==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-AUG-10 2XPN . COMPND 2 MOLECULE: IWS1; . SOURCE 2 ORGANISM_SCIENTIFIC: ENCEPHALITOZOON CUNICULI; . AUTHOR M.-L.DIEBOLD,M.KOCH,V.CURA,J.CAVARELLI,C.ROMIER . 158 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 2 1 0 1 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 54 A M 0 0 184 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.2 7.2 28.0 -30.9 2 55 A D > - 0 0 90 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.726 360.0-140.2 -98.9 130.2 4.0 28.3 -33.0 3 56 A P H > S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.763 105.1 59.6 -67.7 -21.1 0.8 29.2 -31.0 4 57 A G H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.918 106.6 47.5 -64.2 -44.2 -1.2 26.8 -33.2 5 58 A T H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 108.9 53.3 -65.0 -39.6 1.2 24.0 -31.9 6 59 A V H X S+ 0 0 24 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.947 109.1 49.2 -55.7 -47.2 0.7 25.2 -28.3 7 60 A L H X S+ 0 0 58 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.900 109.4 52.3 -60.8 -43.2 -3.1 24.9 -28.8 8 61 A E H X S+ 0 0 132 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.920 109.8 49.6 -55.6 -45.9 -2.6 21.4 -30.2 9 62 A I H X S+ 0 0 69 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.927 111.8 48.1 -62.9 -45.1 -0.5 20.5 -27.1 10 63 A S H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.948 113.2 46.0 -60.8 -48.2 -3.2 21.8 -24.8 11 64 A R H X S+ 0 0 137 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.864 110.2 55.4 -63.9 -37.3 -6.1 20.1 -26.5 12 65 A S H X S+ 0 0 78 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.918 108.9 46.7 -57.3 -46.6 -4.1 16.8 -26.6 13 66 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 110.1 53.9 -65.4 -39.8 -3.5 16.9 -22.8 14 67 A K H X S+ 0 0 36 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.931 110.9 45.5 -57.3 -48.1 -7.2 17.7 -22.2 15 68 A K H X S+ 0 0 119 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 111.6 53.1 -63.0 -43.8 -8.2 14.6 -24.3 16 69 A R H X S+ 0 0 68 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 110.0 46.9 -57.4 -45.2 -5.6 12.5 -22.5 17 70 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 113.7 49.7 -62.7 -43.4 -7.0 13.5 -19.0 18 71 A Q H X S+ 0 0 62 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.901 111.6 47.4 -58.9 -46.4 -10.6 12.8 -20.3 19 72 A D H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.894 112.3 49.2 -68.3 -39.1 -9.6 9.4 -21.6 20 73 A I H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 17,-0.2 0.929 111.7 48.5 -65.2 -46.5 -7.8 8.4 -18.4 21 74 A L H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.928 110.9 51.1 -59.6 -48.8 -10.6 9.4 -16.2 22 75 A K H X S+ 0 0 141 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.898 111.9 46.4 -53.4 -46.2 -13.2 7.6 -18.3 23 76 A K H X S+ 0 0 139 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.908 112.6 50.3 -68.0 -43.0 -11.2 4.3 -18.2 24 77 A D H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 113.0 46.2 -55.3 -47.6 -10.6 4.7 -14.4 25 78 A N H X S+ 0 0 45 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.854 111.4 51.2 -67.8 -35.6 -14.4 5.2 -13.8 26 79 A A H X S+ 0 0 39 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.935 