==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT 23-SEP-97 1AV1 . COMPND 2 MOLECULE: APOLIPOPROTEIN A-I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BORHANI,D.P.ROGERS,J.A.ENGLER,C.G.BROUILLETTE . 804 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 98.3 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 . 0 0.0 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 . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 592 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 4.5 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 0 4 2 2 0 0 0 2 2 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 8 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 43 A M 0 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.8 8.6 30.2 58.7 2 44 A L - 0 0 50 1,-0.1 2,-1.7 376,-0.1 3,-0.2 -0.227 360.0-147.2 -52.6 111.6 11.5 28.7 60.5 3 45 A K + 0 0 137 1,-0.2 3,-0.4 -2,-0.2 -1,-0.1 -0.627 37.5 154.7 -84.6 84.5 14.2 28.0 58.0 4 46 A L + 0 0 40 -2,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.602 51.6 97.5 -83.2 -11.1 15.7 24.9 59.6 5 47 A L + 0 0 93 1,-0.3 3,-0.5 -3,-0.2 -1,-0.2 0.343 51.0 97.0 -60.4 7.2 16.8 24.1 56.0 6 48 A D >> + 0 0 75 -3,-0.4 4,-1.3 1,-0.2 3,-0.9 0.130 39.0 130.6 -84.4 20.2 20.1 25.6 57.1 7 49 A N H 3> + 0 0 23 -3,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.659 67.5 63.5 -48.6 -15.5 21.1 22.0 57.7 8 50 A W H 3> S+ 0 0 183 -3,-0.5 4,-3.6 2,-0.2 3,-0.4 0.959 95.3 55.8 -72.1 -52.1 24.1 23.1 55.7 9 51 A D H <> S+ 0 0 59 -3,-0.9 4,-1.0 1,-0.3 5,-0.2 0.847 107.7 50.9 -44.5 -43.6 25.1 25.6 58.4 10 52 A S H < S+ 0 0 21 -4,-1.3 4,-0.4 1,-0.1 -1,-0.3 0.928 120.5 32.2 -63.3 -46.5 25.1 22.6 60.8 11 53 A V H X>S+ 0 0 4 -4,-1.4 4,-3.0 -3,-0.4 5,-0.8 0.917 116.1 54.0 -79.8 -46.1 27.3 20.5 58.6 12 54 A T H X>S+ 0 0 60 -4,-3.6 5,-1.2 1,-0.2 4,-0.5 0.968 108.7 45.4 -51.7 -67.1 29.5 23.1 56.9 13 55 A S H <5S+ 0 0 22 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 0.717 126.1 35.9 -52.6 -23.3 30.9 24.9 60.0 14 56 A T H >5S+ 0 0 8 -4,-0.4 4,-0.9 -3,-0.3 -2,-0.2 0.920 129.1 20.8 -94.2 -68.4 31.5 21.5 61.5 15 57 A F H X5S+ 0 0 5 -4,-3.0 4,-1.2 -5,-0.2 3,-0.2 0.943 118.6 55.5 -72.4 -52.8 32.6 19.0 58.9 16 58 A S H X< S+ 0 0 91 -4,-1.2 3,-1.0 -3,-0.4 -2,-0.2 0.958 119.9 39.0 -78.2 -58.5 38.8 18.9 55.8 20 62 A E H >< S+ 0 0 137 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.876 118.0 51.8 -62.1 -35.8 39.7 22.1 54.1 21 63 A Q T 3< S+ 0 0 102 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.565 99.1 64.3 -79.0 -9.2 41.7 23.2 57.1 22 64 A L T X S+ 0 0 23 -3,-1.0 3,-1.0 -5,-0.2 -1,-0.3 0.258 72.6 99.8 -96.7 14.1 43.6 20.0 57.1 23 65 A G T X> + 0 0 23 -3,-1.2 4,-0.9 1,-0.2 3,-0.7 0.681 55.0 85.3 -69.3 -22.2 45.0 21.0 53.7 24 66 A P H 3> S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.534 72.2 86.3 -58.5 -3.6 48.3 22.1 55.4 25 67 A V H <> S+ 0 0 11 -3,-1.0 4,-3.0 2,-0.2 5,-0.4 0.992 93.0 34.0 -58.1 -65.7 49.2 18.5 55.1 26 68 A T H <4>S+ 0 0 67 -3,-0.7 5,-2.4 3,-0.2 6,-0.2 0.779 118.8 60.0 -63.0 -25.8 50.6 18.6 51.5 27 69 A Q H <5S+ 0 0 111 -4,-0.9 4,-0.5 3,-0.2 5,-0.4 0.998 117.2 23.8 -63.1 -74.5 51.9 22.0 52.4 28 70 A E H <5S+ 0 0 48 -4,-2.6 -2,-0.2 3,-0.1 -3,-0.2 0.820 136.9 34.0 -64.7 -34.2 54.1 21.2 55.3 29 71 A F T >X5S+ 0 0 11 -4,-3.0 4,-2.9 -5,-0.4 3,-1.4 0.919 120.5 35.9 -84.1 -81.9 54.7 17.6 54.3 30 72 A W H 3>5S+ 0 0 74 -5,-0.4 4,-2.4 1,-0.3 5,-0.5 0.848 121.4 44.8 -40.7 -59.2 54.7 17.2 50.5 31 73 A D H 3> S+ 0 0 39 -3,-1.4 4,-1.3 -5,-0.4 -1,-0.3 0.861 116.3 46.5 -77.3 -36.8 59.0 19.8 52.5 33 75 A L H >X S+ 0 0 49 -4,-2.9 4,-3.8 2,-0.2 3,-1.9 1.000 114.2 41.4 -65.8 -73.6 59.4 16.3 51.1 34 76 A E H 3X>S+ 0 0 103 -4,-2.4 4,-1.0 1,-0.3 5,-0.7 0.777 113.8 59.3 -47.1 -28.1 59.8 17.0 47.4 35 77 A K H 3<5S+ 0 0 148 -4,-0.7 -1,-0.3 -5,-0.5 -2,-0.2 0.840 118.7 26.8 -70.9 -37.4 62.0 19.9 48.5 36 78 A E H X5S+ 0 0 25 -4,-3.8 4,-1.9 2,-0.2 3,-1.3 0.976 123.4 22.6 -50.6 -78.4 63.8 14.5 48.3 38 80 A E H 3X5S+ 0 0 104 -4,-1.0 4,-1.6 1,-0.3 -1,-0.2 0.838 120.0 67.9 -63.6 -25.2 64.6 15.9 44.8 39 81 A G H 34 S+ 0 0 110 -4,-0.4 4,-1.6 -5,-0.2 -2,-0.2 0.884 114.8 45.3 -67.4 -35.2 73.1 17.2 45.2 44 86 A M H X S+ 0 0 17 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.894 108.4 51.9 -75.2 -45.6 73.7 13.5 44.5 45 87 A S H X S+ 0 0 27 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.840 118.5 41.0 -61.7 -29.8 73.3 13.5 40.8 46 88 A K H X S+ 0 0 163 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.790 113.0 53.1 -85.1 -29.7 75.9 16.3 40.9 47 89 A D H X S+ 0 0 18 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.859 