936 68.2-141.2-156.0 171.9 61.6 11.7 50.5 15 35 A C + 0 0 0 -2,-0.3 273,-2.3 -3,-0.1 2,-0.3 0.011 56.0 138.4-124.5 18.2 58.5 10.1 51.9 16 36 A L E -a 288 0A 0 80,-0.3 82,-2.9 271,-0.2 83,-1.1 -0.530 35.6-164.6 -70.2 126.9 56.1 12.2 49.8 17 37 A C E -ab 289 99A 0 271,-2.8 273,-2.5 -2,-0.3 2,-0.5 -0.979 14.4-140.6-110.0 121.2 53.2 10.2 48.4 18 38 A I E -ab 290 100A 0 81,-2.5 83,-2.3 -2,-0.5 2,-0.5 -0.757 11.1-143.9 -84.7 127.4 51.4 12.1 45.6 19 39 A G E - b 0 101A 0 271,-2.7 2,-0.6 -2,-0.5 276,-0.3 -0.771 10.0-164.4 -91.1 131.2 47.6 11.7 45.7 20 40 A L E + b 0 102A 0 81,-2.7 83,-0.6 -2,-0.5 86,-0.1 -0.826 29.2 146.6-120.1 89.7 46.0 11.5 42.3 21 41 A D - 0 0 27 -2,-0.6 2,-0.3 81,-0.2 81,-0.1 -0.677 27.9-167.7-122.3 71.3 42.3 12.1 42.8 22 42 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.476 3.0-164.7 -74.7 124.5 41.1 14.0 39.7 23 43 A D > - 0 0 47 -2,-0.3 4,-1.9 1,-0.0 3,-0.3 -0.470 38.4 -94.5 -99.4 175.8 37.6 15.5 39.9 24 44 A E H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.885 124.4 53.5 -62.4 -37.0 35.5 16.8 37.0 25 45 A A H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 107.5 52.2 -61.3 -39.1 36.7 20.4 37.4 26 46 A D H > S+ 0 0 15 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.918 113.7 42.2 -63.1 -47.3 40.3 19.2 37.2 27 47 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.948 117.0 46.5 -67.7 -49.7 39.7 17.3 34.0 28 48 A K H X S+ 0 0 109 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 114.6 47.7 -59.0 -46.3 37.5 20.0 32.4 29 49 A S H X S+ 0 0 66 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.862 111.4 49.9 -64.5 -39.0 40.0 22.8 33.4 30 50 A F H X S+ 0 0 9 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.929 112.1 48.2 -64.0 -46.8 43.0 20.8 32.0 31 51 A M H X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 111.5 52.4 -53.8 -48.7 41.1 20.2 28.7 32 52 A Q H X S+ 0 0 116 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 112.3 42.1 -56.2 -50.0 40.3 23.9 28.6 33 53 A S H X S+ 0 0 56 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.748 113.5 53.8 -75.7 -21.5 43.9 25.1 29.1 34 54 A E H X>S+ 0 0 0 -4,-1.8 5,-3.3 2,-0.2 4,-0.6 0.845 108.4 49.1 -75.9 -36.9 45.2 22.5 26.7 35 55 A K H ><5S+ 0 0 59 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.957 116.1 43.9 -63.4 -47.5 42.8 23.7 24.0 36 56 A Q H 3<5S+ 0 0 160 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.865 117.7 43.5 -64.4 -42.0 43.9 27.3 24.6 37 57 A N H 3<5S- 0 0 53 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.353 117.1-104.4 -89.9 3.4 47.7 26.5 24.8 38 58 A G T <<5 - 0 0 36 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.822 67.6 -65.7 75.5 33.5 47.9 24.2 21.8 39 59 A Y S > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.849 72.6 47.7 -55.6 -43.1 51.5 21.6 25.4 41 61 A S H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 110.1 52.3 -72.1 -42.0 51.1 19.1 28.3 42 62 A V H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 107.0 53.4 -54.0 -48.8 49.8 16.3 26.1 43 63 A K H X S+ 0 0 130 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.898 108.9 49.6 -57.8 -39.1 52.9 16.8 23.8 44 64 A K H X S+ 0 0 106 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.891 107.1 54.6 -64.5 -39.9 55.1 16.4 26.9 45 65 A N H < S+ 0 0 9 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.885 