110.9 48.7 -67.8 -44.2 -15.4 2.3 -16.1 27 80 A N H ><>S+ 0 0 47 -4,-2.4 5,-2.8 1,-0.2 3,-0.7 0.969 111.9 49.5 -58.7 -51.3 -13.0 -0.0 -14.3 28 81 A N H ><5S+ 0 0 23 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.892 109.1 52.1 -53.0 -45.3 -14.4 1.2 -10.9 29 82 A L H 3<5S+ 0 0 133 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.809 110.5 48.8 -57.0 -34.2 -18.0 0.6 -12.2 30 83 A E T <<5S- 0 0 115 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.304 122.8-106.9 -91.8 6.5 -17.0 -2.9 -13.1 31 84 A G T < 5S+ 0 0 72 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.735 78.5 126.9 76.8 25.8 -15.4 -3.5 -9.7 32 85 A R < - 0 0 115 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.817 67.2 -87.6-114.2 155.1 -11.8 -3.4 -11.0 33 86 A P - 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.248 32.9-134.7 -56.7 143.3 -8.8 -1.2 -9.7 34 87 A A + 0 0 22 1,-0.1 -10,-0.1 -7,-0.1 -9,-0.0 -0.897 40.2 153.2 -94.1 128.2 -8.4 2.2 -11.2 35 88 A T > + 0 0 80 -2,-0.5 4,-2.8 3,-0.1 5,-0.1 0.444 45.6 86.3-131.2 -8.8 -4.8 2.7 -12.1 36 89 A G H > S+ 0 0 11 2,-0.2 4,-1.5 -16,-0.2 -15,-0.1 0.893 92.7 42.6 -71.1 -45.5 -4.7 5.2 -14.9 37 90 A K H > S+ 0 0 6 -17,-0.2 4,-1.9 2,-0.2 3,-0.3 0.945 117.0 50.3 -65.7 -45.5 -4.7 8.5 -13.0 38 91 A I H 4 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.933 112.4 46.5 -53.3 -49.8 -2.2 7.0 -10.6 39 92 A E H < S+ 0 0 155 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.788 124.5 31.4 -62.7 -30.2 0.1 5.9 -13.4 40 93 A N H X S+ 0 0 30 -4,-1.5 4,-2.5 -3,-0.3 5,-0.3 0.490 88.2 94.8-111.9 -6.0 -0.1 9.2 -15.3 41 94 A V H X S+ 0 0 2 -4,-1.9 4,-2.7 -3,-0.3 5,-0.2 0.877 85.7 49.9 -65.0 -38.8 -0.5 12.0 -12.6 42 95 A E H > S+ 0 0 92 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.958 115.8 41.7 -68.4 -47.1 3.2 12.9 -12.3 43 96 A E H > S+ 0 0 106 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 117.7 46.9 -61.4 -43.4 3.8 13.3 -16.1 44 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.884 109.6 54.4 -68.9 -36.4 0.5 15.1 -16.6 45 98 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.908 104.1 55.5 -65.1 -37.9 1.1 17.4 -13.7 46 99 A D H < S+ 0 0 102 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.897 111.1 44.3 -58.5 -42.5 4.5 18.3 -15.2 47 100 A I H >< S+ 0 0 40 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.912 109.6 54.9 -68.4 -45.0 2.7 19.4 -18.4 48 101 A L H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.822 108.1 52.7 -58.4 -30.3 -0.1 21.2 -16.4 49 102 A M T 3< S+ 0 0 51 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.367 76.2 122.7 -88.3 8.6 2.7 23.2 -14.8 50 103 A S X> - 0 0 43 -3,-2.0 3,-1.3 1,-0.2 4,-1.0 -0.567 55.2-150.0 -70.6 117.4 4.4 24.3 -18.0 51 104 A K G >4 S+ 0 0 198 -2,-0.6 3,-0.6 1,-0.3 4,-0.5 0.881 95.7 56.2 -55.9 -37.3 4.5 28.1 -17.8 52 105 A A G 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.698 113.9 39.4 -68.6 -21.1 4.3 28.3 -21.7 53 106 A L G <> S+ 0 0 16 -3,-1.3 4,-3.1 -6,-0.2 -1,-0.2 0.504 89.3 90.1-102.2 -10.0 1.1 26.2 -21.7 54 107 A Q H S+ 0 0 173 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.918 117.5 44.4 -60.7 -43.9 -2.8 30.4 -20.4 56 109 A S H > S+ 0 0 19 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 111.0 52.1 -66.0 -47.8 -3.8 28.1 -23.2 57 110 A L H <>S+ 0 0 0 -4,-3.1 