110.5 49.5 -70.5 -33.3 77.9 14.6 43.5 48 90 A L H X S+ 0 0 19 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.832 98.5 68.1 -72.3 -37.9 78.0 11.5 41.3 49 91 A E H X S+ 0 0 117 -4,-1.0 4,-3.1 1,-0.3 5,-0.2 0.950 96.8 51.0 -47.3 -61.9 79.1 13.5 38.2 50 92 A E H X S+ 0 0 115 -4,-1.1 4,-3.0 2,-0.2 -1,-0.3 0.825 111.7 51.4 -44.4 -42.4 82.5 14.3 39.6 51 93 A V H >X S+ 0 0 13 -4,-0.7 4,-0.7 -3,-0.3 3,-0.6 0.998 110.8 43.3 -59.4 -66.6 82.9 10.6 40.3 52 94 A K H 3X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.3 3,-0.5 0.812 117.1 53.1 -49.5 -27.7 81.9 9.5 36.8 53 95 A A H 3< S+ 0 0 61 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.896 103.4 52.1 -76.8 -41.2 84.2 12.4 35.8 54 96 A K H << S+ 0 0 161 -4,-3.0 -1,-0.2 -3,-0.6 -2,-0.2 0.478 123.5 32.3 -75.8 2.5 87.2 11.3 37.7 55 97 A V H >X S+ 0 0 6 -4,-0.7 4,-3.0 -3,-0.5 3,-0.6 0.696 90.4 86.6-125.6 -39.2 86.8 7.9 36.1 56 98 A Q H 3X S+ 0 0 65 -4,-2.8 4,-4.2 1,-0.3 5,-0.2 0.870 95.6 45.1 -32.5 -66.7 85.4 8.1 32.6 57 99 A P H 3> S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.883 115.8 49.8 -50.8 -39.4 88.8 8.6 31.0 58 100 A Y H X> S+ 0 0 59 -3,-0.6 3,-1.3 2,-0.2 4,-0.7 0.990 114.4 41.8 -61.5 -61.1 90.1 5.8 33.1 59 101 A L H >X S+ 0 0 11 -4,-3.0 3,-1.9 1,-0.3 4,-0.7 0.927 103.7 69.4 -45.8 -52.9 87.2 3.5 32.2 60 102 A D H >X S+ 0 0 66 -4,-4.2 3,-1.3 -5,-0.3 4,-1.2 0.831 86.9 68.0 -31.1 -48.7 87.6 4.8 28.6 61 103 A D H XX S+ 0 0 65 -4,-1.5 4,-1.2 -3,-1.3 3,-0.8 0.910 96.0 54.4 -39.7 -56.5 90.8 2.9 28.6 62 104 A F H X S+ 0 0 13 -4,-2.4 3,-1.5 1,-0.2 4,-1.3 0.868 91.4 83.3 -77.0 -35.9 86.6 -16.0 12.0 78 120 A E H 3X S+ 0 0 71 -4,-0.6 4,-0.9 -5,-0.4 -1,-0.2 0.722 90.2 50.6 -36.5 -43.0 86.8 -13.8 8.8 79 121 A P H 3> S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.826 102.3 58.1 -67.4 -39.6 88.1 -16.8 6.6 80 122 A L H <> S+ 0 0 29 -3,-1.5 4,-1.2 -4,-0.4 5,-0.2 0.833 99.0 65.9 -62.7 -28.1 85.4 -19.2 7.7 81 123 A R H >X S+ 0 0 63 -4,-1.3 4,-3.9 1,-0.2 3,-1.5 0.964 100.1 44.5 -57.2 -62.8 83.1 -16.6 6.3 82 124 A A H 3X>S+ 0 0 47 -4,-0.9 5,-1.6 1,-0.3 4,-1.4 0.845 107.8 60.1 -51.5 -39.9 84.2 -16.9 2.7 83 125 A E H 3<5S+ 0 0 72 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.829 120.5 27.5 -57.6 -33.1 84.1 -20.6 3.0 84 126 A L H X5S+ 0 0 31 -4,-3.9 4,-1.9 -5,-0.2 3,-0.8 0.999 124.1 16.7 -67.9 -76.3 80.0 -17.0 1.9 86 128 A E H 3X5S+ 0 0 121 -4,-1.4 4,-1.9 1,-0.2 -3,-0.2 0.885 120.5 71.5 -66.8 -30.2 80.9 -18.0 -1.6 87 129 A G H 3>X S+ 0 0 34 -4,-1.8 3,-0.8 -5,-0.3 4,-0.5 0.867 102.2 48.9 -38.7 -66.0 70.1 -24.4 -8.2 96 138 A Q H >< S+ 0 0 134 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.890 113.7 48.9 -48.6 -42.2 68.4 -21.5 -10.0 97 139 A E H >< S+ 0 0 150 -4,-1.8 3,-1.1 -3,-0.4 -1,-0.3 0.848 110.0 50.1 -68.9 -30.9 70.0 -22.6 -13.2 98 140 A K H << S+ 0 0 142 -4,-2.4 -1,-0.3 -3,-0.8 -2,-0.2 0.424 105.6 63.2 -83.4 5.2 68.8 -26.1 -12.5 99 141 A L T << S+ 0 0 32 -3,-1.5 3,-0.4 -4,-0.5 -1,-0.2 0.332 73.6 87.8-108.0 4.7 65.5 -24.5 -12.0 100 142 A S S X> S+ 0 0 79 -3,-1.1 3,-1.6 1,-0.2 4,-0.7 0.644 72.2 74.5 -75.0 -17.1 65.0 -23.1 -15.5 101 143 A P H 3> S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 87.5 63.7 -60.1 -32.9 63.3 -26.4 -16.5 102 144 A L H 3>>S+ 0 0 21 -3,-0.4 4,-1.4 3,-0.2 5,-0.8 0.712 92.7 69.1 -60.7 -22.0 60.4 -25.1 -14.6 103 145 A G H <>>S+ 0 0 33 -3,-1.6 4,-1.0 2,-0.2 5,-0.7 0.992 107.2 29.0 -60.6 -78.9 60.4 -22.3 -17.2 104 146 A E H <5S+ 0 0 162 -4,-0.7 5,-0.2 3,-0.2 -2,-0.2 0.802 129.8 49.0 -53.0 -29.5 59.2 -24.3 -20.3 105 147 A E H X5S+ 0 0 69 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.971 119.4 27.8 -71.7 -82.8 57.4 -26.5 -17.8 106 148 A M H X5S+ 0 0 31 -4,-1.4 4,-3.4 2,-0.2 3,-0.4 0.936 129.8 42.2 -41.4 -68.2 55.5 -24.2 -15.4 107 149 A R H XX S+ 0 0 57 -4,-0.6 4,-1.6 1,-0.2 3,-0.6 0.914 112.9 44.2 -49.6 -71.5 47.2 -21.5 -21.7 113 155 A H H 3X S+ 0 0 72 -4,-0.6 4,-0.8 1,-0.3 3,-0.3 0.869 112.2 57.8 -46.3 -37.8 44.9 -21.7 -18.7 114 156 A V H >X S+ 0 0 17 -4,-2.3 3,-1.2 1,-0.3 4,-0.9 0.943 103.6 50.6 -55.2 -55.4 46.2 -18.2 -17.8 115 157 A D H X S+ 0 0 28 -4,-2.4 3,-2.4 -5,-0.2 4,-1.0 0.845 91.7 80.9-106.0 -61.7 38.0 -10.8 -19.2 122 164 A A H 3X S+ 0 0 47 -4,-2.3 4,-2.2 -5,-0.4 5,-0.1 0.619 91.8 55.0 -19.1 -48.9 38.6 -8.7 -22.2 123 165 A P H 3> S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.940 106.9 50.6 -60.2 -46.3 34.9 -8.1 -22.9 124 166 A Y H <> S+ 0 0 59 -3,-2.4 4,-3.3 2,-0.3 5,-0.3 0.886 106.7 53.0 -60.1 -41.1 34.3 -6.8 -19.4 125 167 A S H X S+ 0 0 9 -4,-1.0 4,-3.4 1,-0.2 3,-0.5 0.995 113.7 44.7 -53.9 -60.1 37.2 -4.3 -19.6 126 