==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-11 3U1N . COMPND 2 MOLECULE: SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.C.GOLDSTONE,V ENNIS-ADENIRAN,P.A.WALKER,L.F.HAIRE,M WEBB,I . 1720 17 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1181 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 7.2 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 74 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 264 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 639 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.1 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 8 8 12 4 4 0 0 0 4 8 4 8 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 . 14 4 0 0 8 0 4 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 . 4 6 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 1 118 A P 0 0 42 0, 0.0 2,-0.2 0, 0.0 1509,-0.2 0.000 360.0 360.0 360.0 113.7 -17.7 17.6 15.6 2 119 A G - 0 0 10 1507,-1.3 1349,-0.3 1347,-0.1 6,-0.2 -0.685 360.0 -27.7-147.9-154.8 -14.6 18.8 13.7 3 120 A D B > -A 7 0A 6 4,-1.9 4,-1.9 -2,-0.2 1506,-0.1 -0.524 56.4-135.9 -64.3 133.2 -11.0 17.9 13.3 4 121 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 1505,-0.1 0.514 101.7 37.7 -69.2 -4.6 -9.9 16.2 16.6 5 122 A I T 4 S+ 0 0 34 2,-0.2 -2,-0.0 1505,-0.0 1505,-0.0 0.692 132.6 19.7-116.6 -37.0 -6.7 18.2 16.6 6 123 A H T 4 S- 0 0 18 1,-0.3 2,-0.1 3,-0.0 -3,-0.0 0.414 92.9-147.4-114.9 -2.1 -7.6 21.6 15.3 7 124 A G B < -A 3 0A 29 -4,-1.9 -4,-1.9 -5,-0.1 2,-0.8 -0.359 62.5 -0.8 71.2-148.9 -11.4 21.5 15.9 8 125 A H S S- 0 0 162 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.1 -0.686 70.8-175.2 -81.2 115.4 -13.6 23.4 13.6 9 126 A I - 0 0 26 -2,-0.8 2,-0.4 2,-0.0 -2,-0.1 -0.921 8.1-163.3-103.3 135.0 -11.6 25.1 10.9 10 127 A E - 0 0 171 -2,-0.4 2,-0.2 46,-0.0 -2,-0.0 -0.973 16.6-158.9-114.1 136.3 -13.3 27.3 8.4 11 128 A L - 0 0 31 -2,-0.4 45,-0.0 1,-0.1 5,-0.0 -0.673 24.2 -86.0-116.0 166.5 -11.3 28.1 5.3 12 129 A H > - 0 0 60 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.401 40.7-117.1 -64.2 143.5 -11.2 30.7 2.5 13 130 A P H > S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.783 117.6 55.8 -54.4 -31.2 -13.5 30.0 -0.5 14 131 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.914 106.7 49.9 -66.5 -42.9 -10.4 29.6 -2.7 15 132 A L H > S+ 0 0 0 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.906 109.5 50.5 -63.8 -41.9 -9.0 27.0 -0.3 16 133 A V H X S+ 0 0 56 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.883 105.8 56.5 -64.5 -35.5 -12.3 25.1 -0.5 17 134 A R H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 108.9 46.8 -61.3 -45.9 -12.2 25.2 -4.3 18 135 A I H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.8 48.5 -57.2 -40.7 -8.8 23.5 -4.3 19 136 A I H < S+ 0 0 13 -4,-1.8 2,-2.4 1,-0.2 6,-0.3 0.898 96.2 67.8 -72.3 -42.4 -10.1 21.0 -1.8 20 137 A D S < S+ 0 0 42 -4,-2.8 -1,-0.2 -5,-0.1 1615,-0.1 -0.445 86.6 103.9 -82.3 73.5 -13.3 20.0 -3.5 21 138 A T S > S- 0 0 1 -2,-2.4 4,-3.5 -3,-0.1 3,-0.5 -0.987 78.7-124.1-159.2 140.1 -11.4 18.4 -6.3 22 139 A P H > S+ 0 0 15 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.872 110.7 57.6 -67.9 -35.7 -10.5 14.8 -7.3 23 140 A Q H 4 S+ 0 0 14 2,-0.2 4,-0.2 1,-0.2 104,-0.1 0.775 117.1 36.2 -62.4 -27.3 -6.7 15.5 -7.3 24 141 A F H >4 S+ 0 0 0 -3,-0.5 3,-2.4 -6,-0.2 -1,-0.2 0.894 110.5 57.6 -92.1 -47.9 -7.1 16.6 -3.7 25 142 A Q H >< S+ 0 0 4 -4,-3.5 3,-2.2 -6,-0.3 4,-0.2 0.698 88.4 82.7 -49.8 -21.0 -9.8 14.1 -2.6 26 143 A R G >< S+ 0 0 2 -4,-1.2 3,-1.9 1,-0.3 -1,-0.3 0.854 77.7 68.0 -52.1 -35.1 -7.2 11.5 -3.8 27 144 A L G X S+ 0 0 0 -3,-2.4 21,-1.6 1,-0.3 3,-0.9 0.545 78.3 77.4 -69.3 -5.7 -5.6 11.9 -0.4 28 145 A R G < S+ 0 0 11 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.661 97.0 50.3 -73.8 -11.9 -8.6 10.3 1.4 29 146 A Y G < S+ 0 0 26 -3,-1.9 273,-2.6 -4,-0.2 2,-0.4 -0.123 87.4 88.8-121.9 36.8 -7.1 7.0 0.2 30 147 A I S < S- 0 0 0 -3,-0.9 17,-1.7 271,-0.2 18,-0.2 -0.910 74.1-131.8-133.4 103.1 -3.5 7.2 1.2 31 148 A