5,-2.2 2,-0.2 6,-0.2 0.949 114.2 44.1 -57.1 -43.6 -4.7 25.1 -20.9 58 111 A L H ><5S+ 0 0 13 -4,-2.5 3,-1.6 -5,-0.2 5,-0.2 0.918 112.2 52.8 -68.3 -40.0 -6.9 27.4 -18.8 59 112 A D H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 106.3 54.4 -58.8 -40.2 -8.4 28.9 -22.0 60 113 A E T 3<5S- 0 0 39 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.166 122.1-107.2 -84.3 16.4 -9.1 25.3 -23.2 61 114 A G T X>5 + 0 0 21 -3,-1.6 3,-2.3 -5,-0.1 4,-0.6 0.741 60.9 158.6 70.8 29.7 -11.2 24.6 -20.0 62 115 A I H 3>< + 0 0 1 -5,-2.2 4,-2.3 1,-0.3 3,-0.5 0.744 63.7 73.5 -61.0 -21.9 -8.6 22.3 -18.3 63 116 A L H 3> S+ 0 0 4 -5,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.810 88.0 63.2 -63.2 -25.4 -10.1 22.9 -14.9 64 117 A D H <> S+ 0 0 74 -3,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.923 108.2 40.7 -58.0 -46.2 -13.0 20.7 -16.0 65 118 A E H X S+ 0 0 18 -4,-0.6 4,-2.3 -3,-0.5 -2,-0.2 0.869 113.1 51.8 -72.8 -41.8 -10.6 17.8 -16.3 66 119 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.930 110.6 51.0 -56.9 -49.1 -8.7 18.6 -13.1 67 120 A K H >X S+ 0 0 39 -4,-2.5 4,-1.4 1,-0.2 3,-0.6 0.937 109.3 50.4 -52.9 -49.9 -12.1 18.7 -11.3 68 121 A G H 3< S+ 0 0 9 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.886 107.9 52.2 -57.4 -43.5 -13.1 15.3 -12.7 69 122 A W H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 113.2 46.3 -64.2 -27.9 -9.8 13.8 -11.6 70 123 A L H << S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.689 94.7 97.5 -84.6 -19.6 -10.5 15.1 -8.1 71 124 A E S < S- 0 0 61 -4,-1.4 6,-0.0 -3,-0.4 82,-0.0 -0.195 86.8 -86.1 -73.0 156.9 -14.1 14.0 -7.9 72 125 A P - 0 0 14 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.267 45.5-112.9 -55.7 151.1 -15.3 10.8 -6.2 73 126 A L > - 0 0 17 4,-3.5 3,-2.2 -3,-0.1 -48,-0.1 -0.222 40.2 -90.6 -74.7 172.1 -15.3 7.6 -8.2 74 127 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.835 129.2 57.9 -57.2 -29.9 -18.6 6.0 -9.2 75 128 A D T 3 S- 0 0 84 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.416 120.4-110.4 -82.5 5.9 -18.4 3.9 -5.9 76 129 A K S < S+ 0 0 99 -3,-2.2 2,-0.1 1,-0.3 83,-0.1 0.432 77.9 130.6 81.5 3.6 -18.3 7.1 -3.9 77 130 A S - 0 0 49 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.460 59.5-113.4 -80.2 158.1 -14.6 6.5 -2.9 78 131 A M - 0 0 36 -6,-0.2 3,-0.1 -2,-0.1 -7,-0.1 -0.633 35.6 -93.7 -92.2 150.8 -12.1 9.3 -3.4 79 132 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.232 62.1 -70.3 -60.6 159.0 -9.2 9.2 -5.9 80 133 A N >> - 0 0 57 1,-0.1 3,-1.7 3,-0.1 4,-1.6 -0.116 44.0-117.0 -55.3 141.3 -5.8 7.9 -4.6 81 134 A I H 3> S+ 0 0 75 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.775 112.1 66.0 -56.1 -29.0 -4.1 10.3 -2.3 82 135 A K H 3> S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.874 106.4 42.3 -61.6 -35.8 -1.2 10.7 -4.7 83 136 A I H <> S+ 0 0 1 -3,-1.7 4,-2.7 2,-0.2 5,-0.3 0.894 112.0 54.4 -73.3 -42.3 -3.6 12.4 -7.1 84 137 A R H X S+ 0 0 36 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.952 113.6 41.0 -58.2 -50.0 -5.3 14.5 -4.4 85 138 A K H X S+ 0 0 94 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.943 116.9 47.5 -65.2 -47.7 -2.0 16.0 -3.2 86 139 A R H X S+ 0 0 46 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.909 111.6 47.2 -68.8 -43.5 -0.4 16.5 -6.6 87 140 