==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-08 2ZLG . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,J.W.FAIRMAN,S.R.WIJERATHNA,J.LAMACCHIA,N.R.KREISCHER, . 654 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 3 1 3 1 3 2 2 3 1 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 . 3 3 2 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 . 4 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 0 165 0, 0.0 4,-0.3 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 -97.6 44.4 61.1 0.2 2 77 A L > + 0 0 135 2,-0.1 4,-0.8 1,-0.1 5,-0.0 0.268 360.0 83.3 -93.8 3.2 46.3 64.2 1.1 3 78 A A H > S+ 0 0 32 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.844 78.5 59.6 -76.3 -36.7 42.8 65.5 1.6 4 79 A A H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.968 107.8 44.6 -55.9 -54.9 42.4 64.1 5.2 5 80 A R H > S+ 0 0 159 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.755 113.5 53.0 -65.6 -23.8 45.4 66.2 6.4 6 81 A I H X S+ 0 0 101 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.964 112.5 42.8 -66.4 -55.5 44.0 69.1 4.5 7 82 A A H X S+ 0 0 15 -4,-3.3 4,-0.9 1,-0.2 -2,-0.2 0.859 116.5 47.6 -61.2 -39.7 40.5 68.8 6.2 8 83 A I H >X S+ 0 0 3 -4,-2.9 4,-1.5 -5,-0.2 3,-0.6 0.930 108.3 52.3 -69.9 -47.6 42.0 68.2 9.7 9 84 A S H 3X S+ 0 0 27 -4,-1.5 4,-1.1 1,-0.3 -1,-0.2 0.826 106.5 55.2 -59.5 -34.3 44.5 71.0 9.7 10 85 A N H 3X S+ 0 0 64 -4,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.797 103.8 54.4 -70.5 -28.8 41.7 73.4 8.7 11 86 A L H << S+ 0 0 14 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.849 104.7 55.9 -66.6 -35.8 39.7 72.3 11.8 12 87 A H H >< S+ 0 0 34 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.820 107.1 49.2 -65.4 -31.5 42.8 73.1 13.9 13 88 A K H 3< S+ 0 0 145 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 113.8 42.6 -84.2 -29.6 42.8 76.7 12.6 14 89 A Q T 3< S+ 0 0 110 -4,-1.4 2,-0.4 2,-0.1 -1,-0.2 0.092 109.9 79.7 -98.1 23.2 39.1 77.4 13.2 15 90 A T S < S- 0 0 15 -3,-0.6 2,-0.4 -5,-0.1 74,-0.1 -0.987 81.1-119.9-137.8 129.6 39.4 75.7 16.6 16 91 A T - 0 0 69 -2,-0.4 2,-0.4 73,-0.1 75,-0.2 -0.451 23.6-139.9 -58.4 115.8 40.8 76.7 20.0 17 92 A K S S+ 0 0 146 -2,-0.4 -1,-0.0 -5,-0.1 -5,-0.0 -0.721 74.2 75.2 -73.4 134.9 43.7 74.5 21.1 18 93 A Q >> - 0 0 93 -2,-0.4 4,-1.6 39,-0.1 3,-1.4 0.521 66.0-147.4 114.1 91.6 43.1 73.9 24.9 19 94 A F H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.833 95.7 62.8 -46.4 -43.8 40.4 71.5 25.9 20 95 A S H 3> S+ 0 0 6 1,-0.2 4,-1.5 33,-0.2 -1,-0.3 0.816 106.4 44.1 -60.2 -31.4 39.6 73.5 29.0 21 96 A K H <> S+ 0 0 101 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.815 110.3 52.9 -84.2 -31.9 38.5 76.6 27.0 22 97 A V H X S+ 0 0 6 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.897 110.7 49.5 -67.6 -37.3 36.5 74.6 24.4 23 98 A V H X S+ 0 0 3 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.926 108.7 53.7 -60.0 -46.7 34.7 73.1 27.4 24 99 A E H X S+ 0 0 35 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.927 111.9 44.0 -52.8 -49.4 34.2 76.6 28.7 25 100 A D H X S+ 0 0 68 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.903 114.0 48.0 -67.1 -44.7 32.6 77.8 25.5 26 101 A L H >< S+ 0 0 2 -4,-2.7 14,-1.2 1,-0.2 3,-1.0 0.955 115.2 46.1 -58.9 -49.7 30.4 74.7 25.1 27 102 A Y H 3< S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 116.4 46.0 -63.0 -30.0 29.2 75.0 28.6 28 103 A R H 3< S+ 0 0 140 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.521 85.6 134.7 -89.0 -8.3 28.7 78.8 28.1 29 104 A Y << - 0 0 38 -3,-1.0 9,-2.1 -4,-0.8 2,-0.3 -0.057 32.7-171.7 -54.6 146.8 26.9 78.4 24.8 30 105 A V E -A 37 0A 67 7,-0.3 2,-0.7 8,-0.1 5,-0.1 -0.998 31.0-111.1-143.6 128.5 23.7 80.4 24.2 31 106 A N E >>> -A 36 0A 62 5,-3.3 4,-3.0 -2,-0.3 3,-0.8 -0.482 27.1-155.0 -67.3 108.5 21.2 80.1 21.3 32 107 A A T 345S+ 0 0 73 -2,-0.7 -1,-0.2 1,-0.2 53,-0.0 0.846 88.1 46.1 -54.2 -43.8 21.7 83.4 19.4 33 108 A A T 345S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.759 125.6 30.3 -75.1 -24.6 18.3 83.5 17.8 34 109 A T T <45S- 0 0 73 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.601 96.0-130.1-109.0 -18.6 16.4 82.7 21.0 35 110 A G T <5 + 0 0 51 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.597 57.3 148.0 76.7 12.4 18.7 84.2 23.7 36 111 A K E < -A 31 0A 127 -5,-0.7 -5,-3.3 1,-0.1 2,-0.4 -0.669 55.5-120.4 -90.0 130.0 18.6 80.9 25.6 37 112 A P E +A 30 0A 103 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.541 37.0 177.1 -59.1 119.5 21.4 79.5 27.7 38 113 A