K B > -B 46 0B 20 -2,-0.4 3,-1.1 15,-0.2 15,-0.3 -0.325 14.0-139.9 -54.1 129.3 -2.7 5.8 4.8 32 149 A Q T 3 S+ 0 0 3 13,-2.7 66,-0.4 1,-0.3 -1,-0.1 0.944 101.6 29.9 -58.3 -52.2 -0.6 8.4 6.5 33 150 A L T > S- 0 0 31 12,-0.4 3,-2.2 1,-0.3 -1,-0.3 0.123 98.1-155.2 -95.8 20.0 1.7 5.9 8.2 34 151 A G G X S+ 0 0 2 -3,-1.1 3,-1.5 1,-0.3 -1,-0.3 -0.152 76.9 13.5 47.2-119.5 1.3 3.4 5.4 35 152 A G G 3 S+ 0 0 0 61,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.356 107.5 90.9 -71.7 5.5 1.9 -0.1 6.6 36 153 A G G X> S+ 0 0 8 -3,-2.2 3,-3.0 1,-0.2 4,-2.8 0.884 72.5 68.8 -65.1 -43.1 1.8 1.2 10.2 37 154 A Y T <4 S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 92.0 59.8 -43.7 -38.4 -2.0 0.5 10.2 38 155 A Y T 34 S+ 0 0 11 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.448 117.5 30.9 -80.2 4.4 -1.2 -3.3 10.2 39 156 A V T <4 S+ 0 0 34 -3,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.583 122.9 44.2-126.7 -32.2 0.7 -2.9 13.4 40 157 A F >< - 0 0 7 -4,-2.8 3,-1.6 1,-0.1 -1,-0.2 -0.900 65.0-160.6-117.7 107.4 -1.1 -0.0 15.2 41 158 A P T 3 S+ 0 0 23 0, 0.0 1317,-0.2 0, 0.0 -1,-0.1 0.759 90.1 59.0 -55.9 -29.8 -4.9 -0.3 15.0 42 159 A G T 3 S+ 0 0 2 1269,-0.3 2,-2.7 1,-0.2 3,-0.2 0.851 81.8 86.1 -67.0 -34.6 -5.3 3.3 15.9 43 160 A A < + 0 0 2 -3,-1.6 -10,-0.2 1,-0.2 -6,-0.2 -0.310 45.6 124.9 -77.0 66.5 -3.3 4.6 12.9 44 161 A S + 0 0 0 -2,-2.7 -1,-0.2 -13,-0.1 -2,-0.1 0.341 37.4 123.4-104.3 4.1 -6.1 4.6 10.3 45 162 A H - 0 0 0 -3,-0.2 -13,-2.7 151,-0.1 -12,-0.4 -0.296 46.8-149.2 -71.1 151.8 -5.6 8.3 9.3 46 163 A N B > -B 31 0B 3 -15,-0.3 4,-1.2 -14,-0.1 3,-0.3 -0.641 29.3-103.1-116.3 174.1 -5.0 9.4 5.8 47 164 A R H > S+ 0 0 10 -17,-1.7 4,-2.9 -20,-0.5 -19,-0.2 0.673 109.4 73.4 -72.9 -15.9 -3.1 12.3 4.2 48 165 A F H > S+ 0 0 8 -21,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.966 100.8 39.3 -64.7 -53.5 -6.3 14.2 3.5 49 166 A E H > S+ 0 0 2 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.953 116.9 52.7 -61.5 -46.0 -7.0 15.2 7.1 50 167 A H H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.908 107.2 52.0 -51.6 -48.4 -3.3 15.8 7.6 51 168 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.937 107.8 51.1 -58.7 -48.3 -3.1 18.1 4.6 52 169 A L H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.909 108.9 53.2 -51.6 -47.3 -6.1 20.2 5.9 53 170 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.921 109.1 46.7 -54.9 -48.7 -4.3 20.5 9.2 54 171 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 33,-0.2 0.875 111.5 52.4 -65.2 -38.1 -1.1 21.8 7.7 55 172 A G H X S+ 0 0 2 -4,-2.4 4,-1.8 31,-0.4 -1,-0.2 0.952 113.1 43.9 -58.2 -50.5 -3.0 24.2 5.5 56 173 A Y H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 115.8 47.4 -63.9 -41.9 -4.8 25.6 8.5 57 174 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.910 105.7 57.7 -68.7 -42.3 -1.7 25.7 10.6 58 175 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.934 109.1 48.3 -49.8 -49.4 0.3 27.5 7.9 59 176 A G H X S+ 0 0 6 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.931 107.2 54.1 -56.7 -52.7 -2.3 30.2 8.0 60 177 A C H X S+ 0 0 42 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.923 112.1 44.0 -48.5 -52.6 -2.3 30.6 11.7 61 178 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.962 116.1 44.6 -62.4 -52.9 1.4 31.1 11.8 62 179 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 114.0 50.0 -58.6 -45.3 1.6 33.6 8.9 63 180 A H H X S+ 0 0 106 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.865 111.8 48.8 -64.7 -34.1 -1.3 35.5 10.0 64 181 A A H X S+ 0 0 30 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.934 108.1 51.8 -71.9 -47.9 0.1 35.8 13.6 65 182 A L H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.917 110.1 54.6 -49.0 -43.3 3.5 37.0 12.3 66 183 A G H < S+ 0 0 11 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.932 108.9 43.3 -57.5 -52.5 1.6 39.6 10.4 67 184 A E H < S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.0 47.3 -66.4 -42.8 -0.4 41.1 13.3 68 185 A K H < S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 