168 A D H X S+ 0 0 100 -4,-2.2 4,-2.0 1,-0.3 -2,-0.3 0.827 112.8 52.7 -48.4 -41.2 35.5 -3.2 -22.8 127 169 A E H X S+ 0 0 80 -4,-2.9 4,-0.8 1,-0.2 -1,-0.3 0.926 116.0 37.6 -65.6 -45.1 32.1 -3.2 -21.0 128 170 A L H X>S+ 0 0 20 -4,-3.3 4,-2.5 -3,-0.5 5,-0.6 0.854 110.9 58.5 -74.9 -39.8 33.3 -1.1 -18.1 129 171 A R H X5S+ 0 0 79 -4,-3.4 4,-2.0 -5,-0.3 5,-0.4 0.984 109.1 45.8 -52.2 -54.8 35.5 1.2 -20.1 130 172 A Q H X5S+ 0 0 158 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.3 0.759 121.4 42.7 -58.7 -28.0 32.4 2.2 -22.2 131 173 A R H X5S+ 0 0 131 -4,-0.8 4,-1.4 -5,-0.2 3,-0.3 0.963 115.0 38.9 -83.7 -72.6 30.5 2.5 -18.9 132 174 A L H X5S+ 0 0 17 -4,-2.5 4,-1.1 1,-0.2 -3,-0.2 0.810 112.2 59.7 -50.2 -38.4 32.7 4.3 -16.4 133 175 A A H >X S+ 0 0 5 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.947 109.8 38.8 -75.1 -51.4 30.5 15.0 -14.5 140 182 A K H X S+ 0 0 69 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.969 119.7 47.3 -60.3 -56.2 31.7 17.8 -16.8 141 183 A E H X S+ 0 0 114 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.885 117.0 44.4 -53.5 -41.7 28.3 18.2 -18.4 142 184 A N H X S+ 0 0 35 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.786 104.7 61.8 -76.7 -26.0 26.7 18.2 -14.9 143 185 A G H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 102.9 52.8 -63.2 -38.1 29.4 20.6 -13.5 144 186 A G H X S+ 0 0 32 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.822 103.5 57.4 -65.2 -32.6 28.1 23.0 -16.1 145 187 A A H X S+ 0 0 43 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.976 111.9 39.2 -62.6 -55.1 24.6 22.6 -14.8 146 188 A R H X S+ 0 0 21 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.924 116.0 51.0 -61.5 -48.4 25.4 23.6 -11.3 147 189 A L H X S+ 0 0 14 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.945 113.4 45.8 -55.1 -47.9 27.8 26.4 -12.3 148 190 A A H X S+ 0 0 63 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 114.2 48.2 -61.7 -41.1 25.1 27.8 -14.6 149 191 A E H X S+ 0 0 95 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.831 116.7 46.2 -67.9 -30.3 22.6 27.4 -11.8 150 192 A Y H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 3,-0.4 0.982 107.7 49.8 -76.0 -64.4 25.1 29.1 -9.5 151 193 A H H X S+ 0 0 72 -4,-3.1 4,-3.0 1,-0.3 5,-0.2 0.867 108.7 57.7 -41.7 -45.8 26.3 32.1 -11.5 152 194 A A H X S+ 0 0 51 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.3 0.951 109.5 43.1 -51.9 -53.0 22.7 32.9 -12.2 153 195 A K H X S+ 0 0 89 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.882 111.9 53.8 -63.4 -38.4 22.0 33.1 -8.4 154 196 A A H X S+ 0 0 9 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.969 110.4 47.4 -59.0 -52.8 25.2 35.0 -7.8 155 197 A T H X S+ 0 0 51 -4,-3.0 4,-1.3 1,-0.2 3,-0.5 0.915 108.8 53.4 -53.2 -51.4 24.2 37.6 -10.4 156 198 A E H >X S+ 0 0 123 -4,-2.4 4,-1.5 1,-0.2 3,-0.6 0.900 104.9 57.2 -52.9 -43.9 20.7 37.9 -9.0 157 199 A H H 3X S+ 0 0 36 -4,-2.2 4,-1.0 1,-0.3 3,-0.3 0.877 103.5 50.8 -55.7 -44.1 22.2 38.6 -5.6 158 200 A L H 3< S+ 0 0 28 -4,-1.5 4,-0.3 -3,-0.5 -1,-0.3 0.790 112.4 49.0 -67.3 -24.4 24.1 41.6 -6.8 159 201 A S H << S+ 0 0 52 -4,-1.3 4,-0.5 -3,-0.6 3,-0.4 0.696 100.1 63.2 -87.9 -21.5 21.0 42.9 -8.4 160 202 A T H >X S+ 0 0 35 -4,-1.5 4,-1.2 -3,-0.3 3,-1.1 0.814 89.8 71.0 -71.6 -29.8 18.8 42.5 -5.3 161 203 A L H 3X S+ 0 0 33 -4,-1.0 4,-3.0 1,-0.3 5,-0.4 0.830 86.4 64.8 -54.2 -39.7 21.0 45.0 -3.4 162 204 A S H 3> S+ 0 0 66 -3,-0.4 4,-0.7 -4,-0.3 -1,-0.3 0.865 107.9 40.1 -53.9 -40.5 19.6 47.8 -5.5 163 205 A E H <4 S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.671 119.9 46.0 -82.3 -22.0 16.1 47.3 -4.0 164 206 A K H X S+ 0 0 45 -4,-1.2 4,-1.5 -3,-0.3 5,-0.2 0.906 103.8 55.8 -86.4 -53.7 17.4 46.6 -0.5 165 207 A A H X S+ 0 0 9 -4,-3.0 4,-1.7 1,-0.2 -3,-0.1 0.907 103.7 62.4 -46.6 -41.8 19.9 49.4 0.1 166 208 A K H < S+ 0 0 156 -4,-0.7 -1,-0.2 -5,-0.4 3,-0.2 0.883 103.9 38.5 -54.9 -61.2 17.1 51.9 -0.7 167 209 A P H >4 S+ 0 0 82 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.927 114.6 55.4 -61.3 -41.2 14.5 51.4 2.0 168 210 A A H >< S+ 0 0 41 -4,-1.5 3,-1.6 1,-0.3 4,-0.4 0.858 98.1 66.3 -58.1 -33.0 17.2 50.9 4.7 169 211 A L T 3< S+ 0 0 19 -4,-1.7 4,-0.5 1,-0.3 -1,-0.3 0.355 85.2 68.1 -74.4 5.7 18.6 54.2 3.7 170 212 A E T <> S+ 0 0 76 -3,-1.9 4,-1.6 3,-0.1 5,-0.4 0.736 86.6 77.7 -91.0 -20.7 15.6 56.1 4.9 171 213 A D H <> S+ 0 0 82 -3,-1.6 4,-1.7 -4,-0.4 3,-0.2 0.921 103.4 23.3 -49.6 -72.7 16.6 55.1 8.5 172 214 A L H > S+ 0 0 14 -4,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.921 117.3 60.7 -67.7 -44.9 19.5 57.5 9.3 173 215 A R H 4 S+ 0 0 85 