A - 0 0 34 -9,-2.1 -9,-0.1 -2,-0.4 -8,-0.1 -0.576 8.6-167.1-134.1 67.6 22.0 76.1 25.9 39 114 A P - 0 0 54 0, 0.0 -12,-0.3 0, 0.0 -13,-0.1 -0.224 14.3-166.3 -63.3 144.5 25.0 74.4 27.6 40 115 A M S S+ 0 0 45 -14,-1.2 2,-0.4 -17,-0.2 -13,-0.2 0.211 73.7 64.1-113.4 10.7 26.4 71.4 25.8 41 116 A I S S- 0 0 3 -15,-0.3 94,-0.3 94,-0.2 93,-0.1 -0.986 87.3-114.9-131.7 141.8 28.4 70.3 28.9 42 117 A S > - 0 0 13 92,-3.0 4,-2.4 -2,-0.4 5,-0.2 -0.374 21.6-120.4 -71.7 155.4 27.0 69.1 32.2 43 118 A D H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 114.1 57.7 -52.6 -46.6 27.6 71.1 35.3 44 119 A D H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 111.7 36.3 -56.5 -46.4 29.2 68.0 36.7 45 120 A V H > S+ 0 0 2 89,-0.3 4,-3.2 2,-0.2 5,-0.3 0.889 111.6 58.8 -80.5 -40.8 31.9 67.7 34.0 46 121 A Y H X S+ 0 0 21 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.951 109.5 46.7 -50.0 -51.5 32.5 71.4 33.5 47 122 A N H X S+ 0 0 70 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.940 110.9 50.6 -55.4 -53.0 33.4 71.5 37.2 48 123 A I H < S+ 0 0 0 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.934 111.4 48.3 -52.1 -51.6 35.7 68.5 37.0 49 124 A V H >X S+ 0 0 0 -4,-3.2 3,-1.6 1,-0.2 4,-0.6 0.924 110.5 52.3 -56.2 -46.1 37.5 69.9 34.1 50 125 A M H >< S+ 0 0 43 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.2 0.888 108.0 50.2 -58.3 -40.8 37.9 73.2 35.8 51 126 A E T 3< S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.365 126.7 26.3 -80.9 7.6 39.4 71.6 38.9 52 127 A N T X> S+ 0 0 51 -3,-1.6 4,-2.5 -4,-0.2 3,-0.8 0.210 76.5 133.0-149.8 12.6 41.9 69.7 36.8 53 128 A K H S+ 0 0 126 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.909 113.3 46.9 -65.7 -40.8 46.2 71.6 33.6 55 130 A K H <4 S+ 0 0 127 -3,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.923 119.2 41.2 -63.5 -45.5 46.2 67.8 34.0 56 131 A L H >X S+ 0 0 0 -4,-2.5 3,-1.6 -7,-0.2 4,-0.9 0.960 112.3 53.2 -66.0 -54.6 43.5 67.4 31.3 57 132 A N H 3< S+ 0 0 20 -4,-3.5 3,-0.4 1,-0.3 -1,-0.2 0.838 111.6 45.0 -48.4 -42.8 44.9 70.0 28.9 58 133 A S T 3< S+ 0 0 100 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 100.7 67.4 -93.2 2.3 48.4 68.5 28.7 59 134 A A T <4 S+ 0 0 27 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.723 81.2 96.3 -87.0 -25.2 47.3 64.8 28.4 60 135 A I < - 0 0 14 -4,-0.9 2,-0.8 -3,-0.4 3,-0.0 -0.494 59.2-160.4 -74.4 125.9 45.9 65.5 25.0 61 136 A V > - 0 0 45 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.850 2.9-170.0-103.6 95.5 48.1 64.6 22.0 62 137 A Y G > S+ 0 0 34 -2,-0.8 3,-0.8 1,-0.3 4,-0.3 0.587 78.7 78.7 -67.0 -6.8 46.6 66.7 19.2 63 138 A D G > S+ 0 0 120 1,-0.2 3,-2.5 2,-0.2 -1,-0.3 0.938 81.8 66.9 -55.7 -45.8 48.9 64.7 16.9 64 139 A R G < S+ 0 0 41 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.657 80.0 76.6 -59.3 -19.9 46.4 61.9 17.1 65 140 A D G < S+ 0 0 0 -3,-0.8 2,-1.5 -4,-0.3 3,-0.4 0.829 83.6 70.7 -56.5 -34.0 43.8 63.9 15.2 66 141 A F S < S+ 0 0 56 -3,-2.5 -1,-0.2 -4,-0.3 -61,-0.1 -0.685 79.2 76.6 -86.5 86.5 45.7 63.1 12.1 67 142 A Q + 0 0 94 -2,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.164 66.9 87.0-176.5 23.5 44.8 59.4 11.9 68 143 A Y S S- 0 0 14 -3,-0.4 4,-0.4 466,-0.0 5,-0.2 0.564 79.6-126.9-117.5 -11.5 41.3 59.3 10.6 69 144 A S > - 0 0 62 3,-0.2 4,-2.8 2,-0.1 5,-0.3 0.267 37.8 -83.0 66.0 154.7 41.4 59.2 6.8 70 145 A Y H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.926 130.1 38.9 -57.2 -51.2 39.3 61.8 4.9 71 146 A F H > S+ 0 0 131 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.795 115.0 55.0 -75.4 -27.0 36.0 60.0 5.0 72 147 A G H >> S+ 0 0 2 -4,-0.4 4,-1.3 2,-0.2 3,-0.9 0.978 111.4 42.7 -64.7 -56.7 36.6 58.8 8.5 73 148 A F H 3X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 3,-0.4 0.901 109.5 56.8 -55.6 -46.1 37.1 62.3 9.9 74 149 A K H 3X S+ 0 0 70 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.721 101.1 59.2 -66.2 -19.6 34.3 63.8 7.9 75 150 A T H S+ 0 0 33 -3,-0.9 4,-1.6 -4,-0.8 5,-0.7 0.921 109.3 43.4 -65.5 -48.4 32.0 61.3 9.5 76 151 A L H X>S+ 0 0 6 -4,-1.3 5,-2.5 -3,-0.4 4,-0.9 0.909 116.1 47.9 -60.1 -47.1 33.1 62.8 12.9 77 152 A E H <5S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.967 111.4 49.7 -61.3 -54.1 32.7 66.4 11.5 78 153 A R H <5S- 0 0 194 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.820 135.4 -2.5 -54.9 -36.0 29.3 65.8 10.0 79 154 A S H <5S+ 0 0 69 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.748 124.4 48.6-128.5 -42.8 27.7 64.2 13.1 80 155 A Y T <> - 0 0 16 -2,-0.4 4,-2.8 -75,-0.2 3,-0.5 -0.607 37.2-110.1 -82.8 155.7 38.5 68.6 17.9 92 167 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.825 122.6 53.1 -54.7 -31.3 38.5 64.8 17.8 93 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.821 108.1 48.9 -76.0 -30.8 40.7 64.8 20.9 94 169 A H H <> S+ 0 0 0 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.943 108.3 54.6 -68.0 -49.0 38.3 67.0 22.7 95 170 A L H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.930 112.9 43.3 -44.1 -53.8 35.4 64.7 21.7 96 171 A I H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.868 112.7 49.5 -66.7 -41.8 37.3 61.8 23.2 97 172 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.949 113.0 48.6 -66.0 -46.5 38.5 63.6 26.4 98 173 A R H X S+ 0 0 2 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.932 110.5 50.3 -53.2 -51.1 34.9 64.7 27.0 99 174 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.933 111.2 49.9 -56.4 -44.8 33.5 61.2 26.4 100 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.915 112.5 46.3 -59.0 -47.9 36.1 59.9 28.9 101 176 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.911 108.0 56.4 -60.0 -45.6 35.2 62.5 31.5 102 177 A G H < S+ 0 0 1 -4,-3.1 32,-0.3 1,-0.2 -1,-0.2 0.790 115.3 39.6 -59.1 -28.5 31.4 61.8 31.0 103 178 A I H < S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.918 126.6 28.7 -83.6 -50.6 32.0 58.2 31.8 104 179 A H H >< S- 0 0 7 -4,-2.7 3,-1.6 1,-0.2 2,-0.2 0.705 79.0-177.9 -93.2 -22.7 34.6 58.3 34.6 105 180 A G T 3< S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.3 6,-0.1 -0.407 73.2 5.1 62.9-121.6 33.8 61.6 36.3 106 181 A R T 3 S+ 0 0 144 -2,-0.2 2,-1.8 1,-0.1 -1,-0.3 0.544 105.2 97.9 -77.0 -6.9 36.1 62.3 39.2 107 182 A D <> + 0 0 77 -3,-1.6 4,-2.1 1,-0.2 -1,-0.1 -0.592 49.6 172.3 -79.2 81.8 38.3 59.2 38.5 108 183 A I H > S+ 0 0 22 -2,-1.8 4,-2.5 2,-0.2 5,-0.3 0.889 71.2 57.0 -64.5 -40.9 40.9 61.1 36.6 109 184 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.973 110.7 43.1 -52.2 -57.6 43.3 58.2 36.3 110 185 A A H > S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.865 110.6 57.9 -55.8 -40.2 40.6 56.1 34.5 111 186 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.919 109.0 43.3 -59.3 -46.5 39.6 59.0 32.4 112 187 A L H X S+ 0 0 22 -4,-2.5 4,-3.4 -3,-0.2 -1,-0.2 0.862 113.2 53.1 -67.4 -36.4 43.1 59.4 31.0 113 188 A E H X S+ 0 0 87 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.942 111.2 45.0 -64.3 -46.9 43.4 55.7 30.5 114 189 A T H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 5,-0.3 0.938 114.7 51.4 -58.7 -44.5 40.2 55.6 28.5 115 190 A Y H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.949 110.1 46.3 -57.8 -56.0 41.4 58.7 26.7 116 191 A N H X S+ 0 0 66 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.935 115.2 46.7 -53.5 -48.4 44.8 57.2 25.8 117 192 A L H <>S+ 0 0 17 -4,-2.4 5,-3.0 -5,-0.2 6,-0.6 0.855 116.6 43.4 -66.9 -33.7 43.3 53.9 24.6 118 193 A M H ><5S+ 0 0 8 -4,-2.4 3,-2.3 -5,-0.2 -2,-0.2 0.938 111.3 53.0 -77.3 -45.5 40.5 55.5 22.6 119 194 A S H 3<5S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.811 110.2 49.8 -58.7 -31.2 42.8 58.1 21.0 120 195 A L T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.393 118.5-116.2 -86.8 2.1 45.1 55.3 20.0 121 196 A K T < 5S+ 0 0 36 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.888 72.1 136.0 67.1 40.6 42.1 53.5 18.5 122 197 A Y S > - 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0 0 4 -4,-2.1 98,-0.3 -5,-0.3 -4,-0.1 0.847 19.3-170.0 50.8 49.2 23.1 45.7 34.9 422 504 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.335 2.9-171.0 -65.3 155.6 23.5 44.2 31.4 423 505 A I - 0 0 0 96,-0.8 2,-0.3 -62,-0.1 -60,-0.1 -0.924 10.1-149.7-141.2 154.3 26.5 45.3 29.3 424 506 A A E -d 363 0C 0 -62,-1.4 -60,-1.4 -2,-0.3 2,-0.3 -0.757 11.8-178.1-142.9 101.9 27.3 44.7 25.6 425 507 A L E +de 364 521C 2 95,-2.3 97,-1.3 -2,-0.3 -60,-0.2 -0.701 13.6 165.6 -89.1 141.4 30.8 44.4 24.1 426 508 A G E -d 365 0C 2 -62,-2.5 -60,-2.6 -2,-0.3 2,-0.3 -0.642 22.8-120.4-134.6-164.6 31.4 43.8 20.4 427 509 A V E -d 366 0C 1 -62,-0.3 2,-0.3 97,-0.3 -60,-0.2 -0.976 11.8-168.1-140.3 154.1 34.1 44.0 17.8 428 510 A Q E +d 367 0C 0 -62,-2.2 -60,-2.0 -2,-0.3 109,-0.2 -0.947 68.6 41.2-129.8 161.5 35.0 45.7 14.6 429 511 A G > + 0 0 0 107,-2.3 4,-2.6 -2,-0.3 110,-0.1 0.695 59.4 136.1 83.2 20.9 37.8 44.9 12.1 430 512 A L H > S+ 0 0 0 108,-1.9 4,-2.1 106,-0.3 5,-0.2 0.916 78.1 48.8 -60.9 -44.1 37.6 41.1 12.1 431 513 A A H > S+ 0 0 2 109,-0.6 4,-1.5 107,-0.3 -1,-0.2 0.831 112.3 48.8 -66.9 -32.2 