124.9 29.9 -65.0 -34.7 2.6 41.2 15.7 69 186 A Q >< + 0 0 0 -4,-2.0 3,-1.7 -5,-0.3 5,-0.3 -0.654 57.8 168.1-132.2 79.9 4.9 42.8 13.0 70 187 A P G > S+ 0 0 97 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.768 75.1 74.5 -62.0 -23.7 3.2 45.0 10.4 71 188 A E G 3 S+ 0 0 119 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.750 82.4 66.9 -61.6 -27.0 6.6 46.2 9.4 72 189 A L G < S- 0 0 17 -3,-1.7 -1,-0.3 -7,-0.2 -6,-0.1 0.607 100.8-139.3 -65.9 -12.4 7.2 42.8 7.6 73 190 A Q < - 0 0 69 -3,-2.1 2,-0.6 -4,-0.2 -2,-0.1 0.919 29.3-178.8 48.3 54.7 4.4 43.9 5.2 74 191 A I - 0 0 31 -5,-0.3 -1,-0.2 -8,-0.1 2,-0.1 -0.770 14.4-149.4 -84.1 118.9 2.7 40.5 5.0 75 192 A S > - 0 0 45 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.396 28.0-112.4 -91.9 162.8 -0.2 40.8 2.6 76 193 A E H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.773 124.1 52.6 -57.7 -25.2 -3.7 39.0 2.4 77 194 A R H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 104.4 52.0 -76.6 -46.9 -2.1 37.6 -0.8 78 195 A D H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.867 110.0 51.2 -57.0 -39.2 1.0 36.3 1.0 79 196 A V H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.956 107.2 51.0 -65.5 -50.2 -1.2 34.5 3.5 80 197 A L H X S+ 0 0 8 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.880 109.7 51.8 -56.2 -41.2 -3.3 32.8 0.9 81 198 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.948 108.8 48.4 -61.1 -49.2 -0.3 31.5 -0.9 82 199 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.923 111.4 51.9 -59.8 -42.9 1.3 30.0 2.3 83 200 A Q H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.952 109.7 47.8 -57.0 -51.9 -2.0 28.4 3.1 84 201 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.879 110.7 52.8 -55.6 -40.8 -2.3 26.8 -0.4 85 202 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 3,-0.4 0.947 111.7 44.3 -60.6 -47.4 1.3 25.5 -0.2 86 203 A G H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -31,-0.4 0.880 113.4 53.9 -62.2 -36.1 0.6 23.9 3.2 87 204 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.794 118.7 31.7 -68.1 -29.5 -2.6 22.5 1.7 88 205 A C H >< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.4 4,-0.3 0.279 82.4 105.0-115.6 5.5 -0.8 20.9 -1.3 89 206 A H T 3< S+ 0 0 11 -4,-0.8 3,-0.2 -3,-0.5 31,-0.2 0.726 88.8 42.0 -65.9 -18.8 2.5 19.9 -0.0 90 207 A D T > S+ 0 0 5 -4,-0.2 3,-1.7 -3,-0.2 -1,-0.3 0.278 76.5 109.8-114.0 13.0 1.5 16.3 0.1 91 208 A L T < S+ 0 0 0 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.793 77.2 57.3 -55.5 -33.3 -0.4 16.0 -3.2 92 209 A G T 3 S+ 0 0 0 24,-0.3 -1,-0.3 -4,-0.3 27,-0.1 0.446 72.8 119.7 -83.5 -4.1 2.3 13.8 -4.6 93 210 A H < - 0 0 1 -3,-1.7 3,-0.1 26,-0.1 5,-0.1 -0.387 49.6-155.6 -61.3 141.2 2.4 11.0 -2.0 94 211 A G B > -C 97 0C 2 3,-0.5 3,-1.3 1,-0.2 6,-0.2 -0.469 46.4 -28.1-110.3-174.1 1.6 7.7 -3.7 95 212 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 -0.025 133.1 0.8 -43.0 123.8 0.2 4.4 -2.3 96 213 A F T > S- 0 0 4 -67,-0.2 3,-1.8 3,-0.1 -61,-0.3 0.814 105.1-112.7 63.3 33.5 1.0 4.1 1.5 97 214 A S B X> S+C 94 0C 1 -3,-1.3 3,-1.7 1,-0.3 4,-0.7 -0.143 93.6 15.9 52.5-119.3 2.9 7.4 1.6 98 215 A H H 3> S+ 0 0 109 -66,-0.4 4,-1.2 1,-0.3 -1,-0.3 0.598 114.1 72.5 -68.7 -12.0 6.6 7.2 2.2 99 216 A X H <>>S+ 0 0 13 -3,-1.8 5,-1.8 3,-0.2 4,-1.2 0.837 97.7 51.7 -69.8 -25.2 6.8 3.5 1.3 100 217 A F H <4>S+ 0 0 1 -3,-1.7 5,-2.2 -6,-0.2 -2,-0.2 0.874 118.8 26.4 -87.2 -46.2 6.2 4.4 -2.3 101 218 A D H <5S+ 0 0 8 -4,-0.7 13,-0.2 3,-0.2 -1,-0.1 0.752 124.4 53.7 -88.2 -24.4 8.8 7.1 -3.2 102 219 A G H <5S- 0 0 18 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.769 132.2 -5.5 -77.5 -29.8 11.2 5.8 -0.5 103 220 A R T X5S+ 0 0 28 -4,-1.2 4,-1.5 -5,-0.2 5,-0.2 0.620 123.8 54.7-135.2 -47.3 11.4 2.1 -1.5 104 221 A F H >>< + 0 0 43 -4,-3.0 3,-0.9 -5,-0.3 -1,-0.2 -0.650 66.9 172.1-139.4 77.7 12.9 2.0 -11.5 110 227 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 241,-0.1 0.731 75.2 61.5 -65.2 -22.2 16.3 2.6 -10.0 111 228 A E T 3 S+ 0 0 149 2,-0.1 