108.7 50.3 -58.0 -37.4 53.2 13.2 27.9 46 66 A L H < S+ 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.844 121.1 31.0 -73.7 -35.0 54.0 11.8 24.5 47 67 A S H < S+ 0 0 65 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.816 119.4 50.1 -89.3 -35.1 57.8 12.5 24.6 48 68 A N S < S+ 0 0 65 -4,-3.1 -2,-0.1 -5,-0.2 -1,-0.1 0.140 76.1 97.9-101.7 23.0 58.5 12.2 28.3 49 69 A S 0 0 8 -4,-0.4 5,-0.3 -3,-0.2 -1,-0.2 0.149 360.0 360.0 -95.2 16.7 56.9 8.8 29.2 50 70 A G 0 0 34 -3,-0.3 3,-0.3 3,-0.2 -3,-0.0 -0.141 360.0 360.0 -56.7 360.0 60.2 6.8 29.0 51 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 52 84 A E 0 0 196 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.0 61.1 2.8 26.5 53 85 A L - 0 0 105 -3,-0.3 2,-0.3 1,-0.1 -3,-0.2 -0.476 360.0-106.4 -69.8 146.9 58.1 5.1 25.8 54 86 A F - 0 0 21 -5,-0.3 -5,-0.1 -2,-0.1 -1,-0.1 -0.551 24.4-158.3 -78.6 134.6 54.8 4.0 27.4 55 87 A A - 0 0 66 -2,-0.3 5,-0.1 -6,-0.0 6,-0.1 -0.900 19.5-135.2-112.2 100.1 52.1 2.4 25.3 56 88 A P - 0 0 11 0, 0.0 4,-0.3 0, 0.0 8,-0.1 -0.234 7.2-152.9 -49.9 132.0 48.7 2.8 27.0 57 89 A Q S S+ 0 0 122 1,-0.2 2,-0.8 2,-0.1 3,-0.3 0.806 81.1 63.8 -80.0 -29.5 46.8 -0.5 26.8 58 90 A M S S- 0 0 38 1,-0.2 -1,-0.2 58,-0.2 62,-0.1 -0.829 133.6 -20.4-102.9 107.5 43.3 1.1 27.0 59 91 A G S > S+ 0 0 32 -2,-0.8 4,-1.9 3,-0.1 -1,-0.2 0.870 85.4 159.9 61.5 40.7 42.7 3.3 24.0 60 92 A G H > + 0 0 5 -3,-0.3 4,-2.3 -4,-0.3 5,-0.1 0.878 65.9 53.4 -62.7 -42.1 46.4 3.6 23.4 61 93 A Q H > S+ 0 0 161 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.938 112.0 42.6 -59.9 -49.6 46.1 4.7 19.7 62 94 A M H 4 S+ 0 0 48 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.857 115.1 50.7 -67.6 -33.2 43.8 7.6 20.4 63 95 A L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.0 41.0 -70.9 -37.4 45.8 8.7 23.4 64 96 A L H < S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.472 93.2 131.6 -86.0 -3.4 49.1 8.6 21.5 65 97 A A < - 0 0 31 -4,-0.6 -3,-0.1 -3,-0.3 -4,-0.0 -0.023 67.3-124.5 -57.3 152.5 47.5 10.2 18.4 66 98 A E S S+ 0 0 193 1,-0.2 -1,-0.1 2,-0.0 -4,-0.0 0.807 101.5 29.9 -65.0 -32.3 48.9 13.1 16.4 67 99 A T S S- 0 0 108 -5,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.999 88.9-118.6-131.5 132.0 45.6 15.0 16.9 68 100 A P - 0 0 17 0, 0.0 9,-0.1 0, 0.0 -5,-0.1 -0.076 46.0 -78.9 -54.3 160.2 43.1 14.7 19.9 69 101 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 5,-0.0 -0.264 53.8-102.2 -58.9 154.3 39.5 13.6 19.5 70 102 A K > - 0 0 142 1,-0.1 3,-1.6 -3,-0.1 7,-0.2 -0.421 25.9-112.6 -81.4 157.0 36.9 16.1 18.2 71 103 A E T 3 S+ 0 0 125 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.719 114.0 68.1 -65.8 -21.6 34.5 17.9 20.4 72 104 A A T 3 S+ 0 0 86 1,-0.2 2,-1.4 2,-0.1 -1,-0.3 0.809 90.3 66.9 -64.3 -31.7 31.6 16.1 18.8 73 105 A Q <> + 0 0 91 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 -0.591 68.9 170.3 -89.3 72.4 33.0 12.9 20.4 74 106 A E H > S+ 0 0 153 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.834 72.4 45.7 -57.4 -44.1 32.2 14.0 23.9 75 107 A K H > S+ 0 0 132 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.938 114.5 46.8 -65.7 -50.2 33.0 10.7 25.6 76 108 A D H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.865 113.1 50.8 -58.6 -39.0 36.3 10.1 23.7 77 109 A E H X S+ 0 0 15 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.897 