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.797 124.1 22.2 -52.7 -38.3 18.6 60.4 6.8 174 216 A Q H >< S+ 0 0 78 -4,-1.6 3,-3.2 -3,-0.2 -1,-0.2 0.625 101.2 88.9-105.1 -15.6 15.3 60.9 8.6 175 217 A G H 3< S+ 0 0 14 -4,-1.7 -2,-0.2 -5,-0.4 -3,-0.1 0.624 80.0 67.4 -57.5 -11.8 16.2 59.3 11.9 176 218 A L T 3< S+ 0 0 15 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.302 103.2 47.4 -88.8 6.2 17.4 62.8 12.8 177 219 A L S < S+ 0 0 53 -3,-3.2 2,-1.0 547,-0.1 3,-0.3 0.731 111.2 43.4-111.4 -60.9 13.6 63.6 12.6 178 220 A P + 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.081 64.1 123.9 -84.9 44.9 11.9 60.8 14.6 179 221 A V + 0 0 48 -2,-1.0 -3,-0.1 2,-0.0 -4,-0.1 0.338 45.2 143.5 -77.8 12.5 14.3 60.8 17.6 180 222 A L - 0 0 152 -3,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.058 35.0-156.9 -45.4 150.1 10.9 61.4 19.3 181 223 A E - 0 0 107 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.444 28.3-112.7-126.8-167.5 10.7 59.6 22.6 182 224 A S - 0 0 98 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.796 37.4-172.2 -97.2 -37.9 8.4 58.2 25.2 183 225 A F - 0 0 95 1,-0.2 2,-0.7 2,-0.1 3,-0.0 0.929 9.9-154.7 39.4 87.1 9.2 60.6 28.1 184 226 A K - 0 0 158 1,-0.1 -1,-0.2 4,-0.0 3,-0.1 -0.835 18.6-132.1 -90.4 116.3 7.3 59.1 31.1 185 227 A V - 0 0 16 -2,-0.7 2,-0.7 1,-0.2 -1,-0.1 0.785 37.4-147.1 -32.3 -38.6 6.6 62.0 33.5 186 228 A S S >> S+ 0 0 57 1,-0.1 3,-1.0 -3,-0.0 4,-0.9 -0.867 81.2 53.1 104.9 -90.7 8.1 59.5 36.1 187 229 A F H >> S+ 0 0 61 -2,-0.7 3,-1.4 1,-0.3 4,-0.9 0.845 106.9 56.1 -41.8 -45.0 6.2 60.1 39.4 188 230 A L H >> S+ 0 0 47 1,-0.3 4,-1.8 2,-0.2 3,-1.4 0.926 97.7 61.7 -56.9 -44.3 2.9 59.7 37.6 189 231 A S H <> S+ 0 0 53 -3,-1.0 4,-1.4 1,-0.3 -1,-0.3 0.793 95.9 63.5 -51.7 -26.8 4.1 56.3 36.4 190 232 A A H X S+ 0 0 100 -4,-1.4 4,-1.4 -3,-0.2 3,-1.1 0.945 117.0 64.6 -80.4 -46.4 1.5 50.9 39.5 194 236 A Y H >X S+ 0 0 26 -4,-3.1 4,-1.0 1,-0.3 3,-0.7 0.850 104.9 37.2 -38.8 -75.7 0.2 52.3 42.8 195 237 A T H 3< S+ 0 0 44 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.655 107.2 71.8 -59.1 -17.3 -3.6 52.2 42.3 196 238 A K H X> S+ 0 0 137 -3,-1.1 4,-1.7 -5,-0.4 3,-1.7 0.953 95.4 48.0 -65.3 -51.6 -3.2 48.9 40.4 197 239 A K H + 0 0 75 1,-0.1 3,-2.5 2,-0.0 4,-0.3 -0.552 360.0 161.2-138.1 64.6 24.0 59.5 19.3 205 45 B K G > S+ 0 0 39 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.696 80.7 60.5 -61.0 -16.9 21.1 59.2 17.0 206 46 B L G > S+ 0 0 26 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.611 75.8 93.8 -81.2 -17.0 23.8 59.0 14.3 207 47 B L G X + 0 0 97 -3,-2.5 3,-1.5 1,-0.3 4,-0.4 0.808 68.0 75.9 -43.8 -32.0 25.0 55.8 16.2 208 48 B D G <> + 0 0 36 -3,-0.6 4,-1.0 -4,-0.3 -1,-0.3 0.306 68.4 91.3 -67.9 11.7 22.8 54.0 13.7 209 49 B N H X> S+ 0 0 16 -3,-1.9 4,-1.5 2,-0.2 3,-0.5 0.913 85.9 49.0 -70.6 -43.0 25.6 54.6 11.1 210 50 B W H <> S+ 0 0 133 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.739 102.5 64.5 -66.2 -24.8 27.1 51.3 12.1 211 51 B D H 3> S+ 0 0 97 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.879 107.0 41.5 -62.8 -42.4 23.6 49.8 11.7 212 52 B S H << S+ 0 0 26 -4,-1.0 5,-0.2 -3,-0.5 -2,-0.2 0.756 111.4 54.9 -78.1 -28.7 23.8 50.7 7.9 213 53 B V H >X S+ 0 0 12 -4,-1.5 4,-1.9 3,-0.1 3,-0.6 0.949 114.0 41.2 -69.9 -46.1 27.4 49.6 7.5 214 54 B T H 3<>S+ 0 0 57 -4,-2.1 5,-0.8 1,-0.2 -2,-0.2 0.926 111.0 51.0 -68.7 -53.1 26.8 46.1 8.9 215 55 B S T 3<5S+ 0 0 62 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 0.434 119.6 40.7 -69.9 5.8 23.4 45.2 7.3 216 56 B T T <>5S+ 0 0 24 -3,-0.6 4,-1.4 -4,-0.2 -2,-0.2 0.764 121.8 25.1-114.1 -65.6 24.9 46.2 3.9 217 57 B F H X5S+ 0 0 14 -4,-1.9 4,-0.9 -5,-0.2 3,-0.4 1.000 129.5 34.3 -67.7 -73.8 28.4 45.0 3.4 218 58 B S H >5S+ 0 0 24 -5,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.679 113.7 67.5 -58.1 -17.1 28.9 42.0 5.7 219 59 B K H >>< S+ 0 0 131 -4,-0.9 3,-1.5 1,-0.2 -1,-0.3 0.919 97.8 49.8 -53.8 -47.9 28.2 37.8 2.3 222 62 B E H X< S+ 0 0 119 -3,-1.2 3,-1.5 -4,-0.8 -1,-0.2 0.791 101.8 63.0 -65.0 -25.9 25.8 35.7 4.3 223 63 B Q H 3< S+ 0 0 91 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.718 100.3 55.5 -70.4 -21.9 23.5 35.6 1.2 224 64 B L T X< S+ 0 0 23 -3,-1.5 3,-2.5 -4,-0.7 4,-0.4 0.340 73.3 97.6 -92.0 2.2 26.4 33.8 -0.5 225 65 B G T X> S+ 0 0 29 -3,-1.5 3,-1.6 1,-0.3 4,-0.7 0.843 71.7 73.2 -55.0 -34.4 26.6 31.1 2.2 226 66 B P H 3>>S+ 0 0 41 0, 0.0 4,-3.9 0, 0.0 5,-0.8 0.537 75.1 79.6 -55.6 -9.5 24.5 29.2 -0.5 227 67 B V H <>>S+ 0 0 10 -3,-2.5 4,-1.5 1,-0.2 5,-1.0 0.985 101.4 36.9 -58.9 -51.2 27.8 29.1 -2.3 228 68 B T H <4>S+ 0 0 86 -3,-1.6 5,-0.5 -4,-0.4 -1,-0.2 0.700 120.3 52.9 -71.1 -20.0 28.4 26.2 0.1 229 69 B Q H <5S+ 0 0 115 -4,-0.7 -2,-0.2 3,-0.1 -1,-0.2 0.894 123.0 19.2 -81.2 -53.3 24.6 25.3 -0.3 230 70 B E H X5S+ 0 0 12 -4,-3.9 4,-0.9 3,-0.2 -3,-0.2 0.873 132.5 35.6 -86.9 -49.6 24.2 25.0 -4.0 231 71 B F H XS+ 0 0 92 -4,-3.1 4,-1.8 1,-0.2 5,-0.8 0.870 113.6 65.2 -54.9 -39.3 29.8 16.6 -3.0 237 77 B K H X5S+ 0 0 145 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.2 0.900 114.9 24.1 -53.1 -57.9 26.3 15.3 -3.7 238 78 B E H X>S+ 0 0 43 -4,-2.1 4,-3.7 -3,-0.3 5,-0.6 0.972 118.2 62.3 -74.9 -53.8 26.8 14.0 -7.2 239 79 B T H X5S+ 0 0 8 -4,-2.2 4,-1.4 -5,-0.4 3,-0.3 0.848 122.1 20.2 -33.1 -71.8 30.6 13.5 -6.9 240 80 B E H X5S+ 0 0 94 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.774 121.6 66.2 -75.4 -22.8 30.5 10.9 -4.1 241 81 B G H XX S+ 0 0 4 -4,-2.6 3,-2.4 2,-0.2 4,-0.6 0.996 101.0 52.7 -72.4 -67.0 30.1 3.4 -9.6 247 87 B S H 3X S+ 0 0 52 -4,-2.6 4,-1.5 1,-0.3 5,-0.2 0.779 94.9 78.2 -38.2 -34.4 31.6 1.2 -6.9 248 88 B K H 3X S+ 0 0 120 -4,-1.3 4,-1.9 -5,-0.3 3,-0.5 0.898 89.2 54.0 -42.3 -52.2 28.4 -0.8 -7.5 249 89 B D H S+ 0 0 8 -3,-2.4 4,-2.9 -4,-0.6 5,-0.5 0.913 98.7 59.4 -51.8 -55.5 29.9 -2.3 -10.6 250 90 B L H X5S+ 0 0 32 -4,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.878 110.6 43.3 -45.0 -44.0 33.1 -3.6 -9.0 251 91 B E H X5S+ 0 0 159 -4,-1.5 4,-1.4 -3,-0.5 -1,-0.3 0.875 116.8 48.4 -72.4 -33.2 31.0 -5.7 -6.7 252 92 B E H >X5S+ 0 0 86 -4,-1.9 4,-1.3 -3,-0.3 3,-1.0 0.989 113.9 42.4 -65.1 -65.4 28.7 -6.8 -9.6 253 93 B V H 3X5S+ 0 0 29 -4,-2.9 4,-2.6 1,-0.3 5,-0.3 0.923 105.4 68.5 -46.2 -44.9 31.3 -7.7 -12.0 254 94 B K H 3XX S+ 0 0 25 -4,-2.6 4,-2.5 -3,-0.3 3,-0.5 0.842 95.4 69.7 -92.7 -40.3 34.1 -12.7 -12.4 258 98 B Q H S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.922 112.8 38.1 -47.2 -51.8 33.3 -18.1 -11.2 260 100 B Y H <> S+ 0 0 90 -3,-0.5 4,-2.9 -4,-0.4 5,-0.3 0.977 114.0 53.5 -67.0 -52.3 36.2 -17.9 -13.7 261 101 B L H X S+ 0 0 52 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.887 115.6 41.7 -49.6 -44.3 38.7 -16.7 -11.2 262 102 B D H X S+ 0 0 73 -4,-3.3 4,-2.7 2,-0.3 5,-0.3 0.931 108.7 56.5 -70.1 -47.3 37.9 -19.6 -9.0 263 103 B D H X S+ 0 0 96 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.920 115.2 43.5 -48.0 -42.6 37.7 -22.2 -11.8 264 104 B F H >X S+ 0 0 42 -4,-2.9 4,-2.3 2,-0.2 3,-0.9 0.957 109.0 55.5 -67.0 -54.6 41.1 -21.0 -12.5 265 105 B Q H 3X S+ 0 0 70 -4,-3.0 4,-1.7 1,-0.3 5,-0.2 0.900 103.1 54.3 -46.2 -55.8 42.3 -20.9 -8.9 266 106 B K H 3X S+ 0 0 168 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.820 112.9 46.8 -49.5 -36.5 41.4 -24.6 -8.3 267 107 B K H X S+ 0 0 26 -4,-1.9 3,-1.6 2,-0.2 4,-1.4 0.908 108.8 60.7 -85.4 -45.8 49.6 -27.6 -11.2 272 112 B M H 3X S+ 0 0 26 -4,-3.3 4,-2.1 1,-0.3 -2,-0.2 0.892 99.4 59.7 -46.6 -43.8 51.7 -25.9 -8.5 273 113 B E H 3X S+ 0 0 103 -4,-2.9 4,-2.3 1,-0.3 -1,-0.3 0.854 98.3 58.4 -54.5 -36.7 51.6 -29.1 -6.7 274 114 B L H <> S+ 0 0 59 -3,-1.6 4,-1.9 -4,-0.5 -1,-0.3 0.965 107.6 47.6 -54.8 -52.1 53.4 -30.6 -9.7 275 115 B Y H >< S+ 0 0 29 -4,-1.4 3,-1.1 2,-0.2 4,-0.4 0.972 111.9 48.3 -50.5 -69.3 56.1 -28.1 -9.1 276 116 B R H >X S+ 0 0 121 -4,-2.1 3,-2.6 1,-0.3 4,-1.6 0.831 111.6 47.4 -37.5 -64.6 56.5 -28.7 -5.4 277 117 B Q H 3< S+ 0 0 112 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.811 106.1 57.9 -54.5 -34.4 56.7 -32.5 -5.5 278 118 B K T << S+ 0 0 140 -4,-1.9 -1,-0.3 -3,-1.1 -2,-0.2 0.490 112.8 44.5 -77.8 6.0 59.2 -32.5 -8.3 279 119 B V T X> S+ 0 0 19 -3,-2.6 3,-3.1 -4,-0.4 4,-0.5 0.780 80.2 89.3-113.3 -46.1 61.4 -30.4 -6.0 280 120 B E H >X S+ 0 0 74 -4,-1.6 3,-1.5 1,-0.3 4,-0.7 0.716 78.3 69.0 -26.6 -46.1 61.4 -31.9 -2.5 281 121 B P H >> S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 3,-0.8 0.806 94.0 58.3 -51.0 -31.8 64.4 -34.2 -3.2 282 122 B L H <> S+ 0 0 49 -3,-3.1 4,-2.6 1,-0.3 5,-0.4 0.845 91.7 67.9 -68.6 -30.1 66.6 -31.1 -3.4 283 123 B R H X S+ 0 0 137 -4,-1.8 3,-1.2 1,-0.2 4,-0.9 0.981 105.8 36.8 -55.1 -67.3 77.4 -31.2 7.8 293 133 B K H 3X S+ 0 0 67 -4,-1.5 4,-2.0 1,-0.2 5,-0.3 0.763 99.3 86.8 -59.4 -23.7 79.1 -27.8 8.1 294 134 B L H 3X S+ 0 0 52 -4,-1.5 4,-1.8 1,-0.3 -1,-0.2 0.838 98.9 31.4 -44.5 -48.0 76.9 -27.0 11.0 295 135 B H H S+ 0 0 68 -3,-1.2 4,-3.3 -4,-0.8 5,-0.9 0.769 104.6 73.9 -85.9 -23.4 79.2 -28.6 13.5 296 136 B E H X5S+ 0 0 92 -4,-0.9 4,-0.9 1,-0.2 -2,-0.2 0.938 116.6 25.5 -52.1 -35.4 82.3 -27.8 11.5 297 137 B L H X5S+ 0 0 29 -4,-2.0 4,-1.4 3,-0.2 5,-0.5 0.793 119.3 57.5-100.4 -32.1 81.5 -24.3 12.9 298 138 B Q H X5S+ 0 0 88 -4,-1.8 4,-1.1 -5,-0.3 -3,-0.2 0.937 124.0 