2,-0.4 238,-0.0 238,-0.1 0.838 89.3 82.0 -71.8 -34.6 17.4 4.9 -12.8 112 229 A V S < S- 0 0 43 -3,-0.9 2,-0.9 -7,-0.2 -3,-0.1 -0.604 71.0-141.6 -85.0 128.0 14.7 7.6 -12.2 113 230 A K + 0 0 80 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.747 35.3 167.1 -83.3 102.7 15.1 10.2 -9.5 114 231 A W + 0 0 16 -2,-0.9 2,-0.3 -13,-0.2 -9,-0.1 -0.979 12.7 174.4-128.9 130.2 11.6 10.6 -8.0 115 232 A T > - 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0 0 23 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.881 54.9-109.9-111.1 142.3 1.5 36.3 34.7 642 326 B Q - 0 0 114 -2,-0.4 2,-0.5 2,-0.0 -5,-0.0 -0.578 32.6-168.9 -71.0 126.0 1.9 33.4 32.3 643 327 B N + 0 0 40 -2,-0.4 35,-0.1 1,-0.1 34,-0.1 -0.948 14.0 171.7-120.9 112.8 2.5 30.2 34.2 644 328 B N + 0 0 42 -2,-0.5 2,-0.2 33,-0.5 34,-0.2 0.426 40.4 112.2-103.0 0.1 3.5 27.3 32.1 645 329 B F - 0 0 12 32,-0.4 2,-0.6 33,-0.1 30,-0.1 -0.534 52.3-156.0 -73.0 138.4 4.5 24.7 34.7 646 330 B D > - 0 0 66 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 -0.837 13.9-179.5-120.9 95.6 2.1 21.8 34.8 647 331 B Y H > S+ 0 0 24 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.803 79.9 61.4 -68.1 -26.9 2.2 20.2 38.2 648 332 B K H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 106.8 44.9 -63.6 -46.9 -0.3 17.5 37.3 649 333 B R H > S+ 0 0 24 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 114.2 50.6 -58.2 -46.5 1.9 16.1 34.5 650 334 B F H < S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.1 48.7 -61.2 -42.5 4.8 16.3 37.0 651 335 B I H >< S+ 0 0 16 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.898 108.1 55.0 -64.8 -40.3 2.9 14.4 39.6 652 336 B K H 3< S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 114.0 40.4 -61.6 -35.5 1.9 11.8 37.2 653 337 B F T 3< S+ 0 0 51 -4,-1.7 15,-1.3 -5,-0.1 -1,-0.3 0.192 91.2 116.4-102.3 17.9 5.5 11.1 36.2 654 338 B A E < +M 667 0J 1 -3,-1.3 2,-0.3 13,-0.2 13,-0.2 -0.573 36.2 169.2 -85.9 150.0 7.0 11.3 39.7 655 339 B R E -M 666 0J 45 11,-2.2 11,-3.8 -2,-0.2 2,-0.4 -0.983 32.9-115.7-152.0 160.1 8.7 8.4 41.5 656 340 B V E +M 665 0J 1 -2,-0.3 2,-0.3 9,-0.3 177,-0.3 -0.801 42.8 159.8 -95.1 140.6 10.8 7.6 44.5 657 341 B b E -M 664 0J 1 7,-2.7 7,-2.0 -2,-0.4 177,-0.2 -0.984 42.8 -85.4-163.3 154.1 14.3 6.2 43.9 658 342 B E E +Mn 663 834J 46 175,-1.4 177,-1.3 -2,-0.3 2,-0.4 -0.361 37.2 174.7 -64.1 125.0 17.8 5.7 45.5 659 343 B V S S- 0 0 35 3,-2.5 -1,-0.1 -2,-0.2 175,-0.0 -0.838 79.5 -21.0-133.7 97.2 20.2 8.7 45.3 660 344 B D S S- 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.978 126.4 -53.0 63.5 59.8 23.4 8.0 47.3 661 345 B N S S+ 0 0 102 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.756 120.8 112.8 40.7 32.6 21.7 5.3 49.3 662 346 B E S S- 0 0 32 -5,-0.1 -3,-2.5 -53,-0.0 2,-0.5 -0.995 71.2-121.5-130.7 128.2 19.0 7.8 50.2 663 347 B L E +M 658 0J 56 -2,-0.4 2,-0.3 -55,-0.3 -5,-0.2 -0.514 42.7 166.8 -68.3 116.9 15.3 7.7 49.1 664 348 B R E -M 657 0J 71 -7,-2.0 -7,-2.7 -2,-0.5 2,-0.7 -0.871 41.8-106.2-129.6 162.9 14.3 10.8 47.1 665 349 B I E -M 656 0J 26 -2,-0.3 160,-0.4 -9,-0.2 -9,-0.3 -0.815 45.2-173.1 -87.2 115.7 11.5 11.9 44.8 666 350 B b E -M 655 0J 1 -11,-3.8 -11,-2.2 -2,-0.7 2,-0.4 -0.726 16.3-134.3-110.9 163.3 12.8 11.9 41.2 667 351 B A E -Mo 654 826J 1 158,-2.1 160,-1.3 -2,-0.3 -13,-0.2 -0.934 30.5-100.5-117.4 136.6 11.3 13.1 38.0 668 352 B R E > - 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0 0 57 -3,-1.1 4,-2.5 1,-0.1 5,-0.3 -0.220 47.5-133.8 -58.8 126.5 8.9 45.1 42.8 693 377 B K H > S+ 0 0 97 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.900 101.9 31.4 -51.0 -57.9 10.4 48.5 43.6 694 378 B V H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.825 113.9 63.3 -74.1 -34.5 7.4 50.3 44.9 695 379 B G H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 107.7 41.3 -52.9 -47.7 5.8 47.1 46.3 696 380 B N H X S+ 0 0 27 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.771 110.0 59.0 -76.9 -24.7 8.7 46.7 48.7 697 381 B I H >X S+ 0 0 8 -4,-1.1 4,-1.3 -5,-0.3 3,-0.9 