==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 2CVX . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 664 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 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 . 31 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 2 1 3 2 3 1 3 2 2 2 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 3 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 . 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 1 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 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 76 A T 0 0 138 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -59.1 43.8 58.9 1.2 2 77 A L > + 0 0 123 1,-0.1 3,-0.5 2,-0.1 4,-0.1 0.722 360.0 84.7 -89.9 -29.8 45.4 62.3 1.4 3 78 A A T >> S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.686 83.9 60.9 -47.6 -26.2 42.1 64.0 2.4 4 79 A A H 3>>S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 5,-0.6 0.974 100.8 48.6 -67.3 -58.4 42.9 63.1 6.0 5 80 A R H <45S+ 0 0 160 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.186 122.4 41.2 -69.3 21.0 46.1 65.1 6.3 6 81 A I H <>5S+ 0 0 86 -3,-0.7 4,-1.8 -4,-0.1 -2,-0.2 0.561 115.3 38.5-124.8 -67.6 44.0 67.9 4.8 7 82 A A H X5S+ 0 0 34 -4,-2.8 4,-1.0 1,-0.2 -3,-0.2 0.747 119.1 49.4 -64.6 -31.0 40.5 68.1 6.3 8 83 A I H X5S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.4 3,-0.3 0.910 108.3 53.3 -70.8 -46.7 41.7 67.2 9.8 9 84 A S H >< S+ 0 0 39 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.888 108.0 50.9 -53.4 -43.9 42.8 72.1 13.9 13 88 A K H 3< S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 115.0 42.7 -65.4 -29.7 43.1 75.6 12.4 14 89 A Q H 3< S+ 0 0 125 -4,-1.1 2,-0.3 -3,-0.4 -1,-0.2 0.384 108.1 67.6-102.7 1.7 39.4 76.3 13.2 15 90 A T S << S- 0 0 17 -4,-0.8 74,-0.1 -3,-0.7 75,-0.1 -0.934 85.6-105.7-123.5 146.8 39.3 74.8 16.7 16 91 A T - 0 0 63 -2,-0.3 75,-0.1 73,-0.3 -2,-0.1 -0.384 25.2-148.0 -61.7 143.1 40.9 75.8 20.0 17 92 A K + 0 0 121 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.957 69.2 85.0 -78.6 -56.3 43.7 73.5 21.1 18 93 A Q >> - 0 0 109 1,-0.1 4,-1.9 2,-0.1 3,-1.5 -0.318 65.6-149.4 -67.8 116.4 43.6 73.4 24.9 19 94 A F H 3> S+ 0 0 3 1,-0.3 4,-2.7 -2,-0.3 3,-0.3 0.880 95.1 51.6 -48.5 -55.4 41.2 70.8 26.2 20 95 A S H 3> S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.716 110.9 51.7 -58.8 -20.0 40.1 72.6 29.4 21 96 A K H <> S+ 0 0 101 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.845 106.8 49.0 -87.8 -38.4 39.4 75.7 27.3 22 97 A V H X S+ 0 0 3 -4,-1.9 4,-2.9 -3,-0.3 5,-0.2 0.918 113.0 52.3 -60.5 -40.9 37.2 73.8 24.8 23 98 A V H X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.924 107.9 48.9 -59.2 -48.4 35.5 72.5 28.0 24 99 A E H X S+ 0 0 48 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.957 112.5 49.9 -55.1 -50.0 35.1 76.1 29.4 25 100 A D H X S+ 0 0 55 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.937 112.9 44.6 -55.3 -52.0 33.6 77.1 26.0 26 101 A L H >< S+ 0 0 1 -4,-2.9 14,-2.0 1,-0.2 3,-0.7 0.897 116.2 48.5 -57.3 -41.5 31.1 74.2 25.9 27 102 A Y H 3< S+ 0 0 38 -4,-2.8 -1,-0.2 12,-0.2 -2,-0.2 0.785 112.4 44.9 -72.1 -30.9 30.2 74.8 29.6 28 103 A R H 3< S+ 0 0 143 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.366 85.0 136.0 -98.1 4.4 29.6 78.6 29.3 29 104 A Y << - 0 0 40 -3,-0.7 9,-1.9 -4,-0.5 2,-0.4 -0.195 36.3-163.8 -59.9 139.2 27.6 78.2 26.1 30 105 A V E -A 37 0A 68 7,-0.3 2,-0.8 8,-0.1 3,-0.1 -0.989 27.3-117.7-125.9 132.3 24.4 80.2 25.8 31 106 A N E >>> -A 36 0A 56 5,-3.2 4,-1.8 -2,-0.4 5,-1.0 -0.640 27.5-157.4 -69.9 110.2 21.7 79.5 23.2 32 107 A A T 