37.9 41.1 8.4 432 514 A D H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 107.7 55.0 -68.7 -45.1 40.9 43.4 8.6 433 515 A T H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.918 108.2 47.4 -58.7 -45.6 42.5 41.2 11.3 434 516 A F H <>S+ 0 0 2 -4,-2.1 5,-3.3 1,-0.2 4,-0.3 0.928 112.7 51.1 -60.0 -41.5 42.3 38.2 9.1 435 517 A M H <5S+ 0 0 13 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.804 107.3 51.5 -67.9 -32.1 43.8 40.2 6.2 436 518 A L H <5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.779 115.6 41.6 -75.4 -27.0 46.7 41.5 8.2 437 519 A L T <5S- 0 0 31 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.394 114.6-121.7 -96.1 1.2 47.6 38.0 9.2 438 520 A R T 5 + 0 0 89 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.857 60.6 148.1 58.0 40.4 46.9 36.8 5.7 439 521 A L < - 0 0 29 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.919 48.6-127.8-102.8 118.7 44.3 34.3 6.8 440 522 A P > - 0 0 27 0, 0.0 3,-1.8 0, 0.0 6,-0.4 -0.381 23.8-119.4 -56.6 146.4 41.4 33.8 4.4 441 523 A F T 3 S+ 0 0 16 151,-0.4 152,-0.1 1,-0.3 151,-0.0 0.887 114.8 47.5 -55.4 -41.7 38.1 34.3 6.2 442 524 A D T 3 S+ 0 0 56 150,-0.3 -1,-0.3 4,-0.1 151,-0.1 0.339 91.8 114.7 -83.8 5.2 37.1 30.7 5.4 443 525 A S S <> S- 0 0 17 -3,-1.8 4,-2.2 1,-0.1 5,-0.1 -0.314 77.2-117.4 -80.9 162.9 40.5 29.2 6.5 444 526 A E H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.721 116.3 50.9 -70.5 -20.8 41.1 26.9 9.5 445 527 A E H > S+ 0 0 112 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.857 107.8 50.8 -84.2 -38.5 43.2 29.5 11.1 446 528 A A H > S+ 0 0 0 -6,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.927 111.5 50.3 -58.5 -43.6 40.6 32.2 10.7 447 529 A R H X S+ 0 0 97 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.888 114.0 44.7 -61.0 -40.7 38.2 29.7 12.3 448 530 A L H X S+ 0 0 46 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.936 113.3 48.7 -67.7 -49.1 40.7 29.2 15.1 449 531 A L H X S+ 0 0 10 -4,-3.6 4,-3.0 1,-0.2 5,-0.2 0.919 107.7 55.6 -63.9 -43.3 41.4 32.9 15.6 450 532 A N H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.939 109.6 47.0 -47.7 -54.2 37.7 33.8 15.7 451 533 A I H X S+ 0 0 16 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.922 114.0 47.2 -55.3 -47.7 37.2 31.3 18.5 452 534 A Q H X S+ 0 0 27 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.901 107.2 54.9 -66.3 -44.4 40.2 32.5 20.5 453 535 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.924 111.9 44.1 -56.0 -45.4 39.4 36.2 20.2 454 536 A F H X S+ 0 0 2 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.790 107.2 58.9 -75.6 -27.8 35.9 35.7 21.6 455 537 A E H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.882 110.5 43.1 -67.1 -35.8 37.0 33.4 24.4 456 538 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.882 112.7 51.3 -80.0 -36.6 39.3 36.1 25.8 457 539 A I H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.940 115.9 42.6 -62.0 -41.7 36.8 38.9 25.4 458 540 A Y H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.929 117.5 45.9 -70.3 -43.8 34.2 36.8 27.2 459 541 A H H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.969 114.0 48.1 -61.4 -55.9 36.7 35.7 29.9 460 542 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.851 112.6 49.5 -51.0 -40.1 38.1 39.2 30.4 461 543 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.936 112.2 45.5 -72.8 -44.8 34.7 40.7 30.7 462 544 A M H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.835 114.3 51.8 -62.9 -32.9 33.4 38.1 33.2 463 545 A E H X S+ 0 0 56 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.952 111.1 45.0 -70.2 -49.4 36.7 38.7 35.1 464 546 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.901 114.9 50.8 -55.9 -41.5 36.4 42.4 35.1 465 547 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 51,-1.8 0.834 108.1 49.9 -72.0 -37.2 32.7 42.0 36.2 466 548 A C H X S+ 0 0 3 -4,-2.2 4,-1.5 49,-0.2 -1,-0.2 0.924 109.5 53.2 -62.5 -44.8 33.6 39.6 39.0 467 549 A E H X S+ 0 0 66 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.882 109.3 49.2 -57.8 -38.4 36.2 42.1 40.2 468 550 A L H X S+ 0 0 21 -4,-1.7 4,-2.7 1,-0.2 3,-0.3 0.869 106.5 54.1 -69.6 -37.2 33.5 44.8 40.2 469 551 A A H X S+ 0 0 5 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.760 104.1 57.3 -68.5 -24.3 31.1 42.6 42.2 470 552 A Q H < S+ 0 0 103 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.827 114.0 39.4 -70.8 -32.0 33.8 42.2 44.7 471 553 A K H < S+ 0 0 161 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.857 136.2 12.8 -82.3 -39.8 33.8 46.0 45.0 472 554 A D H < S- 0 0 93 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.353 106.6-103.0-125.4 2.1 30.1 46.8 44.8 473 555 A G < - 0 0 26 -4,-1.5 -1,-0.3 -5,-0.3 -3,-0.1 -0.012 50.2 -64.7 85.5 159.4 28.3 43.6 45.3 474 556 A P - 0 0 54 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.258 67.9 -78.1 -70.7 167.6 26.6 41.6 42.5 475 557 A Y > - 0 0 6 40,-1.6 3,-2.2 -55,-0.2 4,-0.3 -0.337 54.6 -97.2 -67.1 154.5 23.6 42.9 40.6 476 558 A E T 3 S+ 0 0 135 -57,-0.5 3,-0.3 -58,-0.5 -56,-0.2 0.721 119.6 39.1 -48.4 -32.8 20.3 42.7 42.4 477 559 A T T 3 S+ 0 0 21 -58,-0.9 -1,-0.3 1,-0.2 -141,-0.1 0.128 76.6 113.9-113.3 22.1 19.1 39.5 40.8 478 560 A F X + 0 0 24 -3,-2.2 3,-1.9 2,-0.1 6,-0.4 0.876 54.5 89.5 -59.4 -43.4 22.3 37.5 40.6 479 561 A Q T 3 S+ 0 0 176 -4,-0.3 4,-0.0 -3,-0.3 6,-0.0 -0.396 94.0 21.2 -61.5 125.2 21.2 34.8 43.1 480 562 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.3 -2,-0.2 -2,-0.1 0.362 95.6 122.6 100.3 -3.8 19.4 32.0 41.3 481 563 A S S <> S- 0 0 0 -3,-1.9 4,-0.9 1,-0.1 3,-0.4 -0.465 77.9-105.6 -88.0 162.3 20.9 32.6 37.9 482 564 A P T >4>S+ 0 0 11 0, 0.0 5,-2.6 0, 0.0 3,-1.1 0.907 120.8 53.5 -46.2 -48.1 22.8 30.2 35.8 483 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.8 3,-0.2 31,-0.1 0.844 97.9 61.5 -63.4 -36.7 26.0 32.0 36.6 484 566 A S G 345S+ 0 0 20 -6,-0.4 -1,-0.3 -3,-0.4 -5,-0.1 0.790 107.9 46.9 -60.7 -24.1 25.5 31.8 40.4 485 567 A Q G <<5S- 0 0 116 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.449 125.8-105.4 -89.9 -5.8 25.7 28.0 39.9 486 568 A G T < 5S+ 0 0 6 -3,-1.8 2,-0.6 1,-0.3 -3,-0.2 0.660 74.4 142.0 84.2 16.9 28.8 28.4 37.7 487 569 A I < - 0 0 67 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.821 29.0-175.9 -84.6 126.2 26.9 27.7 34.5 488 570 A L > - 0 0 4 -2,-0.6 4,-1.6 -3,-0.1 3,-0.1 -0.610 40.9 -85.1-115.3-178.1 28.4 30.0 31.8 489 571 A Q H >> S+ 0 0 2 1,-0.2 3,-0.7 -2,-0.2 4,-0.7 0.936 125.1 44.6 -57.0 -55.7 27.5 30.6 28.2 490 572 A F H >4>S+ 0 0 0 124,-0.3 5,-1.5 1,-0.3 3,-0.9 0.840 107.6 60.6 -58.1 -34.8 29.5 27.8 26.6 491 573 A D H >45S+ 0 0 42 1,-0.3 3,-2.0 3,-0.2 -1,-0.3 0.903 100.7 54.9 -57.8 -40.2 28.2 25.4 29.3 492 574 A M H <<5S+ 0 0 31 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.649 103.9 53.2 -72.0 -16.4 24.7 26.1 28.2 493 575 A W T <<5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.266 119.5-118.8 -90.7 9.4 25.7 25.1 24.6 494 576 A D T < 5S+ 0 0 151 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.940 71.3 126.9 49.3 55.7 27.0 21.9 26.3 495 577 A Q < - 0 0 95 -5,-1.5 -1,-0.2 119,-0.1 -2,-0.2 -0.974 62.6-119.5-137.5 151.3 30.6 22.5 25.3 496 578 A K - 0 0 181 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.670 42.2-109.8 -80.5 143.6 34.0 22.7 26.9 497 579 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 118,-0.0 -0.231 30.6-104.7 -67.7 170.7 35.7 26.0 26.4 498 580 A Y - 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0 0 0 -4,-2.2 2,-0.4 -5,-0.6 -45,-0.2 -0.224 25.5 -81.3 84.3-178.8 29.1 37.1 42.0 515 597 A V - 0 0 1 -46,-0.1 -40,-1.6 -40,-0.1 -49,-0.2 -0.979 16.7-140.1-129.0 142.8 29.2 39.3 38.9 516 598 A R S S+ 0 0 37 -51,-1.8 2,-0.4 -2,-0.4 -40,-0.1 0.765 91.5 51.4 -67.7 -25.9 28.3 43.0 38.6 517 599 A N - 0 0 1 1,-0.1 -96,-0.2 -55,-0.1 -1,-0.1 -0.955 63.8-155.9-123.8 132.1 26.7 42.4 35.2 518 600 A S S S+ 0 0 1 -98,-1.9 2,-0.3 -2,-0.4 -185,-0.1 0.734 89.2 16.3 -77.7 -25.5 24.1 39.8 34.3 519 601 A L + 0 0 0 -98,-0.3 -96,-0.8 -99,-0.2 -1,-0.1 -0.952 57.9 169.9-140.0 159.8 25.2 39.9 30.7 520 602 A T + 0 0 0 -2,-0.3 -95,-2.3 1,-0.2 2,-0.5 0.506 54.5 66.8-142.8 -14.7 28.3 41.2 28.9 521 603 A M B +e 425 0C 2 -97,-0.3 97,-2.1 2,-0.1 -1,-0.2 -0.940 34.9 141.6-133.2 116.8 28.6 40.3 25.3 522 604 A A - 0 0 0 -97,-1.3 98,-0.2 -2,-0.5 -96,-0.1 -0.543 37.6-145.1-151.7 78.5 26.5 41.2 22.3 523 605 A P - 0 0 0 0, 0.0 98,-1.9 0, 0.0 -97,-0.2 -0.213 31.9-173.7 -47.6 113.9 28.5 41.8 19.0 524 606 A M - 0 0 9 96,-0.2 -97,-0.3 -160,-0.1 2,-0.3 -0.511 34.2 -80.2-110.6 170.4 26.5 44.6 17.3 525 607 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.591 38.5-169.8 -67.0 136.0 26.6 46.5 14.0 526 608 A T > + 0 0 6 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 0.770 28.8 147.0-101.9 -34.5 29.4 49.0 14.3 527 609 A A T >> S+ 0 0 36 1,-0.3 3,-0.6 2,-0.2 4,-0.6 -0.059 70.5 22.8 47.6-112.0 28.6 51.0 11.1 528 610 A S H >> S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.800 122.6 55.8 -59.0 -35.0 29.5 54.6 11.7 529 611 A T H <> S+ 0 0 8 -3,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.856 105.8 51.6 -68.1 -33.2 32.0 53.9 14.5 530 612 A S H <4>S+ 0 0 3 -3,-0.6 5,-0.8 -4,-0.3 -1,-0.2 0.503 107.2 53.1 -84.8 -4.6 34.0 51.6 12.2 531 613 A Q H <<5S+ 0 0 112 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.735 107.8 51.7 -89.4 -33.2 34.1 54.2 9.5 532 614 A I H <5S+ 0 0 6 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.927 116.1 40.2 -60.1 -46.3 35.5 56.6 12.1 533 615 A L T <5S- 0 0 6 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.562 110.5-123.8 -83.3 -11.3 38.2 54.0 13.1 534 616 A G T 5 + 0 0 49 1,-0.2 -3,-0.2 -5,-0.1 2,-0.1 0.582 69.0 116.5 82.4 12.0 38.8 53.0 9.5 535 617 A Y < - 0 0 49 -5,-0.8 -1,-0.2 -6,-0.1 2,-0.2 -0.378 69.1 -84.8-103.2-176.9 38.1 49.2 9.9 536 618 A N - 0 0 37 2,-0.1 -107,-2.3 -2,-0.1 -106,-0.3 -0.599 59.2 -77.6 -90.9 152.1 35.5 46.8 8.5 537 619 A E S > S- 0 0 48 -2,-0.2 3,-1.7 -109,-0.2 -106,-0.2 -0.243 71.5 -73.4 -55.6 116.7 32.0 46.4 10.0 538 620 A C T 3 S- 0 0 4 1,-0.2 -108,-1.9 -2,-0.1 -107,-0.3 0.021 102.5 -21.3 47.0-115.7 32.1 44.2 13.1 539 621 A F T 3 S+ 0 0 7 -109,-0.1 -1,-0.2 -110,-0.1 -2,-0.1 0.262 106.3 107.5-115.8 5.2 32.6 40.5 12.5 540 622 A E < - 0 0 27 -3,-1.7 -109,-0.6 1,-0.1 -111,-0.1 -0.453 69.3-112.7 -86.1 158.9 31.6 40.3 8.9 541 623 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.244 50.0 -74.5 -74.1 176.8 33.8 39.9 5.8 542 624 A V - 0 0 13 53,-0.3 55,-2.7 1,-0.1 3,-0.1 -0.422 29.7-150.4 -70.8 146.7 34.3 42.7 3.3 543 625 A T S S- 0 0 63 1,-0.4 2,-0.3 53,-0.2 55,-0.3 0.745 80.0 -10.2 -90.2 -27.2 31.4 43.3 0.8 544 626 A S - 0 0 36 52,-0.1 -1,-0.4 51,-0.1 34,-0.2 -0.940 61.0-122.3-165.1 152.5 33.8 44.5 -1.9 545 627 A N 0 0 3 33,-1.5 7,-3.4 -2,-0.3 33,-0.1 0.242 360.0 360.0 -83.7 15.8 37.4 45.4 -2.2 546 628 A M 0 0 51 5,-0.3 5,-0.2 27,-0.1 -3,-0.1 -0.902 360.0 360.0-165.7 360.0 36.6 48.9 -3.5 547 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 548 638 A F 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.7 36.6 57.9 -8.4 549 639 A Q - 0 0 136 1,-0.1 2,-0.4 0, 0.0 25,-0.0 0.771 360.0-104.4 -76.6-155.5 36.7 55.4 -5.7 550 640 A V - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.965 29.4-152.8-134.7 115.3 38.5 53.8 -2.8 551 641 A V - 0 0 31 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.585 35.3 -87.5 -91.0 148.1 40.4 50.5 -3.0 552 642 A N > - 0 0 14 -7,-3.4 4,-2.3 -2,-0.2 -1,-0.1 -0.309 36.9-142.2 -48.1 124.3 41.0 48.0 -0.2 553 643 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.837 98.0 44.9 -65.6 -39.3 44.4 49.1 1.4 554 644 A Y H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.873 113.3 51.5 -75.0 -37.7 45.8 45.6 2.0 555 645 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.949 111.0 49.7 -56.4 -47.3 44.7 44.5 -1.4 556 646 A L H X S+ 0 0 55 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.928 105.8 53.8 -61.1 -51.3 46.5 47.6 -2.8 557 647 A R H X S+ 0 0 155 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.936 113.8 44.4 -44.4 -53.7 49.7 46.9 -0.9 558 648 A D H X S+ 0 0 24 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.911 111.2 50.8 -63.1 -48.6 49.8 43.4 -2.3 559 649 A L H >< S+ 0 0 2 -4,-2.7 6,-0.8 1,-0.2 3,-0.8 0.920 116.4 42.7 -55.0 -47.5 48.9 44.4 -5.9 560 650 A V H >< S+ 0 0 68 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.928 107.2 60.2 -63.8 -47.6 51.6 47.0 -5.9 561 651 A D H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.550 109.2 44.7 -60.5 -9.5 54.2 44.8 -4.2 562 652 A L T << S- 0 0 94 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.394 109.7-120.9-116.5 -1.9 54.0 42.3 -7.1 563 653 A G S < S+ 0 0 56 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 -0.206 86.2 106.6 95.0 -41.0 54.1 44.9 -9.8 564 654 A I + 0 0 44 -2,-0.3 2,-0.5 21,-0.1 -4,-0.2 0.367 49.4 107.3 -60.8 3.9 50.7 44.0 -11.4 565 655 A W + 0 0 72 -6,-0.8 2,-0.2 -5,-0.2 3,-0.1 -0.753 46.1 100.3 -85.0 128.4 49.0 47.1 -10.1 566 656 A D S > S- 0 0 75 -2,-0.5 4,-1.0 1,-0.1 3,-0.2 -0.665 80.6 -59.1-165.5-135.6 48.3 49.7 -12.8 567 657 A E H > S+ 0 0 127 1,-0.2 4,-3.0 2,-0.2 2,-2.6 0.878 123.5 52.4-100.7 -56.8 45.5 51.1 -15.0 568 658 A G H 4 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 -0.531 120.5 43.4 -74.3 70.9 44.3 48.1 -17.0 569 659 A M H > S+ 0 0 12 -2,-2.6 4,-1.2 -3,-0.2 3,-0.3 -0.112 107.5 52.0 175.2 -72.3 44.1 46.6 -13.6 570 660 A K H >X S+ 0 0 71 -4,-1.0 4,-1.6 1,-0.2 3,-1.0 0.964 109.9 54.4 -46.0 -55.9 42.5 49.4 -11.6 571 661 A Q H 3X S+ 0 0 95 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.819 