110.2 48.9 -68.6 -41.9 37.4 13.7 24.4 78 110 A F H X S+ 0 0 29 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.953 112.7 47.3 -63.7 -49.7 36.6 13.3 28.1 79 111 A F H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.917 111.1 53.5 -52.7 -47.5 38.6 10.0 28.2 80 112 A Y H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.936 114.2 39.5 -58.1 -48.4 41.5 11.6 26.3 81 113 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.761 111.7 56.8 -79.2 -24.4 41.9 14.5 28.7 82 114 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.948 111.8 43.3 -63.5 -51.8 41.3 12.5 31.9 83 115 A N H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.912 116.2 46.8 -61.0 -47.1 44.2 10.2 30.9 84 116 A H H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.835 108.1 55.8 -70.5 -31.3 46.4 13.0 29.9 85 117 A F H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.964 112.0 43.9 -58.5 -51.4 45.6 15.0 33.1 86 118 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 114.0 49.5 -55.9 -47.5 46.7 12.0 35.1 87 119 A F H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.878 110.8 51.6 -61.3 -40.0 49.9 11.5 32.9 88 120 A Y H X S+ 0 0 43 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 107.5 50.0 -63.1 -47.2 50.7 15.2 33.3 89 121 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.941 114.5 47.3 -59.7 -44.4 50.5 15.2 37.1 90 122 A I H >X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.6 0.963 113.1 45.2 -59.5 -54.5 52.8 12.1 37.1 91 123 A N H 3< S+ 0 0 20 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.873 114.5 50.0 -61.8 -36.8 55.4 13.5 34.7 92 124 A E H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.773 126.1 24.8 -66.8 -28.0 55.4 16.8 36.5 93 125 A T H X< S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.6 4,-0.3 0.554 86.7 98.8-118.0 -9.7 55.9 15.2 39.9 94 126 A K G >< S+ 0 0 47 -4,-2.5 3,-1.3 1,-0.3 -3,-0.1 0.801 78.9 62.7 -64.2 -30.2 57.5 11.8 39.6 95 127 A E G 3 S+ 0 0 100 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.801 110.9 40.5 -60.4 -26.9 61.0 13.0 40.5 96 128 A Y G < S+ 0 0 34 -3,-1.9 2,-0.5 -81,-0.0 -80,-0.3 0.323 97.1 102.6-100.9 4.6 59.7 14.1 44.0 97 129 A A < + 0 0 0 -3,-1.3 -80,-0.2 -4,-0.3 3,-0.1 -0.825 40.0 179.7-108.2 120.9 57.4 11.0 44.6 98 130 A L S S- 0 0 0 -82,-2.9 2,-0.3 -2,-0.5 -81,-0.2 0.792 84.2 -15.9 -72.0 -32.4 58.1 8.0 46.9 99 131 A A E -b 17 0A 1 -83,-1.1 -81,-2.5 31,-0.1 2,-0.4 -0.962 60.5-128.6-158.2 167.6 54.7 6.7 45.8 100 132 A Y E -bc 18 132A 0 31,-1.8 33,-2.1 -2,-0.3 2,-0.5 -0.994 16.0-160.1-123.1 144.4 51.4 7.6 44.2 101 133 A K E -bc 19 133A 6 -83,-2.3 -81,-2.7 -2,-0.4 2,-0.6 -0.977 4.7-163.3-124.7 122.6 48.0 6.9 45.8 102 134 A M E -bc 20 134A 0 31,-2.9 33,-2.5 -2,-0.5 2,-0.7 -0.928 15.1-138.2-107.0 123.6 45.0 6.9 43.5 103 135 A N E > - c 0 135A 28 -83,-0.6 3,-1.5 -2,-0.6 4,-0.4 -0.728 8.1-147.8 -88.4 117.6 41.6 7.1 45.2 104 136 A F G > S+ 0 0 37 31,-2.1 3,-1.7 -2,-0.7 4,-0.2 0.768 89.6 69.4 -47.8 -41.7 39.2 4.7 43.5 105 137 A A G > S+ 0 0 54 30,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.840 93.5 57.4 -48.1 -40.1 36.1 6.9 44.0 106 138 A F G < S+ 0 0 67 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 103.0 54.1 -71.3 -16.4 37.3 9.5 41.6 107 139 A Y G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.4 11,-0.2 0.286 101.5 62.6-102.5 13.3 37.5 