0.989 105.9 48.1 -63.4 -58.5 8.7 50.4 49.6 698 382 B I H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.873 106.9 58.7 -44.7 -42.0 5.1 50.2 50.7 699 383 B D H 3X S+ 0 0 29 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.894 105.9 47.8 -60.3 -37.3 6.0 47.1 52.7 700 384 B T H X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.914 111.6 50.8 -59.0 -42.9 3.5 49.2 63.0 707 391 B L H >< S+ 0 0 50 -4,-2.5 3,-1.3 1,-0.3 4,-0.4 0.948 109.1 49.4 -59.6 -48.4 6.7 50.1 64.8 708 392 B K T 3< S+ 0 0 56 -4,-2.1 49,-0.4 1,-0.3 -1,-0.3 0.482 118.9 42.5 -70.5 0.7 5.4 53.7 65.6 709 393 B A T X> S+ 0 0 0 -3,-1.1 4,-1.0 -4,-0.4 3,-0.9 0.429 84.0 97.1-119.5 -4.1 2.3 52.0 66.9 710 394 B D T << S+ 0 0 16 -3,-1.3 15,-0.5 -4,-0.7 3,-0.4 0.850 83.9 50.5 -62.8 -39.0 3.8 49.0 68.8 711 395 B D T 34 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.774 113.8 44.7 -63.7 -30.6 3.7 50.7 72.2 712 396 B Y T <4 S+ 0 0 99 -3,-0.9 2,-0.5 41,-0.1 -1,-0.2 0.480 90.8 80.9-107.7 -2.8 0.1 51.8 71.9 713 397 B I < - 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w 01267P 11 -15,-1.3 3,-1.5 -2,-0.4 160,-0.2 -0.238 31.7-123.5 -47.5 137.6 -23.7 44.8 15.0 1109 353 C D G > S+ 0 0 78 158,-2.4 3,-1.5 1,-0.3 -1,-0.1 0.847 110.3 63.4 -56.1 -37.0 -26.1 41.9 14.1 1110 354 C K G 3 S+ 0 0 78 1,-0.3 -1,-0.3 157,-0.2 -2,-0.1 0.207 92.6 67.7 -73.1 18.0 -23.2 39.5 13.5 1111 355 C E G <> + 0 0 2 -3,-1.5 4,-1.4 -4,-0.1 3,-0.3 0.178 67.1 100.5-122.0 12.7 -22.3 40.0 17.2 1112 356 C V H <> S+ 0 0 83 -3,-1.5 4,-2.5 1,-0.2 5,-0.1 0.782 75.3 58.8 -71.6 -29.7 -25.4 38.2 18.5 1113 357 C G H > S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.789 106.8 49.6 -69.5 -28.0 -23.5 35.0 19.3 1114 358 C N H > S+ 0 0 1 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.815 108.5 52.7 -76.4 -35.2 -21.3 37.0 21.5 1115 359 C L H X S+ 0 0 9 -4,-1.4 4,-2.0 2,-0.2 3,-0.5 0.909 106.3 52.1 -66.8 -42.4 -24.3 38.5 23.2 1116 360 C Y H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.935 106.3 55.8 -54.7 -44.5 -25.7 35.0 23.9 1117 361 C D H X S+ 0 0 64 -4,-1.3 4,-0.8 1,-0.2 -33,-0.5 0.776 107.7 50.1 -62.0 -27.4 -22.4 34.1 25.5 1118 362 C X H >X S+ 0 0 3 -4,-1.1 4,-2.5 -3,-0.5 3,-1.2 0.983 110.2 45.4 -72.6 -62.2 -22.7 37.0 27.8 1119 363 C F H 3X S+ 0 0 76 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.776 109.1 57.3 -52.5 -32.2 -26.3 36.4 29.1 1120 364 C H H 3X S+ 0 0 116 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.3 0.861 109.0 47.3 -66.1 -35.1 -25.4 32.7 29.5 1121 365 C T H S+ 0 0 0 -4,-2.8 5,-2.5 3,-0.2 4,-1.9 0.913 118.5 45.4 -56.4 -42.1 -23.0 33.5 38.0 1126 370 C H H <>S+ 0 0 44 -4,-2.3 5,-1.2 -5,-0.3 -2,-0.2 0.981 116.9 39.3 -65.8 -60.6 -26.6 34.0 39.2 1127 371 C R H <5S+ 0 0 153 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.907 129.4 31.6 -55.5 -40.8 -27.8 30.3 39.3 1128 372 C R H <5S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.699 134.3 9.1 -99.1 -22.6 -24.4 29.0 40.7 1129 373 C A T ><5S+ 0 0 8 -4,-1.9 3,-1.0 -5,-0.4 -3,-0.2 0.707 119.8 48.8-126.5 -54.9 -22.9 31.7 42.9 1130 374 C Y T 3 - 0 0 56 -3,-1.0 4,-2.5 1,-0.1 5,-0.3 -0.154 48.0-133.5 -49.5 122.2 -25.8 29.8 46.4 1133 377 C K H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.879 102.1 31.8 -46.4 -58.9 -27.8 28.2 49.3 1134 378 C V H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.790 114.0 63.9 -74.0 -30.7 -25.1 28.3 52.0 1135 379 C G H > S+ 0 0 6 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.921 107.5 40.0 -58.9 -47.4 -23.6 31.5 50.7 1136 380 C N H X S+ 0 0 26 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.747 110.2 60.5 -76.1 -24.0 -26.7 33.5 51.3 1137 381 C I H >X S+ 0 0 9 -4,-1.1 4,-1.2 -5,-0.3 3,-1.1 0.991 105.5 47.3 -63.0 -58.9 -27.2 31.8 54.7 1138 382 C I H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 3,-0.7 0.884 106.5 59.6 -46.0 -42.2 -23.9 33.0 55.9 1139 383 C D H 3X S+ 0 0 28 -4,-1.4 4,-1.5 1,-0.3 -1,-0.3 0.895 105.5 47.7 -59.0 -35.8 -24.8 36.5 54.6 1140 384 C T H X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.7 