345S+ 0 0 77 -2,-0.8 -1,-0.2 1,-0.2 53,-0.0 0.855 83.5 60.5 -62.2 -38.0 21.8 82.8 21.3 33 108 A A T 345S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.703 124.3 18.4 -66.0 -22.1 18.3 82.5 19.8 34 109 A T T <45S- 0 0 90 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.449 97.9-122.7-125.1 -8.0 16.6 82.4 23.3 35 110 A G T <5 + 0 0 53 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.714 61.4 149.1 65.6 23.8 19.4 83.8 25.6 36 111 A K E < -A 31 0A 137 -5,-1.0 -5,-3.2 1,-0.0 2,-0.4 -0.734 56.0-115.9 -91.6 132.4 19.1 80.6 27.6 37 112 A P E -A 30 0A 100 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.551 37.5-179.1 -64.6 118.7 22.3 79.2 29.4 38 113 A A - 0 0 34 -9,-1.9 -9,-0.2 -2,-0.4 -8,-0.1 -0.529 6.4-167.6-124.7 64.3 22.9 75.9 27.6 39 114 A P - 0 0 52 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.243 10.4-163.5 -60.2 136.3 25.9 74.2 29.1 40 115 A M S S+ 0 0 38 -14,-2.0 2,-0.4 -17,-0.2 -13,-0.2 0.314 73.9 61.7-104.4 4.9 27.1 71.2 27.0 41 116 A I S S- 0 0 2 -15,-0.2 94,-0.3 94,-0.2 93,-0.1 -0.992 88.8-114.4-130.7 136.5 29.2 69.8 29.9 42 117 A S > - 0 0 18 92,-1.6 4,-2.7 -2,-0.4 5,-0.2 -0.372 25.0-117.1 -66.2 150.3 27.8 68.6 33.2 43 118 A D H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 115.0 55.8 -48.8 -43.1 28.8 70.4 36.4 44 119 A D H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 111.2 39.3 -62.0 -52.0 30.5 67.3 37.6 45 120 A V H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 113.1 57.2 -69.8 -36.0 32.8 66.8 34.6 46 121 A Y H X S+ 0 0 20 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.954 109.7 44.5 -58.4 -49.9 33.4 70.6 34.4 47 122 A N H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.883 110.6 54.2 -63.7 -39.9 34.7 70.7 38.0 48 123 A I H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.922 111.2 46.3 -57.1 -46.9 36.8 67.5 37.5 49 124 A V H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.884 111.9 50.4 -64.9 -40.8 38.5 69.1 34.4 50 125 A M H >< S+ 0 0 38 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.903 110.1 49.8 -66.5 -39.4 39.1 72.4 36.3 51 126 A E T 3< S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.441 123.7 31.5 -77.1 -1.5 40.7 70.6 39.3 52 127 A N T <> S+ 0 0 40 -3,-1.0 4,-2.3 -4,-0.3 5,-0.4 -0.014 76.2 133.6-143.4 28.9 43.0 68.6 37.0 53 128 A K H <> S+ 0 0 85 -3,-0.9 4,-2.8 1,-0.2 5,-0.3 0.878 71.1 49.0 -60.5 -46.0 43.6 70.9 34.0 54 129 A D H > S+ 0 0 132 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 115.6 44.4 -58.2 -50.7 47.4 70.5 33.7 55 130 A K H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.954 119.2 39.5 -58.4 -58.3 47.3 66.7 33.8 56 131 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.935 116.8 51.4 -61.2 -46.7 44.3 66.2 31.4 57 132 A N H >< S+ 0 0 22 -4,-2.8 3,-0.7 -5,-0.4 -1,-0.2 0.928 115.0 41.9 -53.8 -47.5 45.5 69.0 29.1 58 133 A S H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.704 103.5 66.1 -78.8 -23.1 49.0 67.5 28.9 59 134 A A H 3< S+ 0 0 28 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.754 82.3 98.8 -65.4 -23.5 47.9 63.8 28.6 60 135 A I << - 0 0 13 -4,-0.9 2,-0.7 -3,-0.7 3,-0.1 -0.509 56.8-162.1 -81.0 125.2 46.3 64.6 25.2 61 136 A V > - 0 0 57 -2,-0.3 3,-1.7 1,-0.1 4,-0.1 -0.876 3.5-172.1-103.7 101.2 48.2 63.7 22.0 62 137 A Y G > S+ 0 0 21 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.652 79.7 75.7 -71.2 -15.3 46.6 65.7 19.1 63 138 A D G > S+ 0 0 113 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.792 82.6 70.8 -57.4 -29.6 48.7 63.8 16.6 64 139 A R G X S+ 0 0 45 -3,-1.7 3,-1.8 1,-0.3 -1,-0.3 0.609 73.5 81.4 -70.2 -11.3 46.2 61.0 17.3 65 140 A D G X S+ 0 0 