6.9 38.7 108 140 A L S X S+ 0 0 76 -3,-1.3 3,-2.2 -4,-0.2 -2,-0.2 0.732 70.8 81.0-109.9 -32.4 33.9 5.7 39.0 109 141 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.702 97.5 49.4 -57.6 -17.0 31.4 8.5 38.3 110 142 A Y T > S- 0 0 65 1,-0.4 3,-0.7 2,-0.0 2,-0.2 0.292 106.3-129.3-105.0 7.6 31.7 8.0 34.5 111 143 A G T X> S- 0 0 39 -3,-2.2 3,-0.9 1,-0.2 4,-0.8 -0.536 72.3 -8.7 79.7-144.5 31.3 4.2 34.5 112 144 A S H >> S+ 0 0 81 1,-0.2 4,-2.1 -2,-0.2 3,-0.7 0.809 123.2 74.5 -62.7 -31.0 33.7 2.0 32.7 113 145 A L H <> S+ 0 0 9 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.881 98.1 44.5 -45.0 -52.4 35.5 5.0 31.1 114 146 A G H <> S+ 0 0 0 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.725 108.3 57.2 -72.7 -24.4 37.2 6.0 34.4 115 147 A V H S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 4,-0.8 0.879 111.3 51.1 -63.9 -37.7 53.3 3.8 37.0 126 158 A H H <5S+ 0 0 79 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.905 109.2 51.9 -60.1 -41.3 54.1 0.0 36.7 127 159 A H H <5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 115.0 40.4 -61.3 -45.0 56.1 1.0 33.5 128 160 A L H <5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.589 107.9-132.0 -75.6 -11.1 57.9 3.7 35.5 129 161 A N T <5 + 0 0 93 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.735 51.0 153.8 55.3 31.1 58.2 1.3 38.5 130 162 A V < - 0 0 3 -5,-1.9 -1,-0.2 1,-0.1 -31,-0.1 -0.727 54.0 -99.5 -82.8 133.4 57.0 3.9 41.0 131 163 A P - 0 0 3 0, 0.0 -31,-1.8 0, 0.0 2,-0.4 -0.211 44.8-152.5 -53.5 139.2 55.3 2.4 44.2 132 164 A T E -c 100 0A 5 -33,-0.2 28,-0.9 25,-0.1 2,-0.4 -0.920 17.7-170.6-125.4 144.2 51.5 2.4 43.9 133 165 A I E -cd 101 160A 3 -33,-2.1 -31,-2.9 -2,-0.4 2,-0.7 -0.997 11.6-153.8-130.5 128.6 48.6 2.5 46.4 134 166 A L E -cd 102 161A 0 26,-2.1 28,-1.3 -2,-0.4 2,-0.9 -0.924 13.9-150.1 -95.4 117.1 44.9 2.1 45.5 135 167 A D E +c 103 0A 6 -33,-2.5 -31,-2.1 -2,-0.7 -30,-0.4 -0.789 49.2 129.3 -89.2 105.7 42.8 3.9 48.1 136 168 A I E - 0 0 32 -2,-0.9 -1,-0.2 26,-0.3 27,-0.1 0.540 56.2-142.5-130.2 -21.5 39.6 1.9 48.3 137 169 A K E - 0 0 74 -3,-0.3 26,-0.3 25,-0.2 27,-0.1 0.900 37.3-166.4 50.8 44.1 39.2 1.2 52.0 138 170 A M E + d 0 163A 4 24,-1.6 26,-2.3 25,-0.1 2,-0.3 -0.224 18.5 163.7 -68.9 145.7 38.0 -2.2 50.9 139 171 A N + 0 0 60 24,-0.2 2,-0.3 -3,-0.1 26,-0.1 -0.930 10.8 114.2-160.7 135.4 36.1 -4.5 53.2 140 172 A D - 0 0 55 -2,-0.3 2,-0.1 24,-0.1 27,-0.0 -0.964 64.1 -53.1-174.5-168.2 33.9 -7.7 53.0 141 173 A I >> - 0 0 100 -2,-0.3 4,-2.5 1,-0.1 3,-0.9 -0.459 63.3 -98.4 -78.5 160.5 33.8 -11.4 53.8 142 174 A G H 3> S+ 0 0 21 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.838 120.2 51.3 -45.8 -50.7 36.7 -13.5 52.7 143 175 A N H 34 S+ 0 0 100 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.842 114.7 43.0 -61.6 -37.4 35.0 -14.9 49.5 144 176 A T H X> S+ 0 0 50 -3,-0.9 3,-1.4 1,-0.2 4,-1.2 0.915 108.6 58.4 -73.2 -45.5 34.0 -11.5 48.3 145 177 A V H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.3 -2,-0.2 0.775 93.8 67.7 -51.7 -34.6 37.4 -9.9 49.2 146 178 A K H 3X S+ 0 0 82 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.869 100.6 49.4 -55.0 -37.8 39.2 -12.5 46.9 147 179 A H H <> S+ 0 0 111 -3,-1.4 4,-2.0 -4,-0.5 -1,-0.2 0.875 108.7 50.4 -74.0 -36.4 37.5 -10.7 44.0 148 180 A Y H X S+ 0 0 88 -4,-1.2 4,-2.9 2,-0.2 5,-0.3 0.942 