24.7 -66.5 -41.4 79.5 -25.2 16.0 299 139 B E H <5S+ 0 0 132 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.705 123.2 49.9 -98.3 -22.6 82.4 -27.2 17.4 300 140 B K H <X S+ 0 0 24 -4,-1.4 3,-2.1 -6,-0.3 4,-1.6 0.883 97.8 78.6 -83.4 -42.5 84.2 -22.3 16.7 302 142 B S T 3< S+ 0 0 65 -4,-1.1 4,-0.4 -5,-0.5 -1,-0.1 0.784 91.8 54.1 -34.1 -46.0 83.0 -23.3 20.1 303 143 B P T 3> S+ 0 0 66 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.772 107.3 48.3 -63.3 -34.1 86.6 -23.2 21.5 304 144 B L H <> S+ 0 0 48 -3,-2.1 4,-1.8 -4,-0.3 5,-0.3 0.817 99.2 67.5 -80.0 -26.3 87.3 -19.7 20.4 305 145 B G H X S+ 0 0 26 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.705 107.6 41.1 -65.1 -17.3 84.0 -18.5 21.9 306 146 B E H > S+ 0 0 72 -4,-0.4 4,-2.5 -3,-0.4 5,-0.5 0.798 100.8 72.7 -93.8 -37.5 85.6 -19.4 25.3 307 147 B E H >X S+ 0 0 86 -4,-1.4 4,-2.2 1,-0.3 3,-0.6 0.918 113.4 26.7 -40.5 -57.7 89.0 -17.9 24.2 308 148 B M H 3X S+ 0 0 28 -4,-1.8 4,-3.1 2,-0.2 5,-0.5 0.882 107.3 77.5 -76.2 -36.4 87.5 -14.5 24.5 309 149 B R H 3X S+ 0 0 155 -4,-0.6 4,-0.6 -5,-0.3 -1,-0.2 0.826 115.5 22.5 -41.2 -35.2 85.0 -15.7 27.1 310 150 B D H X S+ 0 0 47 -4,-2.8 4,-2.6 -5,-0.3 3,-1.0 0.996 112.0 37.1 -68.3 -70.0 91.0 -5.7 36.4 319 159 B L H 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4,-1.3 0.868 91.4 83.3 -76.9 -35.9 6.3 70.4 37.7 482 120 C E H 3X S+ 0 0 71 -4,-0.6 4,-0.9 -5,-0.4 -1,-0.2 0.722 90.2 50.6 -36.5 -43.0 8.6 70.6 40.7 483 121 C P H 3> S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.826 102.3 58.1 -67.4 -39.6 5.8 72.2 43.0 484 122 C L H <> S+ 0 0 31 -3,-1.5 4,-1.2 -4,-0.4 5,-0.2 0.833 99.0 65.9 -62.7 -28.1 3.2 69.6 42.1 485 123 C R H >X S+ 0 0 65 -4,-1.3 4,-3.9 1,-0.2 3,-1.5 0.964 100.1 44.5 -57.2 -62.7 5.8 67.2 43.5 486 124 C A H 3X>S+ 0 0 49 -4,-0.9 5,-1.6 1,-0.3 4,-1.4 0.845 107.8 60.1 -51.4 -40.0 5.7 68.4 47.1 487 125 C E H 3<5S+ 0 0 73 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.829 120.5 27.5 -57.5 -33.2 1.9 68.6 46.9 488 126 C L H X5S+ 0 0 33 -4,-3.9 4,-1.9 -5,-0.2 3,-0.8 0.998 124.1 16.7 -67.9 -76.3 5.3 64.3 48.1 490 128 C E H 3X5S+ 0 0 116 -4,-1.4 4,-1.9 1,-0.2 -3,-0.2 0.885 120.5 71.5 -66.7 -30.3 4.6 65.5 51.6 491 129 C G H 3>X S+ 0 0 37 -4,-1.8 3,-0.8 -5,-0.3 4,-0.5 0.867 102.2 48.9 -38.7 -66.0 -2.1 55.3 59.0 500 138 C Q H >< S+ 0 0 135 -4,-2.0 3,-1.5 1,-0.3 -1,-0.3 0.890 113.7 48.9 -48.6 -42.2 0.8 53.6 60.7 501 139 C E H >< S+ 0 0 151 -4,-1.8 3,-1.1 -3,-0.4 -1,-0.3 0.847 110.0 50.1 -68.9 -30.9 -0.1 55.4 63.9 502 140 C K H << S+ 0 0 143 -4,-2.4 -1,-0.3 -3,-0.8 -2,-0.2 0.424 105.6 63.2 -83.3 5.1 -3.7 54.4 63.5 503 141 C L T << S+ 0 0 32 -3,-1.5 3,-0.4 -4,-0.5 -1,-0.2 0.333 73.6 87.8-108.0 4.6 -2.3 50.9 63.0 504 142 C S S X> S+ 0 0 80 -3,-1.1 3,-1.6 1,-0.2 4,-0.7 0.644 72.2 74.5 -75.0 -17.1 -0.8 50.6 66.4 505 143 C P H 3> S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 87.5 63.7 -60.1 -33.0 -4.1 49.1 67.7 506 144 C L H 3>>S+ 0 0 21 -3,-0.4 4,-1.4 3,-0.2 5,-0.8 0.713 92.7 69.1 -60.7 -22.0 -3.1 46.0 65.8 507 145 C G H <>>S+ 0 0 35 -3,-1.6 4,-1.0 2,-0.2 5,-0.7 0.992 107.2 29.0 -60.6 -78.8 -0.2 46.0 68.3 508 146 C E H <5S+ 0 0 161 -4,-0.7 5,-0.2 3,-0.2 -2,-0.2 0.802 129.8 49.0 -53.0 -29.5 -2.0 45.1 71.5 509 147 C E H X5S+ 0 0 68 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.971 119.4 27.8 -71.7 -82.8 -4.5 43.3 69.3 510 148 C M H X5S+ 0 0 31 -4,-1.4 4,-3.4 2,-0.2 3,-0.4 0.936 129.9 42.2 -41.3 -68.2 -2.4 41.1 66.9 511 149 C R H XX S+ 0 0 58 -4,-0.6 4,-1.6 -3,-0.2 3,-0.6 0.914 112.9 44.2 -49.6 -71.4 0.1 33.0 73.5 517 155 C H H 3X S+ 0 0 72 -4,-0.6 4,-0.8 1,-0.3 3,-0.3 0.869 112.2 57.8 -46.3 -37.8 -0.3 30.6 70.6 518 156 C V H >X S+ 0 0 16 -4,-2.3 3,-1.2 1,-0.3 4,-0.9 0.943 103.6 50.6 -55.2 -55.4 3.1 31.7 69.5 519 157 C D H X S+ 0 0 26 -4,-2.4 3,-2.4 -5,-0.2 4,-1.0 0.845 91.6 80.9-106.0 -61.7 10.1 23.1 70.9 526 164 C A H 3X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.4 5,-0.1 0.618 91.8 55.0 -19.1 -48.9 12.4 23.7 73.8 527 165 C P H 3> S+ 0 0 69 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.940 106.9 50.6 -60.2 -46.3 12.8 20.0 74.6 528 166 C Y H <> S+ 0 0 62 -3,-2.4 4,-3.3 2,-0.3 5,-0.3 0.886 106.6 53.0 -60.1 -41.1 13.9 19.2 71.1 529 167 C S H X S+ 0 0 9 -4,-1.0 4,-3.4 1,-0.2 3,-0.5 0.995 113.7 44.7 -53.9 -60.2 16.5 21.9 71.1 530 168 C D H X S+ 0 0 97 -4,-2.2 4,-2.0 1,-0.3 -2,-0.3 0.826 112.8 52.7 -48.4 -41.2 17.8 20.3 74.3 531 169 C E H X S+ 0 0 83 -4,-2.9 4,-0.8 1,-0.2 -1,-0.3 0.926 116.0 37.6 -65.6 -45.1 17.5 16.9 72.7 532 170 C L H X>S+ 0 0 20 -4,-3.3 4,-2.5 -3,-0.5 5,-0.6 0.854 110.9 58.5 -74.9 -39.8 19.5 17.7 69.7 