0 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.664 84.7 64.3 -62.6 -15.6 43.6 63.0 15.4 66 141 A F G < S+ 0 0 59 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.157 75.8 84.1 -96.4 13.8 45.3 61.5 12.3 67 142 A Q G < S+ 0 0 78 -3,-1.8 2,-0.4 52,-0.1 -1,-0.2 0.618 79.8 86.1 -78.7 -16.1 44.3 57.9 13.3 68 143 A Y S < S- 0 0 11 -3,-0.6 472,-0.1 -4,-0.2 -60,-0.1 -0.724 73.6-139.8 -96.0 132.8 41.0 58.7 11.6 69 144 A S > - 0 0 26 -2,-0.4 4,-3.0 470,-0.3 5,-0.2 -0.087 34.8 -87.5 -77.8-175.9 40.4 58.3 7.8 70 145 A Y H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.947 126.0 31.0 -63.8 -61.6 38.5 60.6 5.5 71 146 A F H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.774 118.6 60.8 -69.8 -26.6 35.0 59.3 5.8 72 147 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.939 109.6 38.6 -64.0 -50.4 35.8 58.3 9.4 73 148 A F H X S+ 0 0 4 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.819 113.5 56.4 -69.6 -34.6 36.6 61.9 10.4 74 149 A K H X S+ 0 0 103 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.835 105.0 53.0 -66.0 -31.7 33.7 63.2 8.3 75 150 A T H X S+ 0 0 16 -4,-1.8 4,-1.8 2,-0.2 5,-0.4 0.916 111.7 45.6 -65.4 -45.2 31.4 60.9 10.3 76 151 A L H X>S+ 0 0 4 -4,-1.5 5,-2.5 2,-0.2 4,-2.1 0.906 113.4 49.7 -60.6 -47.6 32.7 62.4 13.5 77 152 A E H <5S+ 0 0 47 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.921 112.0 47.2 -59.4 -48.6 32.5 66.0 12.2 78 153 A R H <5S+ 0 0 194 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.898 134.7 0.9 -64.1 -44.9 28.9 65.7 11.0 79 154 A S H <5S+ 0 0 62 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.584 126.6 43.9-128.5 -12.1 27.3 64.0 14.0 80 155 A Y T <5S+ 0 0 6 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.887 82.3 82.7-108.3 -53.9 29.7 63.4 16.9 81 156 A L S > - 0 0 16 -2,-0.3 4,-2.3 -75,-0.1 3,-0.9 -0.726 40.8-102.5 -93.6 159.4 38.5 67.9 18.1 92 167 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.888 124.5 54.6 -47.5 -46.1 38.4 64.1 18.1 93 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.853 108.8 49.4 -55.8 -37.3 40.9 64.0 21.0 94 169 A H H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.898 108.4 51.3 -69.9 -45.3 38.6 66.3 23.0 95 170 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.958 112.0 49.8 -50.4 -50.9 35.5 64.1 22.3 96 171 A I H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.924 111.9 44.9 -58.8 -50.0 37.6 61.1 23.5 97 172 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.887 112.4 53.0 -65.0 -39.5 38.7 62.7 26.8 98 173 A R H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.945 111.1 46.6 -56.9 -50.1 35.2 64.1 27.4 99 174 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.930 110.4 53.5 -55.0 -47.1 33.8 60.5 27.0 100 175 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.868 114.6 40.4 -60.4 -40.3 36.6 59.1 29.3 101 176 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.815 109.6 59.7 -75.1 -37.9 35.7 61.6 32.0 102 177 A G H < S+ 0 0 2 -4,-2.9 32,-0.3 -5,-0.2 -2,-0.2 0.850 115.5 35.5 -58.3 -34.6 32.0 61.2 31.4 103 178 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.908 130.0 30.2 -82.4 -47.2 32.4 57.4 32.2 104 179 A H H >< S+ 0 0 12 -4,-2.1 3,-1.5 -5,-0.2 -3,-0.2 0.683 77.3 177.0 -95.9 -23.1 35.0 57.6 34.9 105 180 A G T 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 6,-0.1 -0.266 72.0 7.3 60.5-129.1 34.5 60.9 36.7 106 181 A R T 3 S+ 0 0 129 1,-0.1 2,-1.8 2,-0.1 -1,-0.2 0.668 107.9 91.6 -64.6 -19.0 36.9 61.4 39.7 107 182 A D <> + 0 0 64 -3,-1.5 4,-1.8 1,-0.2 -1,-0.1 -0.599 53.3 171.6 -76.8 85.0 38.9 58.3 38.9 108 183 A I H > S+ 0 0 18 -2,-1.8 4,-2.8 2,-0.2 5,-0.2 