101.5 62.0 -49.1 -34.2 39.9 49.5 -14.4 572 662 A Y H 34 S+ 0 0 110 -3,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 0.845 104.1 42.7 -69.3 -38.0 39.3 45.7 -13.7 573 663 A L H X<>S+ 0 0 1 -4,-1.2 3,-1.4 -3,-1.0 5,-1.0 0.911 110.8 54.3 -73.8 -45.8 38.1 45.9 -10.1 574 664 A I H ><5S+ 0 0 71 -4,-1.6 3,-1.8 1,-0.3 2,-1.6 0.972 110.9 46.1 -51.6 -60.0 35.8 48.9 -10.5 575 665 A T T 3<5S+ 0 0 81 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 -0.240 114.7 52.6 -77.1 46.5 34.0 47.1 -13.4 576 666 A Q T X 5S- 0 0 93 -2,-1.6 3,-1.6 -3,-1.4 -1,-0.3 0.207 110.0-114.5-160.8 14.6 34.0 44.0 -11.1 577 667 A N T < 5S- 0 0 110 -3,-1.8 -3,-0.2 1,-0.3 -32,-0.1 0.923 74.9 -51.9 41.4 64.1 32.4 45.4 -7.9 578 668 A G T 3 + 0 0 2 14,-0.2 3,-0.7 -2,-0.2 6,-0.1 0.305 47.2 114.5-127.0 4.4 39.3 39.8 -7.7 581 671 A Q T 3 S+ 0 0 54 1,-0.2 -2,-0.1 13,-0.1 7,-0.0 -0.423 76.5 24.3 -75.5 155.5 38.3 36.3 -8.7 582 672 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.0 0.823 88.3 147.6 57.3 32.3 38.5 35.2 -12.3 583 673 A L X - 0 0 15 -3,-0.7 3,-1.1 1,-0.1 -1,-0.2 -0.889 52.5-127.9-103.7 129.5 41.2 37.8 -12.7 584 674 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.703 93.2 19.4 -50.5 -38.5 44.0 36.9 -15.3 585 675 A N T 3 S+ 0 0 126 -21,-0.1 -21,-0.1 2,-0.1 0, 0.0 -0.097 83.3 121.0-134.8 39.8 47.1 37.5 -13.2 586 676 A V < - 0 0 11 -3,-1.1 -3,-0.1 -6,-0.1 5,-0.1 -0.884 67.0-107.9-106.4 132.1 46.5 37.5 -9.5 587 677 A P >> - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-1.4 -0.336 28.0-122.6 -58.1 130.4 48.3 35.0 -7.2 588 678 A Q H 3> S+ 0 0 121 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.786 108.8 62.7 -39.7 -38.9 45.8 32.4 -6.0 589 679 A E H 3> S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.797 102.6 48.6 -68.0 -27.7 46.6 33.2 -2.4 590 680 A L H <> S+ 0 0 5 -3,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.871 105.4 58.4 -75.3 -39.8 45.3 36.8 -2.8 591 681 A K H < S+ 0 0 22 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.855 112.3 40.9 -57.4 -35.5 42.1 35.5 -4.4 592 682 A D H >< S+ 0 0 46 -4,-1.6 3,-0.8 1,-0.2 -151,-0.4 0.825 114.8 50.7 -83.0 -33.0 41.5 33.5 -1.3 593 683 A L H 3< S+ 0 0 8 -4,-1.5 -2,-0.2 1,-0.2 -152,-0.2 0.804 116.2 41.8 -72.1 -28.5 42.6 36.2 1.1 594 684 A Y T 3< S+ 0 0 2 -4,-2.4 -14,-0.2 -154,-0.1 -1,-0.2 0.013 76.3 148.5-115.5 26.3 40.4 38.8 -0.5 595 685 A K < - 0 0 48 -3,-0.8 -53,-0.3 -16,-0.1 2,-0.2 -0.436 44.3-132.8 -57.4 124.4 37.2 36.7 -1.1 596 686 A T > - 0 0 4 -2,-0.2 3,-3.4 -55,-0.1 4,-0.5 -0.493 25.1-102.8 -82.6 157.2 34.3 39.1 -0.9 597 687 A V G > S+ 0 0 0 -55,-2.7 3,-0.6 1,-0.3 28,-0.1 0.732 122.8 58.7 -59.0 -24.5 31.3 38.0 1.2 598 688 A W G 3 S+ 0 0 58 -55,-0.3 -1,-0.3 1,-0.2 29,-0.1 0.521 108.7 48.2 -73.2 -7.9 29.3 37.1 -1.9 599 689 A E G < S+ 0 0 53 -3,-3.4 2,-0.4 2,-0.1 -2,-0.2 0.390 95.1 87.7-115.9 -1.3 32.1 34.7 -2.6 600 690 A I S < S- 0 0 8 -3,-0.6 5,-0.1 -4,-0.5 -4,-0.0 -0.847 86.8-107.8-101.5 132.9 32.3 33.1 0.8 601 691 A S > - 0 0 64 -2,-0.4 4,-1.5 1,-0.2 3,-0.1 -0.288 16.5-144.1 -57.8 141.1 30.1 30.1 1.7 602 692 A Q H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.724 100.9 64.9 -81.6 -20.9 27.2 31.0 4.1 603 693 A K H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 103.7 48.5 -64.9 -32.0 27.6 27.6 5.7 604 694 A T H > S+ 0 0 34 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.939 109.1 51.2 -71.6 -49.5 31.0 28.9 6.7 605 695 A I H X S+ 0 0 13 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.950 112.7 46.1 -49.9 -54.3 29.6 32.2 8.0 606 696 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.866 109.4 56.0 -61.8 -38.9 27.1 30.3 10.1 607 697 A N H X S+ 0 0 45 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.947 109.8 43.8 -55.9 -52.8 29.7 27.9 11.4 608 698 A M H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.881 111.5 54.6 -65.3 -36.1 31.9 30.7 12.7 609 699 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.963 111.0 45.6 -58.9 -51.8 28.9 32.4 14.2 610 700 A A H X S+ 0 0 8 -4,-2.8 4,-0.5 2,-0.2 -2,-0.2 0.884 111.3 54.5 -56.1 -43.5 28.0 29.2 16.0 611 701 A D H >< S+ 0 0 32 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.989 115.3 36.1 -55.2 -64.8 31.7 28.8 17.1 612 702 A R H >< S+ 0 0 5 -4,-2.8 3,-2.6 1,-0.3 -1,-0.2 0.772 101.4 80.2 -60.4 -27.1 31.9 32.3 18.7 613 703 A S H >< S+ 0 0 7 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.3 0.681 78.5 68.5 -55.9 -20.3 28.3 32.0 19.9 614 704 A V T << S+ 0 0 1 -3,-1.6 -124,-0.3 -4,-0.5 -1,-0.3 0.687 101.5 47.4 -75.9 -14.1 29.4 