533 171 C R H X5S+ 0 0 80 -4,-3.4 4,-2.0 -5,-0.3 5,-0.4 0.984 109.1 45.8 -52.2 -54.8 22.0 19.9 71.4 534 172 C Q H X5S+ 0 0 156 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.3 0.759 121.4 42.7 -58.8 -28.0 22.9 16.9 73.6 535 173 C R H X5S+ 0 0 132 -4,-0.8 4,-1.4 -5,-0.2 3,-0.3 0.963 115.0 38.9 -83.6 -72.6 23.0 14.8 70.5 536 174 C L H X5S+ 0 0 16 -4,-2.5 4,-1.2 1,-0.2 -3,-0.2 0.810 112.2 59.7 -50.2 -38.4 24.8 16.8 67.7 537 175 C A H >X S+ 0 0 7 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.947 109.8 38.8 -75.2 -51.4 35.2 13.8 65.5 544 182 C K H X S+ 0 0 70 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.969 119.7 47.3 -60.3 -56.2 38.2 15.0 67.6 545 183 C E H X S+ 0 0 115 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.886 117.0 44.4 -53.6 -41.7 38.5 11.7 69.3 546 184 C N H X S+ 0 0 34 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.786 104.7 61.8 -76.6 -26.0 38.2 9.9 65.9 547 185 C G H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 102.9 52.8 -63.2 -38.1 40.6 12.4 64.3 548 186 C G H X S+ 0 0 31 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.822 103.5 57.4 -65.2 -32.6 43.2 11.1 66.8 549 187 C A H X S+ 0 0 43 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.976 111.9 39.2 -62.5 -55.2 42.5 7.5 65.8 550 188 C R H X S+ 0 0 23 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.924 116.0 51.0 -61.5 -48.4 43.4 8.1 62.1 551 189 C L H X S+ 0 0 14 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.945 113.4 45.8 -55.1 -47.8 46.3 10.4 63.0 552 190 C A H X S+ 0 0 63 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 114.2 48.2 -61.8 -41.1 47.6 7.8 65.3 553 191 C E H X S+ 0 0 96 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.831 116.7 46.2 -67.9 -30.4 47.0 5.1 62.7 554 192 C Y H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 3,-0.4 0.982 107.7 49.8 -76.1 -64.4 48.7 7.4 60.2 555 193 C H H X S+ 0 0 70 -4,-3.1 4,-3.0 1,-0.3 5,-0.2 0.866 108.7 57.7 -41.8 -45.8 51.9 8.5 62.0 556 194 C A H X S+ 0 0 52 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.3 0.952 109.5 43.1 -51.9 -53.0 52.5 4.9 62.8 557 195 C K H X S+ 0 0 91 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.882 111.8 53.8 -63.3 -38.4 52.5 4.0 59.1 558 196 C A H X S+ 0 0 10 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.969 110.4 47.4 -59.0 -52.9 54.6 7.1 58.2 559 197 C T H X S+ 0 0 51 -4,-3.0 4,-1.3 1,-0.2 3,-0.5 0.914 108.8 53.4 -53.1 -51.4 57.2 6.1 60.7 560 198 C E H >X S+ 0 0 125 -4,-2.4 4,-1.5 1,-0.2 3,-0.6 0.900 104.9 57.2 -52.8 -43.9 57.3 2.5 59.5 561 199 C H H 3X S+ 0 0 34 -4,-2.2 4,-1.0 1,-0.3 3,-0.3 0.876 103.5 50.7 -55.7 -44.2 57.9 3.7 56.0 562 200 C L H 3< S+ 0 0 26 -4,-1.5 4,-0.3 -3,-0.5 -1,-0.3 0.790 112.5 49.0 -67.3 -24.4 61.0 5.6 56.9 563 201 C S H << S+ 0 0 51 -4,-1.3 4,-0.5 -3,-0.6 3,-0.4 0.696 100.1 63.2 -87.9 -21.5 62.2 2.4 58.6 564 202 C T H >X S+ 0 0 35 -4,-1.5 4,-1.2 -3,-0.3 3,-1.1 0.814 89.8 71.0 -71.6 -29.8 61.5 0.1 55.6 565 203 C L H 3X S+ 0 0 35 -4,-1.0 4,-3.0 1,-0.3 5,-0.4 0.830 86.4 64.8 -54.2 -39.6 64.0 2.1 53.6 566 204 C S H 3> S+ 0 0 65 -3,-0.4 4,-0.7 -4,-0.3 -1,-0.3 0.864 107.9 40.1 -53.9 -40.5 66.9 0.6 55.6 567 205 C E H <4 S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.671 120.0 46.0 -82.4 -21.9 66.1 -2.9 54.3 568 206 C K H X S+ 0 0 45 -4,-1.2 4,-1.5 -3,-0.3 5,-0.2 0.906 103.8 55.8 -86.4 -53.7 65.3 -1.7 50.7 569 207 C A H X S+ 0 0 11 -4,-3.0 4,-1.7 1,-0.2 -3,-0.1 0.907 103.7 62.4 -46.5 -41.9 68.2 0.6 50.0 570 208 C K H < S+ 0 0 160 -4,-0.7 -1,-0.2 -5,-0.4 3,-0.2 0.883 103.9 38.5 -54.8 -61.2 70.6 -2.3 50.8 571 209 C P H >4 S+ 0 0 82 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.927 114.6 55.4 -61.3 -41.2 69.8 -5.0 48.2 572 210 C A H >< S+ 0 0 39 -4,-1.5 3,-1.6 1,-0.3 4,-0.4 0.857 98.2 66.3 -58.1 -33.1 69.3 -2.4 45.4 573 211 C L T 3< S+ 0 0 16 -4,-1.7 4,-0.5 1,-0.3 -1,-0.3 0.355 85.1 68.1 -74.4 5.7 72.8 -1.2 46.2 574 212 C E T <> S+ 0 0 73 -3,-1.9 4,-1.6 3,-0.1 5,-0.4 0.736 86.6 77.7 -91.0 -20.6 74.4 -4.4 45.0 575 213 C D H <> S+ 0 0 81 -3,-1.6 4,-1.7 -4,-0.4 3,-0.2 0.921 103.4 23.3 -49.7 -72.7 73.3 -3.4 41.5 576 214 C L H > S+ 0 0 14 -4,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.921 117.3 60.7 -67.8 -44.9 75.8 -0.7 40.4 577 215 C R H 4 S+ 0 0 84 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.796 124.1 22.2 -52.6 -38.4 78.8 -1.7 42.8 578 216 C Q H >< S+ 0 0 78 -4,-1.6 3,-3.2 -3,-0.2 -1,-0.2 0.624 101.2 88.9-105.1 -15.6 79.0 -5.1 41.2 579 217 C G H 3< S+ 0 0 15 -4,-1.7 -2,-0.2 -5,-0.4 -3,-0.1 0.624 80.0 67.4 -57.4 -11.8 77.3 -4.2 37.9 580 218 C L T 3< S+ 0 0 14 