0.867 71.7 56.3 -69.2 -38.0 41.4 60.2 36.7 109 184 A E H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 109.1 47.2 -60.4 -44.3 43.8 57.2 36.3 110 185 A A H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 113.1 50.3 -61.0 -39.4 40.9 55.1 34.9 111 186 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.891 109.8 48.9 -65.2 -42.2 40.0 58.0 32.6 112 187 A L H X S+ 0 0 24 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.887 110.4 52.1 -64.1 -41.8 43.5 58.4 31.3 113 188 A E H X S+ 0 0 81 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.937 113.1 44.2 -58.0 -49.3 43.7 54.6 30.6 114 189 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.884 111.4 54.2 -64.3 -40.9 40.4 54.9 28.6 115 190 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.938 111.9 44.1 -57.2 -49.2 41.6 58.0 26.8 116 191 A N H X S+ 0 0 61 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.955 115.1 47.1 -60.6 -51.7 44.8 56.3 25.7 117 192 A L H <>S+ 0 0 15 -4,-2.5 5,-3.1 1,-0.2 6,-0.5 0.877 116.6 43.2 -61.3 -41.0 43.2 53.1 24.6 118 193 A M H ><5S+ 0 0 6 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.879 114.1 49.3 -71.6 -41.2 40.4 54.8 22.7 119 194 A S H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.834 112.4 49.3 -69.0 -31.9 42.6 57.4 21.0 120 195 A L T 3<5S- 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.379 119.1-120.4 -82.8 0.4 44.9 54.5 20.0 121 196 A K T < 5 + 0 0 24 -3,-1.0 -3,-0.2 2,-0.2 256,-0.2 0.794 69.3 136.4 67.2 37.3 41.8 52.7 18.7 122 197 A Y S > - 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0 0 6 -3,-0.7 2,-0.3 60,-0.1 -4,-0.0 -0.942 65.2-170.8-153.2 169.5 5.9 30.4 28.4 288 363 A Y >> + 0 0 70 -2,-0.3 4,-1.0 45,-0.0 3,-0.7 -0.875 47.6 20.8-150.5 175.1 8.4 28.7 25.9 289 364 A G H >> S- 0 0 19 -2,-0.3 4,-2.2 1,-0.2 3,-0.6 -0.171 122.8 -13.3 60.9-145.6 9.6 25.2 24.9 290 365 A D H 3> S+ 0 0 136 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.839 136.4 59.0 -59.5 -39.9 7.5 22.1 25.7 291 366 A E H <> S+ 0 0 142 -3,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.868 109.1 44.7 -57.8 -38.3 5.4 24.1 28.1 292 367 A F H S+ 0 0 15 -4,-2.7 5,-2.2 1,-0.2 6,-0.3 0.874 112.0 53.7 -56.4 -37.4 -5.8 25.7 22.6 300 375 A E H ><5S+ 0 0 31 -4,-2.2 3,-0.9 -5,-0.3 5,-0.2 0.907 111.4 42.5 -64.0 -44.0 -5.5 24.3 19.1 301 376 A K H 3<5S+ 0 0 177 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 106.0 62.9 -73.4 -32.5 -7.6 21.2 19.9 302 377 A E T 3<5S- 0 0 97 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.495 113.7-119.4 -71.8 0.0 -10.1 23.3 21.8 303 378 A G T < 5 + 0 0 62 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.826 67.2 141.8 69.7 35.4 -10.8 25.1 18.6 304 379 A R < + 0 0 92 -5,-2.2 -27,-0.4 2,-0.0 2,-0.2 0.491 60.9 29.6 -90.3 -1.7 -9.8 28.5 19.9 305 380 A G S S- 0 0 35 -6,-0.3 2,-0.5 -5,-0.2 -29,-0.2 -0.539 87.1 -85.5-136.6-161.1 -8.1 29.7 16.7 306 381 A K E -N 275 0G 150 -31,-2.4 -31,-2.8 -2,-0.2 2,-0.3 -0.982 38.3-145.1-124.1 120.1 -8.0 29.6 13.0 307 382 A T E +N 274 0G 77 -2,-0.5 2,-0.2 -33,-0.2 -33,-0.2 -0.614 26.7 157.2 -89.3 139.2 -6.1 26.8 11.3 308 383 A I E -N 273 0G 56 -35,-2.6 -35,-2.3 -2,-0.3 2,-0.4 -0.810 51.6 -74.1-137.2-176.3 -4.1 27.1 8.1 309 384 A K E >> -N 272 0G 105 -2,-0.2 3,-1.1 -37,-0.2 4,-0.9 -0.754 38.0-140.0 -79.0 129.6 -1.2 25.4 6.3 310 385 A A H >> S+ 0 0 0 -39,-2.1 4,-2.3 -2,-0.4 3,-1.2 0.929 100.9 59.4 -56.3 -44.2 2.0 26.4 8.0 311 386 A Q H 3> S+ 0 0 68 -40,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.652 95.0 65.3 -68.7 -11.7 3.9 26.6 4.7 312 387 A K H <> S+ 0 0 118 -3,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.896 107.1 