0.927 111.4 50.5 -55.9 -46.3 -24.2 43.3 63.0 1147 391 C L H >< S+ 0 0 49 -4,-2.3 3,-1.3 1,-0.3 4,-0.5 0.944 109.1 49.7 -57.9 -47.6 -27.7 43.8 64.2 1148 392 C K T 3< S+ 0 0 77 -4,-2.0 49,-0.4 1,-0.3 -1,-0.3 0.490 119.1 41.4 -71.2 1.6 -26.9 42.3 67.7 1149 393 C A T X> S+ 0 0 0 -3,-1.3 3,-0.9 -4,-0.4 4,-0.9 0.404 84.5 97.9-123.1 -1.4 -23.9 44.6 67.8 1150 394 C D T << S+ 0 0 14 -3,-1.3 15,-0.4 -4,-0.7 3,-0.4 0.854 83.5 51.1 -63.2 -38.9 -25.4 47.8 66.4 1151 395 C D T 34 S+ 0 0 103 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.764 113.6 43.8 -63.9 -29.0 -26.0 49.4 69.8 1152 396 C Y T <4 S+ 0 0 86 -3,-0.9 2,-0.5 41,-0.1 -1,-0.2 0.456 91.3 81.5-110.2 -2.2 -22.5 48.8 71.0 1153 397 C I < - 0 0 6 -4,-0.9 2,-0.5 -3,-0.4 12,-0.4 -0.930 60.3-159.2-105.8 123.5 -20.1 49.8 68.2 1154 398 C E - 0 0 126 -2,-0.5 2,-0.4 10,-0.1 10,-0.2 -0.889 4.0-164.8-105.4 131.6 -19.3 53.5 67.8 1155 399 C I E -X 1163 0Q 12 8,-2.9 8,-2.9 -2,-0.5 2,-0.6 -0.930 22.9-125.8-109.1 134.0 -17.9 54.9 64.6 1156 400 C T E +X 1162 0Q 26 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.698 34.6 176.1 -92.2 122.6 -16.4 58.4 64.8 1157 401 C G > - 0 0 4 4,-3.1 3,-0.9 -2,-0.6 2,-0.1 -0.059 39.8 -37.3-103.5-157.9 -17.8 61.0 62.4 1158 402 C A G > S+ 0 0 37 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 -0.383 123.4 11.9 -67.5 139.9 -17.4 64.7 61.6 1159 403 C G G 3 S- 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.120 128.0 -70.7 84.5 -22.1 -16.9 67.0 64.5 1160 404 C G G < S+ 0 0 44 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.097 90.2 147.3 120.8 -17.7 -16.3 64.1 66.9 1161 405 C K < - 0 0 49 -3,-1.1 -4,-3.1 -5,-0.1 2,-0.4 -0.055 42.7-130.5 -51.0 147.1 -19.9 63.0 66.8 1162 406 C K E -X 1156 0Q 125 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.868 24.0-173.0-107.3 140.8 -20.3 59.2 67.2 1163 407 C Y E -X 1155 0Q 53 -8,-2.9 -8,-2.9 -2,-0.4 2,-0.2 -0.792 19.7-121.6-122.9 166.1 -22.5 57.0 65.0 1164 408 C R >> - 0 0 127 -2,-0.3 4,-1.8 -10,-0.2 3,-0.9 -0.625 36.4-102.2 -98.4 164.9 -23.7 53.4 65.0 1165 409 C I G >4 S+ 0 0 0 -15,-0.4 3,-0.7 -12,-0.4 4,-0.3 0.951 125.7 44.3 -45.7 -53.4 -23.1 50.9 62.2 1166 410 C S G 34 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.657 119.5 43.1 -68.6 -16.4 -26.6 51.5 60.9 1167 411 C T G X4 S+ 0 0 25 -3,-0.9 3,-2.0 1,-0.1 -1,-0.2 0.489 82.8 90.4-115.0 -7.2 -26.4 55.2 61.3 1168 412 C A G X< S+ 0 0 0 -4,-1.8 3,-1.5 -3,-0.7 7,-0.6 0.704 73.8 77.4 -63.4 -17.9 -23.0 56.0 59.9 1169 413 C I G 3 S+ 0 0 5 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.550 82.8 67.1 -68.6 -4.9 -24.7 56.4 56.6 1170 414 C D G < S+ 0 0 92 -3,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.643 105.6 38.6 -88.4 -15.8 -25.9 59.8 57.8 1171 415 C D X> - 0 0 27 -3,-1.5 4,-2.5 -4,-0.2 3,-0.5 -0.969 65.4-153.0-139.7 123.1 -22.3 61.2 57.8 1172 416 C X H 3> S+ 0 0 20 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.773 93.1 65.7 -70.3 -24.4 -19.7 60.6 55.2 1173 417 C E H 34 S+ 0 0 88 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.928 112.6 34.1 -57.6 -46.2 -16.8 61.2 57.6 1174 418 C A H X4 S+ 0 0 0 -3,-0.5 3,-2.3 -6,-0.2 4,-0.2 0.897 112.6 59.2 -76.4 -45.1 -17.8 58.1 59.6 1175 419 C Y H >< S+ 0 0 0 -4,-2.5 3,-2.7 -7,-0.6 -2,-0.2 0.911 95.9 65.2 -53.1 -40.5 -19.0 56.1 56.6 1176 420 C T T 3< S+ 0 0 17 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.808 104.8 45.9 -49.6 -29.2 -15.5 56.4 55.2 1177 421 C K T < S+ 0 0 44 -3,-2.3 2,-0.8 -4,-0.3 -1,-0.3 0.314 88.2 97.9-101.5 9.6 -14.4 54.3 58.2 1178 422 C L < + 0 0 0 -3,-2.7 2,-0.2 -4,-0.2 -1,-0.1 -0.850 52.7 128.3-101.9 100.5 -17.2 51.7 57.9 1179 423 C T S > S- 0 0 0 -2,-0.8 3,-1.2 -207,-0.1 4,-0.2 -0.496 78.5 -64.9-133.8-161.4 -15.6 48.8 56.0 1180 424 C D T >> S+ 0 0 23 -273,-2.5 3,-1.6 1,-0.3 4,-0.7 0.666 115.7 84.5 -72.3 -15.2 -15.2 45.0 56.4 1181 425 C N H >> S+ 0 0 13 1,-0.3 4,-2.3 -274,-0.2 3,-0.6 0.848 72.7 72.2 -50.4 -38.7 -13.1 45.8 59.5 1182 426 C I H <> S+ 0 0 1 -3,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.804 