108.7 53.9 -61.2 -47.4 38.7 -7.3 45.2 149 181 A R H X>S+ 0 0 10 -4,-3.0 4,-3.1 2,-0.2 5,-0.9 0.883 106.1 52.7 -49.9 -44.6 42.2 -8.8 45.5 150 182 A K H X>S+ 0 0 95 -4,-1.7 5,-2.8 3,-0.2 4,-1.0 0.935 113.1 44.2 -62.3 -46.5 42.0 -9.9 41.8 151 183 A F H <>S+ 0 0 43 -4,-2.0 5,-2.7 3,-0.2 6,-0.3 0.971 122.0 36.5 -58.5 -55.7 41.1 -6.4 40.7 152 184 A I H <5S+ 0 0 0 -4,-2.9 6,-2.9 3,-0.2 -2,-0.2 0.917 131.8 23.6 -67.0 -46.1 43.7 -4.6 42.9 153 185 A F H <5S+ 0 0 12 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.817 131.3 31.7-100.8 -32.6 46.6 -7.0 42.7 154 186 A D T < + 0 0 10 -2,-0.5 3,-2.0 24,-0.3 5,-0.1 0.111 47.4 120.6-105.1 28.5 38.8 -4.0 59.2 166 198 A Y T 3 S+ 0 0 204 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.878 78.8 56.5 -52.6 -39.3 35.7 -3.1 61.2 167 199 A M T 3 S- 0 0 96 -3,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.678 125.2 -84.7 -63.0 -23.3 34.5 -6.6 60.2 168 200 A G < - 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0 0 55 1,-0.1 4,-2.7 2,-0.0 -1,-0.3 -0.848 64.3-173.7-136.8 97.5 52.1 24.4 39.2 300 333 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.892 89.3 57.1 -57.8 -37.9 52.0 20.8 40.5 301 334 A Q H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.930 112.0 40.2 -56.0 -46.9 55.8 20.5 39.8 302 335 A Q H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 114.2 53.3 -73.3 -40.4 56.5 23.4 42.1 303 336 A A H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.935 112.2 45.5 -51.0 -50.7 54.0 22.3 44.7 304 337 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.936 111.8 51.6 -62.7 -47.1 55.6 18.9 44.7 305 338 A R H X S+ 0 0 105 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.873 108.7 52.0 -56.0 -42.3 59.1 20.4 44.9 306 339 A E H X S+ 0 0 99 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.909 112.1 44.7 -62.6 -46.6 58.0 22.6 47.9 307 340 A Y H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.911 110.5 55.5 -65.6 -39.0 56.7 19.6 49.8 308 341 A H H X S+ 0 0 27 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 111.2 44.6 -57.2 -45.2 59.8 17.7 48.9 309 342 A Q H X S+ 0 0 66 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.870 111.3 51.8 -65.9 -42.7 61.9 20.5 50.5 310 343 A Q H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 112.4 46.4 -63.6 -44.1 59.8 20.9 53.6 311 344 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.926 111.2 52.1 -62.2 -47.5 60.0 17.2 54.3 312 345 A K H X S+ 0 0 115 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.917 111.9 47.4 -51.2 -47.3 63.8 17.2 53.6 313 346 A E H X S+ 0 0 94 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.895 112.8 46.7 -65.1 -45.1 64.1 20.1 56.1 314 347 A V H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.878 110.9 52.6 -65.5 -40.2 62.0 18.4 58.9 315 348 A L H X S+ 0 0 16 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.770 107.1 53.3 -66.1 -30.4 63.8 15.0 58.4 316 349 A A H < S+ 0 0 65 -4,-1.3 3,-0.5 -5,-0.2 -2,-0.2 0.932 106.9 51.6 -66.1 -47.6 67.1 17.0 58.9 317 350 A E H < S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.7 40.2 -49.3 -43.2 65.7 18.4 62.2 318 351 A L H < 0 0 47 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.653 360.0 360.0 -86.7 -19.3 64.9 14.8 63.2 319 352 A Q < 0 0 196 -4,-1.2 -3,-0.1 -3,-0.5 -38,-0.0 -0.144 360.0 360.0 -54.3 360.0 67.9 12.9 62.0