40.0 -69.0 -44.2 1.4 29.3 3.7 313 388 A L H -j 259 0D 0 325,-3.1 4,-2.1 -2,-0.4 5,-0.2 -0.769 13.4-160.0 -89.5 111.4 14.1 32.2 17.9 332 407 A K H > S+ 0 0 0 -73,-1.1 4,-2.2 -2,-0.8 5,-0.2 0.798 88.3 50.4 -56.1 -40.9 12.2 32.6 21.2 333 408 A D H > S+ 0 0 1 -74,-0.7 4,-3.5 2,-0.2 5,-0.3 0.944 111.1 47.1 -74.2 -45.1 13.0 29.2 22.6 334 409 A A H > S+ 0 0 3 321,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 114.1 49.8 -54.2 -48.0 16.8 29.4 22.0 335 410 A C H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.908 117.8 39.1 -56.8 -48.3 16.8 33.0 23.6 336 411 A N H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.924 116.8 47.1 -74.0 -45.7 14.9 31.8 26.6 337 412 A R H 3< S+ 0 0 103 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.866 118.0 42.1 -64.5 -37.8 16.6 28.4 27.1 338 413 A K T 3< S+ 0 0 4 -4,-2.2 2,-0.5 -5,-0.3 -1,-0.2 -0.138 90.9 110.7-105.6 37.8 20.1 29.8 26.8 339 414 A S X - 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0 0 1 -2,-0.3 7,-0.1 1,-0.2 2,-0.1 -0.318 42.3 -99.9-107.8-150.0 14.9 41.2 21.2 351 426 A N > - 0 0 4 5,-0.4 3,-1.2 -2,-0.2 -1,-0.2 -0.445 44.9 -67.4-125.7-167.0 15.8 44.8 20.2 352 427 A L T 3 S+ 0 0 30 1,-0.3 -128,-0.1 -208,-0.2 -179,-0.1 0.829 131.8 29.6 -55.4 -34.8 16.1 47.1 17.2 353 428 A C T 3 S- 0 0 24 -181,-0.1 -1,-0.3 -130,-0.1 -179,-0.0 0.236 107.1-114.7-118.3 13.8 19.1 45.2 15.8 354 429 A C S < S+ 0 0 0 -3,-1.2 277,-0.3 2,-0.1 275,-0.3 0.771 89.5 99.4 63.9 32.2 18.5 41.7 17.1 355 430 A E + 0 0 5 275,-0.1 273,-2.5 273,-0.1 2,-0.4 0.664 60.8 78.6-116.8 -26.6 21.5 41.5 19.5 356 431 A I + 0 0 0 271,-0.2 2,-0.4 173,-0.1 -5,-0.4 -0.691 49.0 179.6 -85.7 131.4 20.0 42.2 22.9 357 432 A V + 0 0 0 -2,-0.4 2,-0.3 -7,-0.1 -16,-0.2 -0.886 27.6 141.8-129.9 96.7 18.1 39.4 24.7 358 433 A E - 0 0 0 -9,-0.5 -9,-0.3 -2,-0.4 -10,-0.3 -0.970 52.4-100.1-141.3 148.7 16.9 40.8 27.9 359 434 A Y - 0 0 39 -2,-0.3 2,-0.3 -12,-0.1 -12,-0.1 -0.521 39.5-180.0 -74.3 134.9 13.7 40.5 30.0 360 435 A S + 0 0 1 -14,-0.3 5,-0.2 -2,-0.2 -12,-0.2 -0.978 6.9 171.2-136.7 144.7 11.1 43.2 29.9 361 436 A A B > -O 364 0H 11 3,-2.7 3,-1.7 -2,-0.3 -214,-0.5 -0.909 54.2 -85.7-140.1 169.5 7.7 43.7 31.6 362 437 A P T 3 S+ 0 0 66 0, 0.0 -213,-0.1 0, 0.0 57,-0.1 0.843 133.0 35.0 -45.1 -37.7 5.2 46.6 31.9 363 438 A D T 3 S+ 0 0 79 1,-0.2 2,-0.4 -214,-0.1 59,-0.1 0.415 116.7 60.2 -96.0 -4.2 7.2 48.0 34.9 364 439 A E B < -O 361 0H 10 -3,-1.7 -3,-2.7 58,-0.1 2,-0.6 -0.922 57.2-174.0-134.5 113.8 10.7 47.0 33.5 365 440 A T - 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0 0 14 -4,-1.5 2,-0.6 -5,-0.2 -274,-0.2 -0.286 62.4-135.6 -70.6 144.3 23.6 57.1 32.9 414 489 A Y - 0 0 107 -276,-3.2 -273,-0.3 -2,-0.0 -274,-0.1 -0.915 23.5-145.7 -96.0 120.1 20.5 59.3 32.7 415 490 A Y - 0 0 28 -2,-0.6 -276,-0.0 1,-0.1 6,-0.0 -0.774 6.2-149.9 -92.1 126.1 17.4 57.1 32.2 416 491 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.799 82.3 19.9 -64.5 -32.3 14.6 58.5 30.0 417 492 A V S >> S- 0 0 13 -52,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.962 78.1-118.2-140.2 151.2 11.8 56.7 31.9 418 493 A E H 3> S+ 0 0 104 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.798 109.8 64.4 -59.6 -34.8 11.6 55.0 35.3 419 494 A E H 3> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -54,-1.5 0.833 104.0 49.1 -60.1 -34.4 11.0 51.5 33.8 420 495 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 -56,-0.2 5,-0.2 0.883 110.2 49.0 -69.2 -44.7 14.5 51.7 32.3 421 496 A R H X S+ 0 0 103 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.951 111.9 49.7 -62.2 -49.2 16.2 52.8 35.5 422 497 A K H X S+ 0 0 59 