==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING 04-JUN-97 1ALW . COMPND 2 MOLECULE: CALPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.V.L.NARAYANA,G.LIN . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 73.4 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 . 14 4.0 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 . 2 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 1 1 2 0 5 3 0 0 0 0 0 0 1 0 3 0 0 0 0 0 0 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 94 A E > 0 0 184 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.1 14.4 -48.0 18.3 2 95 A E T 4 + 0 0 158 2,-0.2 4,-0.1 1,-0.1 0, 0.0 0.552 360.0 39.6 -91.6 -10.5 14.6 -47.5 22.0 3 96 A V T > S+ 0 0 73 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.538 100.4 72.1-110.4 -14.4 12.2 -44.7 21.5 4 97 A R H > S+ 0 0 153 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.924 105.6 42.7 -63.1 -41.7 10.2 -46.5 18.9 5 98 A Q H X S+ 0 0 98 -4,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.745 112.0 53.7 -72.9 -32.2 9.0 -48.5 21.8 6 99 A F H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.730 104.4 53.2 -78.4 -27.0 8.6 -45.5 24.0 7 100 A R H X S+ 0 0 153 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.893 107.7 52.3 -72.8 -38.8 6.4 -43.6 21.7 8 101 A R H X S+ 0 0 147 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.696 109.9 50.5 -66.9 -23.8 4.1 -46.6 21.4 9 102 A L H X S+ 0 0 35 -4,-0.6 4,-2.3 2,-0.2 5,-0.2 0.922 111.8 43.8 -79.7 -49.4 3.8 -46.7 25.2 10 103 A F H X S+ 0 0 23 -4,-1.8 4,-4.2 1,-0.2 5,-0.4 0.956 115.1 49.0 -59.9 -50.1 3.0 -43.2 25.8 11 104 A A H X S+ 0 0 64 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.873 112.7 48.4 -55.0 -42.8 0.5 -43.1 23.0 12 105 A Q H < S+ 0 0 149 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 121.2 36.8 -65.5 -37.6 -1.1 -46.3 24.2 13 106 A L H < S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.898 113.1 53.1 -82.6 -47.1 -1.3 -44.9 27.8 14 107 A A H ><>S+ 0 0 1 -4,-4.2 5,-0.8 -5,-0.2 3,-0.6 0.810 85.5 174.5 -60.5 -38.2 -2.0 -41.2 27.2 15 108 A G G ><5 - 0 0 35 -4,-1.4 3,-1.7 -5,-0.4 -1,-0.2 -0.216 47.5 -5.7 72.0-152.8 -5.1 -41.9 25.0 16 109 A D G 3 5S+ 0 0 174 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.714 133.9 45.0 -51.1 -42.1 -7.6 -39.5 23.5 17 110 A D G < 5S- 0 0 71 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.427 104.0-127.3 -89.7 2.3 -6.4 -36.4 25.1 18 111 A M T < 5S+ 0 0 143 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.678 75.9 97.2 62.6 22.7 -2.8 -37.1 24.4 19 112 A E S - 0 0 4 -2,-0.6 4,-2.5 42,-0.2 3,-0.4 -0.417 38.6 -93.4 -91.8 177.0 -3.2 -38.0 34.0 22 115 A A H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.906 126.1 49.8 -58.9 -40.4 -2.9 -39.1 37.5 23 116 A T H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.825 110.6 48.5 -68.7 -32.1 -5.3 -41.9 37.0 24 117 A E H > S+ 0 0 44 