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.301 103.2 47.4 -88.8 6.2 80.8 -3.3 36.8 581 219 C L S < S+ 0 0 52 -3,-3.2 2,-1.0 -261,-0.1 3,-0.3 0.731 111.2 43.4-111.4 -60.9 81.5 -7.1 37.1 582 220 C P + 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.081 64.1 123.9 -84.9 44.9 78.5 -8.8 35.3 583 221 C V + 0 0 47 -2,-1.0 -3,-0.1 2,-0.0 -4,-0.1 0.338 45.2 143.5 -77.8 12.5 78.4 -6.5 32.3 584 222 C L - 0 0 152 -3,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.057 35.0-156.9 -45.5 150.1 78.8 -10.0 30.7 585 223 C E - 0 0 104 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.444 28.3-112.7-126.8-167.5 76.9 -10.2 27.5 586 224 C S - 0 0 100 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.795 37.4-172.2 -97.1 -37.9 75.2 -12.6 25.0 587 225 C F - 0 0 94 1,-0.2 2,-0.7 2,-0.1 3,-0.0 0.929 9.9-154.7 39.5 87.1 77.5 -12.1 22.0 588 226 C K - 0 0 160 1,-0.1 -1,-0.2 4,-0.0 3,-0.1 -0.834 18.6-132.1 -90.4 116.3 75.8 -14.0 19.2 589 227 C V - 0 0 17 -2,-0.7 2,-0.7 1,-0.2 -1,-0.1 0.785 37.4-147.1 -32.3 -38.5 78.5 -15.0 16.7 590 228 C S S >> S+ 0 0 57 1,-0.1 3,-1.0 -3,-0.0 4,-0.9 -0.867 81.2 53.1 104.9 -90.7 76.0 -13.5 14.1 591 229 C F H >> S+ 0 0 62 -2,-0.7 3,-1.4 1,-0.3 4,-0.9 0.845 106.9 56.1 -41.9 -44.9 76.3 -15.5 10.9 592 230 C L H >> S+ 0 0 49 1,-0.3 4,-1.8 2,-0.2 3,-1.4 0.926 97.7 61.7 -56.9 -44.3 75.8 -18.7 12.9 593 231 C S H <> S+ 0 0 54 -3,-1.0 4,-1.4 1,-0.3 -1,-0.3 0.793 95.9 63.4 -51.7 -26.9 72.5 -17.3 14.1 594 232 C A H X S+ 0 0 99 -4,-1.4 4,-1.4 -3,-0.2 3,-1.1 0.945 117.0 64.5 -80.4 -46.4 66.8 -19.7 11.4 598 236 C Y H >X S+ 0 0 28 -4,-3.1 4,-1.0 1,-0.3 3,-0.7 0.850 104.9 37.2 -38.8 -75.7 68.0 -21.3 8.2 599 237 C T H 3< S+ 0 0 44 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.655 107.2 71.8 -59.1 -17.3 67.7 -25.0 8.9 600 238 C K H X> S+ 0 0 142 -3,-1.1 4,-1.7 -5,-0.4 3,-1.7 0.953 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219 D L S < S- 0 0 74 -4,-2.1 -665,-0.0 -5,-0.2 -666,-0.0 0.092 81.2 -86.0 -41.9 151.7 44.6 -8.2 -16.4 784 220 D P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.262 27.6-134.4 -52.4 169.4 46.0 -11.6 -15.3 785 221 D V - 0 0 71 -671,-0.1 2,-2.6 2,-0.1 -379,-0.1 -0.867 5.6-162.1-137.7 98.3 48.9 -12.3 -12.9 786 222 D L - 0 0 115 -2,-0.4 -675,-0.0 1,-0.0 -679,-0.0 -0.329 27.8-151.1 -75.9 59.4 51.4 -14.9 -14.1 787 223 D E - 0 0 89 -2,-2.6 -2,-0.1 1,-0.1 -1,-0.0 -0.049 9.0-130.3 -43.0 107.9 52.6 -15.2 -10.4 788 224 D S - 0 0 97 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.300 24.1-140.6 -59.2 140.6 56.3 -16.2 -10.6 789 225 D F + 0 0 63 1,-0.1 -1,-0.1 2,-0.0 -683,-0.1 -0.925 37.9 143.4-125.2 123.6 57.0 -19.2 -8.4 790 226 D K - 0 0 94 -2,-0.5 2,-0.3 3,-0.0 3,-0.1 0.439 45.3-112.2-107.0-120.0 60.0 -19.9 -6.2 791 227 D V > - 0 0 22 1,-0.1 4,-3.6 -2,-0.0 5,-0.3 -0.848 22.3-108.9-179.8 152.4 59.6 -21.6 -2.8 792 228 D S H > S+ 0 0 41 -2,-0.3 4,-4.0 1,-0.2 5,-0.2 0.971 123.0 59.0 -57.7 -38.8 60.1 -20.6 0.7 793 229 D F H > S+ 0 0 38 1,-0.3 4,-1.8 2,-0.3 -1,-0.2 0.856 110.9 38.6 -54.7 -46.4 63.1 -22.8 0.5 794 230 D L H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.970 115.5 51.3 -69.7 -51.7 64.5 -20.8 -2.3 795 231 D S H X S+ 0 0 47 -4,-3.6 4,-2.4 1,-0.3 5,-0.3 0.869 107.9 58.0 -49.7 -34.3 63.3 -17.6 -0.7 796 232 D A H X S+ 0 0 5 -4,-4.0 4,-2.8 -5,-0.3 -1,-0.3 0.916 105.4 46.2 -64.9 -47.8 65.1 -18.9 2.3 797 233 D L H X S+ 0 0 7 -4,-1.8 4,-2.5 -3,-0.4 5,-0.5 0.962 112.6 50.7 -60.4 -51.9 68.4 -19.2 0.6 798 234 D E H X S+ 0 0 98 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.958 116.4 39.9 -45.5 -68.9 68.1 -15.7 -1.0 799 235 D E H X S+ 0 0 65 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.835 116.9 55.0 -48.6 -40.4 67.3 -14.1 2.4 800 236 D Y H >X S+ 0 0 27 -4,-2.8 3,-1.8 -5,-0.3 4,-0.5 0.984 108.6 40.0 -60.4 -72.8 69.9 -16.3 4.0 801 237 D T H >< S+ 0 0 19 -4,-2.5 3,-1.0 1,-0.3 4,-0.4 0.784 107.0 70.2 -50.0 -26.8 73.0 -15.6 2.0 802 238 D K H >< S+ 0 0 150 -4,-2.0 3,-0.7 -5,-0.5 -1,-0.3 0.922 101.6 43.5 -57.7 -40.7 71.8 -12.1 2.1 803 239 D K H << S+ 0 0 78 -3,-1.8 3,-0.5 -4,-1.2 -1,-0.3 0.484 99.3 74.3 -84.6 -5.7 72.6 -12.0 5.8 804 240 D L T << S+ 0 0 13 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.508 92.1 52.1 -88.4 -3.9 76.0 -13.8 5.4 805 241 D N S < S+ 0 0 64 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.280 77.8 110.3-128.7 53.8 77.9 -10.8 4.0 806 242 D T 0 0 97 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.965 360.0 360.0 -88.1 -76.2 77.2 -8.0 6.5 807 243 D Q 0 0 166 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.670 360.0 360.0 -99.5 360.0 80.1 -6.9 8.6