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.903 114.2 44.7 -54.1 -49.6 14.5 50.0 37.5 423 498 A S H X S+ 0 0 1 -4,-1.6 4,-2.2 -58,-0.3 5,-0.4 0.952 115.0 46.0 -59.9 -55.2 15.5 47.3 35.0 424 499 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 -59,-0.3 -2,-0.2 0.867 112.2 48.5 -64.6 -39.8 19.1 48.4 34.6 425 500 A M H < S+ 0 0 55 -4,-2.3 58,-0.5 -5,-0.2 -1,-0.2 0.830 113.6 49.1 -70.6 -33.4 19.9 48.9 38.3 426 501 A R H < S+ 0 0 74 -4,-1.5 58,-0.9 -5,-0.3 57,-0.6 0.919 131.1 12.8 -67.1 -47.0 18.4 45.4 39.2 427 502 A H H < S- 0 0 1 -4,-2.2 98,-2.2 56,-0.2 99,-0.2 0.608 79.4-155.8-114.3 -21.1 20.2 43.3 36.5 428 503 A R < - 0 0 4 -4,-2.2 98,-0.2 -5,-0.4 -4,-0.1 0.761 18.9-175.4 51.6 45.1 22.9 45.5 35.0 429 504 A P - 0 0 0 0, 0.0 -60,-0.4 0, 0.0 2,-0.3 -0.347 2.1-169.7 -71.6 159.5 23.4 43.8 31.6 430 505 A I - 0 0 0 96,-1.7 2,-0.4 -62,-0.1 -60,-0.2 -0.892 13.2-140.2-141.5 163.0 26.1 45.1 29.3 431 506 A A E -d 370 0C 0 -62,-1.8 -60,-1.7 -2,-0.3 2,-0.4 -0.906 13.6-174.9-138.8 107.9 27.0 44.4 25.6 432 507 A L E +de 371 528C 0 95,-1.6 97,-2.1 -2,-0.4 2,-0.2 -0.809 14.9 168.7 -93.6 139.5 30.4 44.0 24.3 433 508 A G E -d 372 0C 2 -62,-2.6 -60,-2.4 -2,-0.4 2,-0.3 -0.706 21.5-129.2-132.6-167.0 30.9 43.7 20.6 434 509 A V E -d 373 0C 1 -62,-0.3 2,-0.3 97,-0.3 111,-0.3 -0.890 9.4-160.5-139.9 159.2 33.7 43.7 18.1 435 510 A Q E +d 374 0C 0 -62,-2.5 -60,-2.2 -2,-0.3 109,-0.2 -0.977 67.4 33.3-140.9 159.3 34.6 45.4 14.8 436 511 A G > + 0 0 0 107,-2.6 4,-2.0 -2,-0.3 110,-0.1 0.862 56.8 143.6 65.9 40.6 37.1 44.5 12.0 437 512 A L H > S+ 0 0 0 108,-1.8 4,-1.9 106,-0.3 5,-0.2 0.896 79.9 50.7 -64.2 -42.5 36.8 40.7 12.1 438 513 A A H > S+ 0 0 1 109,-0.5 4,-2.4 107,-0.4 3,-0.4 0.961 110.1 47.7 -61.1 -50.5 37.2 40.9 8.4 439 514 A D H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.921 110.2 53.7 -54.9 -46.1 40.3 43.2 8.6 440 515 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.838 109.4 46.8 -56.3 -41.1 41.8 40.8 11.2 441 516 A F H <>S+ 0 0 2 -4,-1.9 5,-3.2 -3,-0.4 4,-0.3 0.876 115.1 47.7 -70.7 -40.0 41.4 37.8 8.9 442 517 A M H ><5S+ 0 0 12 -4,-2.4 3,-3.0 3,-0.2 -2,-0.2 0.995 110.8 48.6 -62.6 -61.9 42.8 39.7 6.0 443 518 A L H 3<5S+ 0 0 65 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.847 113.6 48.4 -44.9 -45.1 45.9 41.1 7.9 444 519 A L T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.454 115.0-116.6 -79.0 -2.0 46.7 37.7 9.2 445 520 A R T < 5 + 0 0 96 -3,-3.0 -3,-0.2 -4,-0.3 -2,-0.1 0.791 68.9 139.6 70.9 28.3 46.4 36.1 5.8 446 521 A L < - 0 0 31 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.919 49.9-135.1-107.0 118.0 43.4 34.0 6.9 447 522 A P > - 0 0 25 0, 0.0 3,-1.4 0, 0.0 6,-0.5 -0.428 26.0-114.4 -66.6 148.6 40.5 33.6 4.4 448 523 A F T 3 S+ 0 0 16 153,-0.3 154,-0.1 1,-0.3 153,-0.0 0.844 114.4 40.8 -55.3 -40.9 37.1 34.0 6.0 449 524 A D T 3 S+ 0 0 53 152,-0.3 -1,-0.3 4,-0.1 153,-0.1 0.475 90.5 115.7 -88.8 -5.3 36.1 30.4 5.4 450 525 A S S <> S- 0 0 17 -3,-1.4 4,-2.3 151,-0.1 5,-0.1 -0.159 77.7-117.1 -61.6 158.9 39.4 28.7 6.2 451 526 A E H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.794 117.9 54.8 -64.7 -31.1 39.9 26.4 9.2 452 527 A E H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 107.4 47.3 -67.2 -49.6 42.3 29.0 10.6 453 528 A A H > S+ 0 0 0 -6,-0.5 4,-2.5 1,-0.2 5,-0.2 0.926 110.4 54.6 -55.3 -47.1 39.7 31.8 10.4 454 529 A R H X S+ 0 0 91 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.878 111.6 44.5 -51.4 -44.0 37.2 29.4 12.1 455 530 A L H X S+ 0 0 51 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.896 111.4 50.6 -72.7 -43.1 39.7 28.9 14.9 456 531 A L H X S+ 0 0 7 