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.857 109.1 54.9 -70.3 -33.6 -3.4 18.2 -8.4 88 141 A L H X S+ 0 0 2 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.929 109.5 48.3 -60.1 -42.1 -4.0 20.6 -5.4 89 142 A D H X S+ 0 0 63 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.909 111.2 50.2 -62.0 -43.5 -0.3 21.6 -5.8 90 143 A V H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.8 0.956 109.4 50.7 -55.4 -52.1 -0.8 22.1 -9.6 91 144 A L H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.874 102.4 61.5 -59.1 -36.2 -3.9 24.3 -9.0 92 145 A K H 3< S+ 0 0 133 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.784 104.7 49.3 -58.3 -29.7 -2.0 26.4 -6.5 93 146 A T H << S+ 0 0 73 -3,-1.5 -1,-0.2 -4,-0.8 2,-0.2 0.657 91.0 97.1 -87.2 -17.7 0.4 27.4 -9.3 94 147 A M S << S- 0 0 0 -3,-0.9 2,-1.5 -4,-0.8 -45,-0.0 -0.497 75.5-129.2 -81.1 138.9 -2.2 28.4 -11.9 95 148 A K - 0 0 148 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.716 41.6-176.4 -84.6 88.6 -3.2 32.0 -12.5 96 149 A I - 0 0 8 -2,-1.5 2,-0.2 -5,-0.2 41,-0.0 -0.813 10.3-151.5 -98.0 126.9 -6.9 31.1 -12.3 97 150 A H >> - 0 0 75 -2,-0.5 4,-1.6 1,-0.1 3,-0.5 -0.558 30.1-104.2 -95.4 160.3 -9.4 33.8 -12.9 98 151 A K H 3> S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.895 120.2 54.1 -43.7 -50.3 -12.9 34.3 -11.5 99 152 A E H 3> S+ 0 0 114 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.855 103.9 53.9 -58.0 -41.5 -14.4 33.2 -14.9 100 153 A H H <> S+ 0 0 40 -3,-0.5 4,-1.6 1,-0.2 6,-0.3 0.847 110.9 47.3 -61.8 -37.7 -12.4 29.9 -15.0 101 154 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 -3,-0.5 6,-0.3 0.921 111.5 50.8 -68.5 -45.4 -13.8 29.0 -11.5 102 155 A V H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.949 115.1 40.9 -59.0 -51.3 -17.4 29.9 -12.5 103 156 A T H < S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 124.0 36.4 -69.9 -34.9 -17.4 27.8 -15.7 104 157 A S H < S- 0 0 9 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.823 84.0-149.5 -87.5 -35.0 -15.5 24.7 -14.3 105 158 A G >X + 0 0 4 -4,-2.8 3,-1.6 -5,-0.2 4,-0.7 0.672 47.6 143.2 64.1 20.1 -16.9 24.7 -10.7 106 159 A V H 3> + 0 0 0 -6,-0.3 4,-2.2 1,-0.3 3,-0.4 0.804 60.2 73.0 -56.6 -30.1 -13.6 23.2 -9.6 107 160 A G H 3> S+ 0 0 0 -6,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.810 89.8 59.6 -48.5 -34.7 -14.1 25.3 -6.4 108 161 A K H <> S+ 0 0 54 -3,-1.6 4,-1.7 38,-0.4 -1,-0.2 0.909 108.5 39.9 -70.0 -41.4 -16.8 22.9 -5.3 109 162 A I H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.918 116.0 51.6 -73.5 -41.3 -14.6 19.8 -5.2 110 163 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 108.6 51.5 -60.2 -41.8 -11.7 21.8 -3.7 111 164 A Y H X S+ 0 0 71 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.925 107.1 53.3 -61.9 -42.3 -14.0 23.1 -1.0 112 165 A F H >X S+ 0 0 6 -4,-1.7 3,-1.1 1,-0.2 4,-1.1 0.945 106.7 52.2 -54.7 -48.9 -15.1 19.6 -0.1 113 166 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.888 105.5 57.1 -51.8 -39.8 -11.5 18.5 0.3 114 167 A S H 3< S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 117.7 31.2 -69.3 -21.4 -11.0 21.5 2.7 115 168 A I H << S+ 0 0 46 -3,-1.1 -1,-0.2 -4,-1.1 -2,-0.2 0.344 85.5 121.3-115.9 4.9 -13.8 20.2 4.9 116 169 A N X< - 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