29.8 22.8 615 705 A Y T < S+ 0 0 7 -3,-2.6 2,-0.6 -4,-0.2 -1,-0.3 -0.011 91.2 100.7-112.6 25.9 31.2 32.8 24.3 616 706 A I < - 0 0 2 -3,-1.3 -94,-0.1 1,-0.1 4,-0.1 -0.903 51.9-165.5-121.5 103.4 28.2 35.2 23.8 617 707 A D S S+ 0 0 5 -2,-0.6 -284,-0.4 2,-0.1 -1,-0.1 0.840 87.6 10.6 -44.3 -43.2 26.0 36.0 26.8 618 708 A Q S S- 0 0 1 -97,-2.1 2,-0.2 1,-0.2 -269,-0.2 0.346 103.0 -80.0-109.3-119.1 23.4 37.5 24.5 619 709 A S - 0 0 4 -271,-2.0 2,-0.3 28,-0.1 -1,-0.2 -0.765 31.6-118.4-141.3-176.6 23.4 37.3 20.7 620 710 A H - 0 0 5 -2,-0.2 2,-2.7 -273,-0.2 -96,-0.2 -0.997 26.8-108.1-140.4 149.9 25.0 38.8 17.6 621 711 A S - 0 0 3 -98,-1.9 2,-1.2 -2,-0.3 -273,-0.1 -0.327 41.2-173.0 -72.2 68.3 23.8 40.7 14.5 622 712 A L - 0 0 5 -2,-2.7 29,-2.3 -275,-0.3 2,-0.2 -0.480 2.8-167.1 -69.3 94.0 24.3 38.0 11.9 623 713 A N - 0 0 15 -2,-1.2 2,-0.4 27,-0.2 30,-0.2 -0.585 10.5-147.1 -70.3 144.1 23.7 39.5 8.5 624 714 A L E -q 653 0J 1 28,-2.4 30,-2.7 -2,-0.2 2,-0.4 -0.915 6.7-153.8-117.0 145.6 23.3 36.9 5.8 625 715 A F E -q 654 0J 12 -2,-0.4 2,-0.4 28,-0.2 30,-0.2 -0.967 10.8-173.6-125.1 127.9 24.4 37.4 2.1 626 716 A L E -q 655 0J 8 28,-2.1 30,-0.8 -2,-0.4 -28,-0.1 -0.944 23.7-140.5-126.4 145.8 23.0 35.7 -1.0 627 717 A R S S- 0 0 127 -2,-0.4 29,-1.0 1,-0.3 -1,-0.2 0.910 94.4 -23.3 -54.2-106.7 24.0 35.6 -4.7 628 718 A A S S- 0 0 66 27,-0.1 -1,-0.3 28,-0.0 27,-0.0 -0.982 94.9-119.3-102.3 110.3 20.6 35.6 -6.4 629 719 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.013 29.5-162.5 -50.0 153.2 18.6 34.2 -3.5 630 720 A T > - 0 0 54 1,-0.1 4,-2.2 -3,-0.0 5,-0.2 -0.983 26.7-124.9-138.4 148.4 16.7 30.9 -4.0 631 721 A M H > S+ 0 0 66 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.837 112.2 47.6 -64.9 -31.7 13.9 29.6 -1.8 632 722 A G H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 109.7 51.5 -77.2 -36.5 15.7 26.4 -1.2 633 723 A K H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.872 109.8 49.5 -68.8 -38.4 19.0 28.0 -0.3 634 724 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.928 111.2 50.0 -63.3 -46.6 17.3 30.3 2.3 635 725 A T H X S+ 0 0 38 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.889 112.6 46.3 -56.9 -43.9 15.6 27.3 3.8 636 726 A S H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.922 112.9 52.1 -64.9 -42.8 18.9 25.5 4.0 637 727 A M H X S+ 0 0 13 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.917 113.7 40.9 -59.9 -50.6 20.5 28.6 5.4 638 728 A H H X S+ 0 0 3 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.920 116.1 49.4 -65.8 -47.1 17.9 29.1 8.2 639 729 A F H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.867 109.0 52.9 -64.5 -34.9 17.6 25.4 9.1 640 730 A Y H X S+ 0 0 71 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.970 113.6 42.8 -62.0 -52.5 21.4 25.1 9.3 641 731 A G H <>S+ 0 0 2 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.883 112.7 53.1 -60.2 -43.2 21.6 28.0 11.7 642 732 A W H ><5S+ 0 0 30 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.933 113.0 42.6 -58.8 -48.7 18.6 26.9 13.7 643 733 A K H 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.0 63.8 -70.9 -27.4 20.0 23.4 14.2 644 734 A K T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.574 119.9-118.1 -65.0 -7.7 23.4 25.0 14.9 645 735 A G T < 5 + 0 0 15 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.2 0.724 51.5 172.7 75.9 23.1 21.4 26.4 17.9 646 736 A L < - 0 0 2 -5,-2.7 3,-0.3 -6,-0.1 -319,-0.2 -0.277 29.1-153.4 -59.5 147.9 21.9 30.0 16.8 647 737 A K S S+ 0 0 7 1,-0.3 -323,-2.9 -320,-0.1 2,-1.0 0.927 93.4 36.0 -84.6 -62.2 19.9 32.7 18.7 648 738 A T E S-K 323 0D 4 -325,-0.3 -1,-0.3 1,-0.2 -325,-0.2 -0.827 70.1-179.0 -88.4 101.6 19.7 35.2 15.9 649 739 A G E S- 0 0 3 -2,-1.0 2,-0.3 -327,-0.8 -1,-0.2 0.892 70.3 -0.1 -65.2 -39.9 19.3 33.0 12.9 650 740 A M E -K 322 0D 0 -328,-2.5 -328,-2.1 -3,-0.2 -1,-0.3 -0.997 48.4-178.6-153.4 146.2 19.3 36.0 10.7 651 741 A Y S S- 0 0 16 -29,-2.3 -28,-0.2 1,-0.6 -329,-0.1 0.236 77.3 -8.0-102.8-123.7 19.5 39.8 10.8 652 742 A Y - 0 0 48 -31,-0.1 -28,-2.4 -331,-0.1 2,-0.7 -0.302 63.8-133.3 -65.9 156.2 19.2 41.4 7.3 653 743 A L E -q 624 0J 6 -335,-1.1 2,-0.2 -339,-0.2 -28,-0.2 -0.901 25.1-154.6-107.7 97.3 19.2 39.3 4.2 654 744 A R E -q 625 0J 101 -30,-2.7 -28,-2.1 -2,-0.7 2,-0.3 -0.534 17.7-139.8 -73.4 137.7 21.6 41.2 2.0 655 745 A T E q 626 0J 58 -2,-0.2 -28,-0.1 -30,-0.2 -27,-0.1 -0.791 360.0 360.0-121.7 146.1 20.9 40.6 -1.6 656 746 A Q 0 0 146 -29,-1.0 -2,-0.1 -30,-0.8 -31,-0.0 -0.332 360.0 360.0 62.2 360.0 22.6 39.9 -5.0