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.877 114.1 48.0 -71.6 -39.2 -3.6 -43.1 33.9 25 118 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.924 108.6 53.8 -66.0 -46.4 -0.3 -43.0 35.7 26 119 A M H X S+ 0 0 46 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.944 108.6 49.7 -54.8 -49.1 -1.7 -44.8 38.7 27 120 A N H X S+ 0 0 98 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.859 112.4 44.4 -58.0 -45.6 -2.9 -47.7 36.6 28 121 A I H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.888 113.1 51.7 -68.1 -40.9 0.3 -48.3 34.7 29 122 A L H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.835 111.7 46.3 -65.5 -36.3 2.4 -48.0 37.8 30 123 A N H X S+ 0 0 45 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.733 112.3 52.8 -78.1 -21.1 0.3 -50.5 39.6 31 124 A K H < S+ 0 0 100 -4,-1.1 3,-0.3 -5,-0.2 4,-0.3 0.923 113.7 39.5 -77.8 -47.4 0.3 -52.8 36.6 32 125 A V H >< S+ 0 0 22 -4,-2.6 3,-3.2 1,-0.2 -2,-0.2 0.958 106.4 61.8 -68.8 -48.8 4.1 -52.9 36.2 33 126 A V H >< S+ 0 0 12 -4,-1.6 3,-1.4 1,-0.3 6,-0.3 0.770 96.4 62.7 -50.0 -27.3 5.1 -53.1 39.8 34 127 A T T 3< S+ 0 0 111 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 93.9 62.1 -71.9 -18.6 3.2 -56.4 40.1 35 128 A R T < S+ 0 0 149 -3,-3.2 -1,-0.3 -4,-0.3 -2,-0.2 0.159 98.0 65.3 -92.7 19.3 5.6 -57.9 37.6 36 129 A H X + 0 0 55 -3,-1.4 3,-1.3 3,-0.2 -1,-0.2 -0.782 56.9 178.6-145.0 91.3 8.4 -57.2 40.0 37 130 A P T 3 S+ 0 0 122 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.315 76.2 74.1 -76.4 4.4 8.2 -59.2 43.3 38 131 A D T 3 S+ 0 0 74 1,-0.1 2,-0.6 2,-0.0 54,-0.0 0.489 85.8 72.6 -93.0 -6.1 11.4 -57.7 44.5 39 132 A L S < S- 0 0 11 -3,-1.3 2,-0.3 -6,-0.3 -3,-0.2 -0.934 72.4-156.0-115.2 107.3 9.6 -54.4 45.2 40 133 A K + 0 0 124 52,-2.3 91,-2.8 -2,-0.6 2,-0.3 -0.672 28.2 150.6 -82.0 138.7 7.3 -54.4 48.1 41 134 A T - 0 0 40 -2,-0.3 3,-0.1 89,-0.2 -2,-0.0 -0.984 51.7-137.6-162.7 155.5 4.5 -51.9 48.0 42 135 A D S S- 0 0 101 1,-0.4 2,-0.1 -2,-0.3 -2,-0.0 0.280 74.5 -85.1 -99.4 10.7 1.1 -51.3 49.2 43 136 A G - 0 0 22 -14,-0.1 2,-0.8 2,-0.1 -1,-0.4 -0.114 42.6 -79.3 104.1 152.7 0.2 -49.9 45.8 44 137 A F - 0 0 6 -18,-0.2 2,-0.1 -3,-0.1 -14,-0.1 -0.858 54.5-153.5 -90.4 115.8 0.5 -46.5 44.2 45 138 A G > - 0 0 27 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.448 22.7-108.7 -88.0 167.0 -2.4 -44.5 45.5 46 139 A I H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.754 114.3 52.6 -66.9 -28.6 -4.3 -41.7 43.8 47 140 A D H > S+ 0 0 26 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.883 110.8 47.3 -75.7 -37.2 -3.0 -39.0 46.1 48 141 A T H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 113.4 47.2 -68.9 -40.0 0.5 -39.9 45.5 49 142 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.864 109.0 55.4 -69.1 -32.1 0.1 -40.1 41.8 50 143 A R H X S+ 0 0 40 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.817 109.2 48.3 -67.2 -28.7 -1.6 -36.8 41.9 51 144 A S H X S+ 0 0 19 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.868 108.8 52.4 -77.6 -38.0 1.4 -35.5 43.6 52 145 A M H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.908 110.8 47.2 -64.1 -43.7 3.7 -37.0 41.1 53 146 A V H X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.915 109.6 53.5 -64.2 -42.8 1.9 -35.4 38.2 54 147 A A H < S+ 0 0 4 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.891 110.2 46.5 -59.0 -44.3 1.7 -32.0 39.8 55 148 A V H < S+ 0 0 25 -4,-1.9 -1,-0.2 118,-0.3 -2,-0.2 0.840 116.3 43.7 -71.6 -29.4 5.4 -31.9 40.4 56 149 A M H < S+ 0 0 10 -4,-1.6 2,-1.6 -5,-0.2 -1,-0.2 0.550 87.2 100.0 -90.4 -9.9 6.3 -33.0 36.9 57 150 A D >< + 0 0 7 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.1 -0.598 39.3 161.2 -82.3 87.7 3.8 -30.8 35.1 58 151 A S T 3 S+ 0 0 102 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.708 70.7 53.3 -80.4 -20.5 6.0 -28.0 34.0 59 152 A D T 3 S- 0 0 79 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.416 103.2-126.1 -97.2 6.5 3.6 -26.7 31.4 60 153 A T < + 0 0 81 -3,-0.6 -2,-0.1 -6,-0.1 -6,-0.0 0.889 69.6 129.4 51.3 46.9 0.7 -26.4 33.8 61 154 A T S S- 0 0 59 2,-0.4 -1,-0.1 233,-0.0 3,-0.1 0.474 76.6-118.5-100.2 -9.8 -1.7 -28.5 31.6 62 155 A G S S+ 0 0 17 1,-0.2 2,-0.3 -9,-0.1 -5,-0.1 0.181 86.7 65.2 91.6 -16.0 -2.6 -30.6 34.6 63 156 A K S S- 0 0 42 -42,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.828 88.4 -91.0-133.9 172.1 -1.2 -33.7 32.9 64 157 A L B -A 20 0A 0 -44,-2.9 -44,-2.7 -2,-0.3 -7,-0.1 -0.758 35.0-167.5 -92.3 118.7 1.9 -35.3 31.6 65 158 A G > - 0 0 13 -2,-0.6 4,-2.5 -46,-0.2 5,-0.2 -0.051 44.7 -82.3 -84.3-166.1 2.9 -34.7 28.0 66 159 A F H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.934 129.6 43.0 -67.0 -45.9 5.6 -36.7 26.1 67 160 A E H > S+ 0 0 138 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.823 118.3 45.3 -69.1 -34.9 8.5 -34.6 27.4 68 161 A E H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.916 115.4 46.0 -75.4 -45.1 7.2 -34.6 31.0 69 162 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.815 109.6 56.0 -68.4 -30.0 6.3 -38.2 31.1 70 163 A K H X S+ 0 0 52 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.885 106.2 48.2 -69.6 -40.8 9.6 -39.2 29.6 71 164 A Y H X S+ 0 0 91 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.945 114.8 47.9 -65.1 -42.0 11.7 -37.6 32.2 72 165 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 3,-0.2 0.943 111.9 47.5 -62.2 -50.8 9.5 -39.2 34.8 73 166 A W H X S+ 0 0 29 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.859 109.1 54.0 -60.3 -39.4 9.7 -42.6 33.4 74 167 A N H X S+ 0 0 81 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.863 108.8 48.7 -61.8 -43.2 13.4 -42.5 32.9 75 168 A N H X S+ 0 0 16 -4,-1.7 4,-3.4 -3,-0.2 5,-0.3 0.917 109.5 51.9 -62.3 -47.8 14.0 -41.7 36.5 76 169 A I H X S+ 0 0 15 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.822 