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.978 109.1 53.0 -57.3 -57.3 40.6 32.5 15.4 457 532 A N H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.849 111.3 46.9 -38.4 -51.2 36.9 33.5 15.5 458 533 A I H X S+ 0 0 15 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.897 115.0 44.5 -62.8 -44.6 36.3 30.9 18.3 459 534 A Q H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.882 110.3 54.5 -78.0 -29.5 39.3 31.9 20.3 460 535 A I H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.959 112.7 43.2 -61.8 -52.5 38.6 35.7 20.0 461 536 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.829 111.4 55.2 -65.7 -31.4 35.0 35.2 21.4 462 537 A E H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 111.1 44.3 -64.4 -43.6 36.2 32.9 24.1 463 538 A T H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.930 112.6 50.4 -71.7 -42.3 38.7 35.4 25.4 464 539 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.970 115.3 43.3 -57.3 -54.4 36.3 38.4 25.2 465 540 A Y H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.887 116.0 48.5 -56.5 -42.9 33.6 36.4 27.1 466 541 A H H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.954 113.4 47.2 -63.6 -50.7 36.2 35.1 29.6 467 542 A A H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 5,-0.3 0.940 112.7 49.2 -53.0 -52.3 37.7 38.6 30.2 468 543 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.873 113.3 44.8 -61.5 -41.4 34.2 40.2 30.6 469 544 A M H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.845 112.8 52.8 -71.4 -33.8 33.0 37.6 33.2 470 545 A E H X S+ 0 0 57 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.961 113.6 42.6 -64.0 -48.0 36.4 37.8 35.0 471 546 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.924 114.4 51.0 -63.3 -43.4 36.1 41.7 35.2 472 547 A S H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 51,-1.1 0.870 109.4 50.8 -64.3 -34.5 32.4 41.3 36.2 473 548 A C H X S+ 0 0 3 -4,-2.2 4,-1.5 49,-0.2 -2,-0.2 0.929 108.1 53.1 -66.9 -45.9 33.4 38.8 38.9 474 549 A E H X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.917 108.6 49.4 -48.5 -48.6 36.0 41.3 40.2 475 550 A L H X S+ 0 0 20 -4,-2.4 4,-3.9 1,-0.2 5,-0.3 0.849 107.2 54.3 -65.4 -36.4 33.3 44.1 40.4 476 551 A A H X S+ 0 0 5 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.797 103.8 56.5 -65.8 -29.7 31.0 41.8 42.3 477 552 A Q H < S+ 0 0 100 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.876 118.3 33.1 -68.9 -34.4 33.8 41.2 44.8 478 553 A K H < S+ 0 0 144 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.901 137.1 19.3 -81.5 -48.3 34.0 45.0 45.4 479 554 A D H < S- 0 0 108 -4,-3.9 -3,-0.2 1,-0.2 -2,-0.2 0.417 108.3-103.0-110.9 0.1 30.4 46.0 45.0 480 555 A G < - 0 0 26 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.1 0.056 47.3 -67.5 88.8 154.3 28.3 42.8 45.4 481 556 A P - 0 0 56 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.206 68.6 -77.7 -69.9 166.1 26.6 40.8 42.7 482 557 A Y > - 0 0 5 40,-1.8 3,-2.1 -55,-0.1 4,-0.2 -0.342 52.9-102.3 -65.1 153.9 23.7 42.3 40.7 483 558 A E T 3 S+ 0 0 135 -57,-0.6 3,-0.3 -58,-0.5 -56,-0.2 0.730 118.9 42.3 -51.9 -27.6 20.4 42.2 42.7 484 559 A T T 3 S+ 0 0 19 -58,-0.9 -1,-0.3 1,-0.2 4,-0.1 0.102 77.1 113.9-116.7 22.3 19.0 39.2 40.9 485 560 A F X + 0 0 16 -3,-2.1 3,-1.8 2,-0.1 6,-0.5 0.850 55.1 86.2 -57.7 -43.1 22.1 37.0 40.7 486 561 A Q T 3 S+ 0 0 174 -3,-0.3 4,-0.0 1,-0.3 6,-0.0 -0.487 93.6 25.2 -75.0 129.8 20.8 34.3 43.0 487 562 A G T 3 S+ 0 0 51 1,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.107 96.8 126.0 102.3 -14.9 18.7 31.7 41.2 488 563 A S S <> S- 0 0 0 -3,-1.8 4,-0.9 -4,-0.1 -1,-0.4 -0.380 74.2-116.3 -79.9 152.2 20.6 