90.8 60.3 -52.2 -31.5 -16.3 46.0 61.5 1183 427 C F H <> S+ 0 0 4 -3,-1.6 4,-2.4 -4,-0.2 -1,-0.2 0.949 109.3 39.1 -61.2 -51.5 -16.6 42.2 61.3 1184 428 C L H < S+ 0 0 0 -4,-1.6 3,-0.7 -5,-0.2 -2,-0.2 0.932 115.2 53.9 -67.7 -50.4 -16.7 42.3 66.8 1187 431 C L H 3< S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.876 116.3 37.2 -54.4 -42.6 -15.0 38.9 66.4 1188 432 C Y H 3< S+ 0 0 38 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.573 92.3 122.6 -88.1 -11.2 -11.9 40.0 68.4 1189 433 C S << - 0 0 20 -3,-0.7 -3,-0.1 -4,-0.6 -4,-0.0 -0.038 44.1-166.8 -53.6 152.6 -14.0 42.1 70.9 1190 434 C T + 0 0 92 8,-0.0 -1,-0.1 0, 0.0 5,-0.1 0.439 48.7 121.8-116.5 -9.2 -13.8 41.3 74.7 1191 435 C D - 0 0 67 1,-0.1 3,-0.2 3,-0.1 -2,-0.0 -0.308 58.3-145.8 -58.2 131.8 -16.8 43.4 75.6 1192 436 C P S > S+ 0 0 106 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.763 99.9 63.7 -71.6 -24.3 -19.5 41.5 77.4 1193 437 C K T > S+ 0 0 120 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.883 104.5 48.0 -61.3 -38.4 -22.1 43.7 75.7 1194 438 C L T 3> S+ 0 0 8 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.156 80.6 103.3 -89.3 18.0 -20.9 42.3 72.4 1195 439 C K H <> S+ 0 0 120 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.906 77.6 53.6 -67.5 -40.5 -21.0 38.7 73.5 1196 440 C D H <> S+ 0 0 114 -3,-0.5 4,-1.0 -4,-0.3 -1,-0.2 0.925 113.1 42.8 -58.3 -47.8 -24.2 37.9 71.6 1197 441 C A H >> S+ 0 0 0 -49,-0.4 4,-1.8 -4,-0.2 3,-1.0 0.960 110.9 54.6 -62.9 -54.8 -22.7 39.2 68.3 1198 442 C R H 3X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.853 102.6 59.5 -45.9 -40.6 -19.4 37.5 68.8 1199 443 C E H 3X S+ 0 0 85 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.863 105.2 47.1 -65.9 -35.5 -21.1 34.2 69.3 1200 444 C I H S+ 0 0 67 -4,-1.2 5,-2.3 1,-0.2 4,-1.1 0.882 102.6 52.4 -55.9 -38.7 -20.8 30.1 64.7 1204 448 C I H <5S+ 0 0 5 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.900 104.7 50.8 -70.4 -42.9 -19.4 30.8 61.3 1205 449 C E H <5S+ 0 0 16 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.4 41.7 -62.7 -35.9 -15.8 29.9 62.0 1206 450 C Y H <5S- 0 0 80 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.657 111.1-126.0 -82.5 -20.1 -17.0 26.6 63.4 1207 451 C R T <5 + 0 0 72 -4,-1.1 2,-1.1 1,-0.2 -3,-0.2 0.835 60.2 144.1 74.9 32.7 -19.5 26.2 60.7 1208 452 C N < + 0 0 87 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.736 36.0 179.4 -93.0 80.1 -22.6 25.7 62.8 1209 453 C L - 0 0 19 -2,-1.1 -71,-0.0 1,-0.2 -75,-0.0 -0.329 35.8 -87.4 -82.2 161.0 -24.7 27.6 60.3 1210 454 C F - 0 0 14 1,-0.1 2,-0.4 -2,-0.1 69,-0.2 -0.296 54.4-107.7 -54.6 154.4 -28.4 28.4 60.4 1211 455 C K E -Y 1278 0R 83 67,-2.4 67,-2.4 69,-0.2 2,-0.3 -0.755 22.1-121.3 -96.8 136.3 -30.4 25.6 58.9 1212 456 C Y E +Y 1277 0R 87 -2,-0.4 65,-0.2 65,-0.2 3,-0.1 -0.547 30.6 174.5 -71.5 132.6 -32.1 25.9 55.5 1213 457 C V E - 0 0 13 63,-2.4 2,-0.3 1,-0.3 64,-0.2 0.700 50.2 -63.8-111.5 -32.6 -35.9 25.3 55.8 1214 458 C G E -Y 1276 0R 2 62,-1.0 62,-1.9 2,-0.0 2,-0.4 -0.927 35.9-106.9 160.6 173.6 -37.1 26.0 52.3 1215 459 C E E +Y 1275 0R 48 -2,-0.3 91,-0.4 60,-0.2 2,-0.3 -0.981 29.3 158.6-135.8 140.5 -37.8 28.3 49.3 1216 460 C T E -Y 1274 0R 1 58,-2.0 58,-2.5 -2,-0.4 88,-0.1 -0.923 20.6-148.7-146.4 167.2 -40.9 29.9 47.8 1217 461 C Q - 0 0 95 -2,-0.3 86,-2.1 56,-0.2 2,-0.3 -0.990 28.9 -96.1-144.6 156.7 -41.5 32.8 45.5 1218 462 C P B -A 1302 0S 18 0, 0.0 54,-0.2 0, 0.0 84,-0.2 -0.535 37.1-128.3 -80.1 127.7 -44.3 35.3 45.2 1219 463 C T S S+ 0 0 92 82,-0.7 3,-0.4 -2,-0.3 2,-0.1 -0.340 73.0 13.4 -67.4 151.7 -46.9 34.6 42.5 1220 464 C G S S- 0 0 66 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.359 115.6 -54.7 78.9-162.9 -47.8 37.3 40.1 1221 465 C Q S S+ 0 0 97 -2,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.691 96.5 124.6 -82.6 -21.0 -45.7 40.4 39.6 1222 466 C I - 0 0 112 -3,-0.4 2,-0.4 1,-0.1 0, 0.0 -0.040 42.1-163.0 -55.1 133.4 -45.9 41.3 43.3 1223 467 C K - 0 0 126 48,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.957 