108.6 50.9 -59.0 -36.3 11.8 -44.4 37.8 77 170 A K H X S+ 0 0 103 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.879 116.7 42.2 -67.7 -37.6 13.6 -46.9 35.6 78 171 A K H X S+ 0 0 92 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.835 116.0 46.5 -76.6 -39.2 16.8 -45.7 37.1 79 172 A W H X S+ 0 0 3 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.703 106.9 59.1 -77.4 -21.7 15.5 -45.4 40.7 80 173 A Q H X S+ 0 0 35 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.889 104.9 50.0 -72.1 -37.9 14.0 -48.8 40.5 81 174 A A H X S+ 0 0 53 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.702 110.5 49.6 -71.0 -26.9 17.4 -50.3 39.7 82 175 A I H X S+ 0 0 12 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.796 104.9 58.5 -77.8 -38.2 19.0 -48.5 42.7 83 176 A Y H X S+ 0 0 0 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.905 109.2 44.5 -57.2 -46.7 16.3 -49.6 45.0 84 177 A K H < S+ 0 0 73 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.787 111.8 51.9 -69.9 -34.3 17.0 -53.2 44.3 85 178 A Q H < S+ 0 0 141 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.7 41.2 -71.2 -42.9 20.8 -52.9 44.5 86 179 A F H < S+ 0 0 57 -4,-2.3 2,-2.3 1,-0.2 3,-0.2 0.540 86.5 93.1 -86.7 -4.7 20.7 -51.2 47.9 87 180 A D >< + 0 0 10 -4,-0.7 3,-2.0 1,-0.2 -1,-0.2 -0.455 54.1 168.3 -83.7 68.4 18.1 -53.4 49.4 88 181 A V T 3 + 0 0 107 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.864 67.8 51.2 -53.6 -43.8 20.8 -55.6 50.8 89 182 A D T 3 S- 0 0 101 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.374 102.4-131.4 -78.8 11.1 18.7 -57.7 53.1 90 183 A R < + 0 0 221 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.827 61.2 141.9 42.2 41.8 16.3 -58.3 50.3 91 184 A S S S- 0 0 47 2,-0.4 -1,-0.2 -51,-0.0 3,-0.1 0.748 70.9-116.7 -79.7 -21.2 13.5 -57.4 52.6 92 185 A G S S+ 0 0 9 1,-0.4 -52,-2.3 -5,-0.2 39,-0.3 0.532 88.0 75.5 94.7 9.4 11.9 -55.8 49.6 93 186 A T S S- 0 0 8 -54,-0.1 2,-0.6 37,-0.1 -2,-0.4 -0.965 84.1-107.3-147.6 158.1 12.1 -52.4 51.2 94 187 A I B -B 129 0B 1 35,-2.7 35,-2.5 -2,-0.3 -7,-0.1 -0.788 37.0-154.8 -95.1 120.6 14.7 -49.8 52.0 95 188 A G > - 0 0 6 -2,-0.6 4,-2.4 33,-0.2 33,-0.2 -0.319 31.9 -96.0 -88.8 175.6 15.7 -49.5 55.6 96 189 A S T 4 S+ 0 0 56 30,-0.3 -1,-0.1 1,-0.3 32,-0.1 0.860 127.4 43.3 -56.7 -38.2 17.2 -46.7 57.6 97 190 A S T 4 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.763 114.5 49.9 -79.7 -25.6 20.6 -48.0 57.1 98 191 A E T > S+ 0 0 11 1,-0.1 4,-1.1 -3,-0.1 3,-0.3 0.754 95.1 79.3 -82.4 -24.4 20.0 -48.7 53.5 99 192 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.846 85.6 48.8 -52.5 -54.5 18.6 -45.3 52.8 100 193 A P H > S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.833 109.3 53.2 -64.2 -32.9 21.6 -43.0 52.4 101 194 A G H > S+ 0 0 24 -3,-0.3 4,-1.3 -4,-0.3 -2,-0.2 0.826 108.1 50.2 -70.4 -33.4 23.5 -45.2 50.1 102 195 A A H X S+ 0 0 0 -4,-1.1 4,-0.8 -3,-0.5 -1,-0.2 0.825 113.6 45.4 -72.6 -34.0 20.6 -45.4 47.7 103 196 A F H X>S+ 0 0 0 -4,-1.7 5,-3.1 2,-0.2 4,-0.5 0.772 108.1 58.8 -77.8 -28.8 20.2 -41.7 47.7 104 197 A E H <5S+ 0 0 117 -4,-1.7 -2,-0.2 3,-0.2 3,-0.2 0.840 105.5 48.4 -67.2 -34.8 23.9 -41.3 47.3 105 198 A A H <5S+ 0 0 49 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.758 108.0 54.5 -75.0 -27.3 23.7 -43.4 44.1 106 199 A A H <5S- 0 0 13 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.613 126.1-105.4 -80.0 -12.0 20.9 -41.2 42.9 107 200 A G T <5S+ 0 0 48 -4,-0.5 2,-0.5 1,-0.3 -3,-0.2 0.587 75.8 128.8 102.0 13.3 23.1 -38.3 43.5 108 201 A F < - 0 0 22 -5,-3.1 2,-0.6 -8,-0.1 -1,-0.3 -0.893 34.3-169.3-109.1 132.8 21.8 -36.6 46.6 109 202 A H + 0 0 141 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.899 20.8 165.3-120.1 99.1 23.9 -35.8 49.6 110 203 A L - 0 0 23 -2,-0.6 2,-0.1 -10,-0.1 -7,-0.0 -0.774 32.9-109.4-111.6 159.7 21.8 -34.8 52.5 111 204 A N > - 0 0 69 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.353 32.8-102.1 -86.1 166.1 22.6 -34.4 56.2 112 205 A E H > S+ 0 0 174 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.850 118.7 55.2 -51.7 -45.1 21.5 -36.6 59.0 113 206 A H H >> S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.964 108.4 48.5 -55.6 -49.9 18.9 -34.3 60.2 114 207 A L H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.867 108.9 54.5 -58.4 -39.6 17.3 -34.2 56.8 115 208 A Y H 3X S+ 0 0 24 -4,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.838 104.6 53.9 -65.3 -32.0 17.4 -38.0 56.7 116 209 A S H - 0 0 63 4,-2.3 3,-0.6 -2,-0.1 -1,-0.1 -0.100 47.5 -72.3 -95.6-162.8 7.2 -47.3 58.7 125 218 A E T 3 S+ 0 0 169 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.879 135.6 42.0 -58.0 -42.1 7.3 -48.2 62.3 126 219 A G T 3 S- 0 0 60 2,-0.1 -1,-0.3 -31,-0.0 -30,-0.3 0.625 122.5-105.3 -80.9 -14.0 10.5 -50.1 61.8 127 220 A G S < S+ 0 0 6 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.660 72.9 138.5 98.7 17.4 12.0 -47.4 59.5 128 221 A N - 0 0 46 -33,-0.2 -4,-2.3 -32,-0.1 2,-0.5 -0.741 40.1-149.4 -98.5 146.8 11.6 -49.2 56.2 129 222 A M B -B 94 0B 0 -35,-2.5 -35,-2.7 -2,-0.3 -6,-0.1 -0.963 11.3-146.0-116.5 126.5 10.4 -47.5 53.0 130 223 A D > - 0 0 27 -2,-0.5 4,-1.9 -8,-0.4 -89,-0.2 -0.307 33.3 -90.9 -85.1 177.2 8.4 -49.4 50.4 131 224 A F H > S+ 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T <4 S+ 0 0 62 -3,-1.3 2,-0.4 -4,-0.2 9,-0.2 0.481 109.7 62.1-112.7 -11.0 15.6 -19.5 41.1 152 245 A D >< + 0 0 18 -4,-0.9 2,-1.9 7,-0.1 3,-1.5 -0.559 55.8 157.1-112.8 61.5 19.1 -19.4 42.3 153 246 A K T 3 + 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 -0.278 69.8 61.5 -84.4 54.9 20.8 -18.7 39.0 154 247 A D T 3 S- 0 0 86 -2,-1.9 -1,-0.3 -5,-0.1 -2,-0.0 0.354 102.1-122.9-149.4 -19.2 23.6 -17.3 41.0 155 248 A G S < S+ 0 0 67 -3,-1.5 -2,-0.1 -6,-0.1 -6,-0.0 0.710 72.5 124.8 75.1 21.5 24.9 -20.2 43.1 156 249 A T S S- 0 0 92 2,-0.2 3,-0.1 -4,-0.0 -3,-0.1 0.773 71.6-127.5 -83.4 -23.6 24.4 -18.4 46.4 157 250 A G S S+ 0 0 21 1,-0.3 180,-1.6 -5,-0.1 2,-0.3 0.762 75.6 93.0 81.1 33.8 22.2 -21.2 47.8 158 251 A Q E -C 336 0C 75 178,-0.2 2,-0.3 179,-0.1 -1,-0.3 -0.989 55.4-155.3-155.7 140.2 19.4 -18.8 48.8 159 252 A I E -C 335 0C 5 176,-2.6 176,-2.0 -2,-0.3 2,-0.5 -0.857 9.3-142.4-122.5 156.7 16.2 -17.7 47.2 160 253 A Q E +C 334 0C 115 -2,-0.3 2,-0.3 -9,-0.2 174,-0.2 -0.991 30.5 169.1-113.5 131.0 14.0 -14.6 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X S+ 0 0 141 -4,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.825 108.6 54.6 -66.0 -28.6 -8.5 -34.4 76.6 182 101 B R H X S+ 0 0 139 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.846 110.3 42.2 -72.2 -37.0 -10.7 -37.4 76.8 183 102 B L H >X S+ 0 0 45 -4,-1.1 4,-2.4 2,-0.2 3,-0.7 0.968 117.5 48.5 -72.6 -50.4 -10.8 -37.9 73.1 184 103 B F H 3X S+ 0 0 16 -4,-3.1 4,-3.4 1,-0.3 5,-0.3 0.916 108.8 50.6 -52.7 -54.7 -7.2 -37.2 72.7 185 104 B A H 3X S+ 0 0 68 -4,-2.8 4,-0.9 1,-0.3 -1,-0.3 0.769 113.9 47.8 -56.0 -28.1 -6.0 -39.5 75.5 186 105 B Q H << S+ 0 0 158 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.841 116.3 41.0 -80.5 -40.6 -8.0 -42.2 73.9 187 106 B L H < S+ 0 0 26 -4,-2.4 -2,-0.2 -3,-0.2 -3,-0.2 0.923 112.8 52.9 -73.0 -47.9 -6.8 -41.6 70.4 188 107 B A H ><>S+ 0 0 1 -4,-3.4 5,-0.8 -5,-0.2 3,-0.7 0.815 86.5 170.5 -57.3 -38.3 -3.2 -41.0 71.3 189 108 B G G ><5 + 0 0 32 -4,-0.9 3,-2.4 -5,-0.3 -1,-0.1 -0.138 49.6 2.0 65.4-151.4 -2.9 -44.2 73.2 190 109 B D G 3 5S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.667 135.1 39.7 -42.2 -38.6 0.3 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-10.6 -41.3 63.6 203 122 B L H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.831 114.1 45.8 -64.8 -34.6 -11.1 -39.1 60.6 204 123 B N H X S+ 0 0 44 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.3 0.782 108.5 56.7 -77.8 -28.7 -12.5 -42.1 58.7 205 124 B K H < S+ 0 0 117 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.851 112.1 43.4 -69.8 -30.2 -14.6 -43.0 61.7 206 125 B V H >< S+ 0 0 30 -4,-1.8 3,-1.5 2,-0.2 -2,-0.2 0.929 106.1 53.5 -83.5 -50.3 -16.2 -39.6 61.6 207 126 B V H >< S+ 0 0 18 -4,-1.9 3,-2.4 1,-0.3 6,-0.3 0.801 95.9 74.2 -56.6 -25.5 -17.0 -38.9 58.0 208 127 B T T 3< S+ 0 0 111 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.883 95.3 48.6 -54.9 -38.4 -18.8 -42.1 58.0 209 128 B R T < S+ 0 0 175 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.155 97.6 79.5 -89.1 21.1 -21.6 -40.6 59.9 210 129 B H X + 0 0 45 -3,-2.4 3,-1.6 3,-0.1 -1,-0.2 -0.783 52.0 176.6-128.6 86.6 -21.7 -37.6 57.6 211 130 B P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.610 76.6 66.0 -66.3 -14.6 -23.6 -38.6 54.5 212 131 B D T 3 S+ 0 0 63 -3,-0.1 2,-0.6 -5,-0.1 54,-0.1 0.481 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