32.4 38.0 489 564 A P T >4>S+ 0 0 10 0, 0.0 5,-2.9 0, 0.0 3,-1.5 0.904 117.8 53.7 -46.1 -50.2 22.3 29.8 35.8 490 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.8 3,-0.2 31,-0.1 0.866 102.3 57.6 -55.6 -41.0 25.7 31.6 36.4 491 566 A S G 345S+ 0 0 15 -6,-0.5 -1,-0.3 -3,-0.4 -5,-0.1 0.718 107.3 49.1 -59.9 -21.5 25.0 31.3 40.2 492 567 A Q G <<5S- 0 0 124 -3,-1.5 -1,-0.3 -4,-0.9 -2,-0.2 0.331 127.7-100.6-100.9 5.6 24.8 27.6 39.6 493 568 A G T < 5S+ 0 0 6 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.617 80.0 137.9 82.9 15.5 28.0 27.5 37.7 494 569 A I < - 0 0 72 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.873 29.2-178.1-101.4 113.6 26.2 27.4 34.3 495 570 A L >> - 0 0 3 -2,-0.7 4,-1.3 -3,-0.1 3,-0.6 -0.476 44.5 -87.4-105.7 171.7 27.8 29.7 31.7 496 571 A Q H >> S+ 0 0 2 1,-0.2 3,-1.8 2,-0.2 4,-0.8 0.928 124.7 48.6 -51.1 -57.4 26.7 30.4 28.2 497 572 A F H >4>S+ 0 0 0 126,-0.4 5,-2.5 1,-0.3 3,-0.5 0.785 105.2 60.3 -57.0 -30.3 28.6 27.4 26.5 498 573 A D H X45S+ 0 0 48 -3,-0.6 3,-2.0 1,-0.2 -1,-0.3 0.874 99.5 56.0 -60.7 -37.0 27.3 25.1 29.1 499 574 A M H <<5S+ 0 0 26 -3,-1.8 -1,-0.2 -4,-1.3 -2,-0.2 0.684 105.3 51.5 -74.2 -18.5 23.7 25.9 27.9 500 575 A W T <<5S- 0 0 26 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.301 119.2-120.0 -87.2 5.1 24.8 24.9 24.4 501 576 A D T < 5 + 0 0 154 -3,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.886 69.6 133.5 53.5 44.5 26.0 21.7 26.2 502 577 A Q < - 0 0 88 -5,-2.5 -1,-0.2 121,-0.1 -2,-0.1 -0.901 60.1-124.0-124.7 152.6 29.5 22.3 25.0 503 578 A K - 0 0 188 -2,-0.3 2,-0.0 -3,-0.1 0, 0.0 -0.723 39.6-114.7 -79.5 140.9 33.0 22.3 26.3 504 579 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.323 26.5-107.1 -71.5 160.8 34.8 25.7 25.8 505 580 A Y - 0 0 114 -47,-0.2 -46,-0.1 1,-0.1 -2,-0.0 0.901 46.9-135.2 -57.0 -42.0 37.8 25.8 23.5 506 581 A G + 0 0 47 -47,-0.0 -1,-0.1 2,-0.0 -47,-0.0 0.579 64.5 132.5 96.1 13.5 40.0 26.1 26.6 507 582 A M S S+ 0 0 63 2,-0.0 2,-0.3 3,-0.0 -48,-0.0 0.737 79.3 45.4 -56.9 -20.6 42.4 28.9 25.7 508 583 A W S S- 0 0 55 -46,-0.0 2,-1.5 0, 0.0 3,-0.2 -0.880 97.0-102.9-128.0 158.1 41.4 30.2 29.2 509 584 A D > + 0 0 94 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 -0.590 42.6 169.3 -80.0 91.0 41.0 28.7 32.7 510 585 A W H > + 0 0 7 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.759 69.3 60.9 -74.3 -24.6 37.1 28.5 32.9 511 586 A D H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 104.7 46.2 -72.7 -41.0 37.1 26.4 36.0 512 587 A T H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 114.5 50.0 -62.0 -46.0 38.8 28.9 38.2 513 588 A L H X S+ 0 0 7 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.931 112.1 47.3 -55.6 -48.6 36.5 31.6 36.7 514 589 A R H X S+ 0 0 40 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.908 111.2 50.3 -61.0 -44.8 33.4 29.4 37.5 515 590 A K H X S+ 0 0 135 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.939 114.0 46.5 -59.1 -45.9 34.6 28.7 41.0 516 591 A D H X>S+ 0 0 46 -4,-2.7 4,-3.1 2,-0.2 5,-0.5 0.914 113.1 47.6 -62.0 -45.3 35.1 32.5 41.4 517 592 A I H X5S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.943 112.2 49.8 -63.5 -45.2 31.6 33.4 39.9 518 593 A M H <5S+ 0 0 93 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 118.5 40.3 -62.0 -30.7 29.9 30.8 42.0 519 594 A K H <5S+ 0 0 148 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.929 132.9 16.6 -83.3 -46.5 31.6 32.1 45.1 520 595 A H H <5S- 0 0 71 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.657 94.9-133.7-106.9 -22.3 31.5 35.9 44.6 521 596 A G << - 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