26.6-114.2-123.2 130.5 -42.7 41.8 45.3 1224 468 C I - 0 0 8 -2,-0.4 2,-0.1 1,-0.1 5,-0.0 -0.481 43.9-129.0 -55.1 119.6 -42.1 41.9 49.0 1225 469 C K > - 0 0 35 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.454 11.6-116.5 -78.1 149.2 -41.0 45.5 49.6 1226 470 C R G > S+ 0 0 77 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.781 112.7 61.7 -53.7 -33.1 -37.8 46.3 51.5 1227 471 C E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.679 98.9 58.6 -70.1 -16.8 -39.8 48.0 54.3 1228 472 C D G X> S+ 0 0 68 -3,-1.9 4,-0.8 1,-0.2 3,-0.8 0.473 77.8 91.9 -92.2 -4.6 -41.5 44.7 55.1 1229 473 C Y G X4 S+ 0 0 16 -3,-1.2 3,-1.2 -4,-0.3 -1,-0.2 0.918 79.2 56.9 -60.1 -46.2 -38.4 42.7 55.8 1230 474 C E G 34 S+ 0 0 84 -246,-0.4 4,-0.4 -4,-0.3 -1,-0.2 0.767 109.0 47.8 -56.9 -27.7 -38.3 43.4 59.6 1231 475 C S G <> S+ 0 0 35 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.641 85.9 87.8 -91.0 -18.2 -41.8 41.9 60.0 1232 476 C L H S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.920 107.4 55.3 -63.9 -37.1 -40.2 36.5 60.8 1234 478 C K H > S+ 0 0 119 -4,-0.4 4,-0.6 -3,-0.2 -2,-0.2 0.913 110.4 49.0 -55.4 -41.2 -43.0 37.7 63.1 1235 479 C E H >< S+ 0 0 59 -4,-1.9 3,-1.3 2,-0.2 4,-0.3 0.949 109.7 47.6 -60.8 -57.5 -45.4 36.6 60.3 1236 480 C V H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.951 111.2 51.9 -50.0 -52.7 -44.0 33.1 59.8 1237 481 C A H 3< S+ 0 0 20 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.645 106.3 55.7 -63.8 -14.4 -43.9 32.4 63.5 1238 482 C S T << S+ 0 0 94 -3,-1.3 2,-0.9 -4,-0.6 -1,-0.3 0.357 78.7 115.0 -98.9 4.9 -47.6 33.4 63.8 1239 483 C A < - 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0 0 155 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.905 29.1-178.8 46.7 54.6 -18.8 -20.1 38.7 1383 191 D I - 0 0 30 -5,-0.3 -1,-0.2 -8,-0.1 2,-0.1 -0.764 14.4-149.7 -82.9 117.3 -17.5 -18.3 35.7 1384 192 D S > - 0 0 44 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.413 28.1-112.3 -91.7 161.3 -15.0 -20.5 33.9 1385 193 D E H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.781 123.8 52.3 -54.2 -27.0 -11.9 -19.9 31.8 1386 194 D R H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 104.6 52.0 -76.4 -46.2 -14.1 -21.3 29.0 1387 195 D D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.867 109.9 51.5 -58.1 -37.3 -16.9 -19.0 29.6 1388 196 D V H X S+ 0 0 27 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.961 107.0 50.4 -67.3 -51.0 -14.5 -16.1 29.4 1389 197 D L H X S+ 0 0 9 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.855 109.9 52.9 -54.6 -40.0 -13.0 -17.1 26.1 1390 198 D C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.936 108.2 47.8 -63.1 -48.2 -16.4 -17.5 24.6 1391 199 D V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.927 111.8 52.4 -60.5 -42.1 -17.6 -14.0 25.6 1392 200 D Q H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.955 109.0 47.9 -57.1 -52.4 -14.3 -12.6 24.2 1393 201 D I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.866 110.6 53.3 -56.3 -37.5 -14.8 -14.3 20.8 1394 202 D A H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.923 111.4 44.0 -63.4 -45.1 -18.4 -13.1 20.7 1395 203 D G H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -31,-0.4 0.874 113.6 53.9 -65.5 -35.2 -17.3 -9.4 21.3 1396 204 D L H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.806 118.8 31.6 -68.6 -30.8 -14.5 -10.0 18.8 1397 205 D C H >< S+ 0 0 0 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.314 82.4 104.5-113.9 4.7 -16.9 -11.2 16.1 1398 206 D H T 3< S+ 0 0 11 -4,-0.8 3,-0.2 -3,-0.4 31,-0.2 0.707 89.3 42.3 -65.2 -18.1 -20.1 -9.4 16.6 1399 207 D D T > S+ 0 0 5 -4,-0.2 3,-1.6 -3,-0.2 -1,-0.3 0.266 76.6 108.6-115.3 11.1 -19.4 -7.1 13.6 1400 208 D L T < S+ 0 0 0 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.804 77.3 58.4 -53.2 -33.6 -18.1 -9.6 11.1 1401 209 D G T 3 S+ 0 0 0 24,-0.3 -1,-0.3 -4,-0.3 27,-0.1 0.497 73.4 119.1 -82.3 -5.8 -21.2 -9.2 9.1 1402 210 D H < - 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