==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAY-11 3S8A . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C; . AUTHOR M.F.AHMAD,P.S.KAUSHAL,Q.WAN,S.R.WIJERATNA,M.HUANG,C.D.DEALWI . 664 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.0 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 . 5 0.8 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 34.5 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 0 3 3 2 3 2 2 2 1 4 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 141 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -67.5 44.5 60.2 0.4 2 77 A L >> + 0 0 116 1,-0.1 2,-3.0 2,-0.1 3,-1.7 0.776 360.0 80.4 -95.0 -37.0 46.4 63.4 1.2 3 78 A A T 34 S+ 0 0 61 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.281 85.9 61.7 -67.1 54.6 43.4 65.5 2.1 4 79 A A T 3> S+ 0 0 11 -2,-3.0 4,-0.7 -3,-0.1 -1,-0.2 0.249 102.5 46.3-144.4 -37.4 43.3 63.9 5.6 5 80 A R T <4 S+ 0 0 147 -3,-1.7 4,-0.4 -4,-0.2 -2,-0.2 0.595 123.3 43.1 -71.1 -13.5 46.7 65.2 6.6 6 81 A I T X S+ 0 0 82 -4,-0.8 4,-0.8 2,-0.1 -3,-0.2 0.834 113.7 42.1-105.7 -43.2 45.3 68.5 5.2 7 82 A A H > S+ 0 0 33 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.705 117.3 50.9 -79.0 -21.4 41.6 68.8 6.4 8 83 A I H X S+ 0 0 4 -4,-0.7 4,-1.1 2,-0.2 3,-0.3 0.911 110.1 48.1 -74.1 -48.8 42.8 67.6 9.9 9 84 A S H 4 S+ 0 0 41 -4,-0.4 4,-0.3 1,-0.2 -2,-0.2 0.679 106.6 60.1 -65.6 -22.5 45.6 70.2 10.0 10 85 A N H >X S+ 0 0 61 -4,-0.8 4,-1.5 2,-0.2 3,-0.7 0.854 103.6 47.5 -72.3 -43.0 43.1 72.9 8.9 11 86 A L H 3< S+ 0 0 24 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.727 103.7 63.9 -69.6 -24.1 40.8 72.5 11.9 12 87 A H T 3< S+ 0 0 44 -4,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.702 106.2 45.4 -66.1 -22.5 44.1 72.6 14.0 13 88 A K T <4 S+ 0 0 154 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.853 115.3 45.5 -82.4 -41.9 44.4 76.2 12.7 14 89 A Q S < S+ 0 0 125 -4,-1.5 2,-0.3 2,-0.1 -2,-0.2 -0.084 103.9 74.2 -99.5 31.5 40.7 77.1 13.4 15 90 A T S S- 0 0 18 -3,-0.3 74,-0.1 -5,-0.1 75,-0.1 -0.998 84.2-102.0-147.7 140.6 40.4 75.6 16.9 16 91 A T - 0 0 63 -2,-0.3 75,-0.2 73,-0.2 6,-0.1 -0.271 27.3-146.7 -58.0 142.9 41.5 76.6 20.5 17 92 A K S S+ 0 0 134 4,-0.0 2,-0.2 5,-0.0 -1,-0.1 0.923 70.0 75.5 -85.0 -47.1 44.6 74.6 21.7 18 93 A Q > - 0 0 104 1,-0.1 4,-1.3 2,-0.0 -2,-0.1 -0.459 66.8-146.6 -76.8 137.8 44.1 74.2 25.5 19 94 A F H >> S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 3,-0.9 0.966 97.0 54.4 -69.5 -52.2 41.6 71.7 26.7 20 95 A S H 3> S+ 0 0 6 1,-0.3 4,-2.2 33,-0.2 -1,-0.2 0.859 107.7 54.9 -52.0 -36.4 40.4 73.5 29.8 21 96 A K H 3> S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.848 105.1 50.6 -67.1 -36.1 39.7 76.5 27.5 22 97 A V H < S+ 0 0 2 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.990 112.5 49.5 -61.5 -63.6 31.2 75.1 26.0 27 102 A Y H 3< S+ 0 0 46 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 115.3 45.4 -43.0 -36.3 30.1 75.4 29.6 28 103 A R T 3< S+ 0 0 144 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.436 85.5 135.1 -90.9 -1.3 29.5 79.2 29.1 29 104 A Y < - 0 0 42 -3,-2.4 9,-2.0 -4,-0.4 2,-0.4 -0.152 33.8-167.5 -70.0 145.6 27.7 79.0 25.8 30 105 A V E -A 37 0A 75 7,-0.3 2,-0.5 8,-0.1 5,-0.1 -0.994 26.3-120.9-136.0 122.7 24.5 80.9 25.1 31 106 A N E >>> -A 36 0A 64 5,-2.1 3,-1.1 -2,-0.4 4,-1.1 -0.526 23.2-153.4 -64.2 116.3 22.1 80.4 22.2 32 107 A A T 345S+ 0 0 84 -2,-0.5 -1,-0.2 1,-0.2 0, 0.0 0.737 87.5 57.5 -68.4 -27.3 22.1 83.8 20.4 33 108 A A T 345S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.565 122.4 25.4 -79.1 -7.6 18.6 83.6 18.9 34 109 A T T <45S- 0 0 79 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.394 92.9-129.6-137.2 -5.7 17.0 83.2 22.3 35 110 A G T <5 + 0 0 65 -4,-1.1 -3,-0.2 1,-0.2 -2,-0.0 0.738 64.7 138.9 53.1 27.8 19.4 84.8 24.8 36 111 A K E < -A 31 0A 140 -5,-1.0 -5,-2.1 2,-0.0 2,-0.4 -0.797 61.0-111.3-107.5 138.6 19.2 81.5 26.7 37 112 A P E +A 30 0A 103 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.569 35.0 177.1 -76.1 126.2 22.1 79.7 28.4 38 113 A A - 0 0 34 -9,-2.0 -9,-0.1 -2,-0.4 -10,-0.1 -0.626 9.6-171.3-126.2 70.8 22.7 76.4 26.6 39 114 A P - 0 0 54 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.220 15.0-160.3 -62.7 156.8 25.8 74.8 28.3 40 115 A M S S+ 0 0 54 -17,-0.2 2,-0.3 -14,-0.2 -13,-0.2 0.261 73.9 57.2-122.9 3.9 27.4 71.8 26.7 41 116 A I S S- 0 0 3 94,-0.2 94,-0.3 -15,-0.1 2,-0.2 -0.918 85.2-118.3-123.2 156.6 29.2 70.4 29.7 42 117 A S > - 0 0 20 92,-1.2 4,-3.0 -2,-0.3 5,-0.2 -0.586 22.6-114.3 -88.8 159.0 27.6 69.5 33.0 43 118 A D H > S+ 0 0 102 -2,-0.2 4,-2.6 2,-0.2 5,-0.3 0.959 115.5 54.9 -48.4 -60.7 28.4 71.1 36.4 44 119 A D H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 117.3 34.7 -42.1 -55.6 29.9 67.9 37.7 45 120 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 112.1 58.3 -72.3 -49.2 32.4 67.5 34.8 46 121 A Y H X S+ 0 0 28 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.923 109.5 47.9 -42.7 -55.3 33.1 71.2 34.2 47 122 A N H X S+ 0 0 60 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.921 108.4 53.6 -48.9 -54.0 34.3 71.3 37.9 48 123 A I H < S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.3 -2,-0.2 0.926 108.7 49.2 -51.5 -50.5 36.5 68.2 37.4 49 124 A V H >< S+ 0 0 1 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.920 111.7 49.2 -55.6 -47.1 38.3 69.7 34.4 50 125 A M H >< S+ 0 0 32 -4,-2.1 3,-1.7 1,-0.3 4,-0.2 0.921 107.7 52.3 -60.1 -50.6 39.0 73.0 36.3 51 126 A E T 3< S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.401 122.6 31.3 -73.5 1.3 40.4 71.4 39.4 52 127 A N T <> S+ 0 0 43 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.3 0.083 76.8 135.3-136.2 25.5 42.8 69.4 37.3 53 128 A K H <> S+ 0 0 93 -3,-1.7 4,-2.6 1,-0.2 -33,-0.2 0.836 75.9 43.5 -46.3 -47.6 43.4 71.8 34.4 54 129 A D H > S+ 0 0 126 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.918 113.6 48.4 -66.2 -46.9 47.2 71.3 34.4 55 130 A K H 4 S+ 0 0 97 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 117.8 44.7 -63.0 -25.9 47.2 67.5 34.8 56 131 A L H >X S+ 0 0 0 -4,-2.0 3,-1.6 -7,-0.2 4,-1.3 0.910 108.0 49.6 -91.3 -47.5 44.6 67.2 32.0 57 132 A N H 3< S+ 0 0 24 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.774 111.0 54.2 -62.9 -26.3 45.8 69.6 29.3 58 133 A S T 3< S+ 0 0 100 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.351 100.3 61.7 -91.9 1.0 49.3 67.9 29.5 59 134 A A T <4 S+ 0 0 20 -3,-1.6 2,-0.5 -5,-0.1 -2,-0.2 0.895 79.2 93.6 -83.1 -49.4 47.8 64.5 29.0 60 135 A I < - 0 0 9 -4,-1.3 2,-1.1 1,-0.1 -1,-0.1 -0.200 62.0-159.6 -57.8 98.1 46.4 65.2 25.5 61 136 A V > - 0 0 63 -2,-0.5 3,-1.4 1,-0.2 -1,-0.1 -0.701 6.1-166.2 -77.0 99.7 49.1 64.1 23.0 62 137 A Y G > S+ 0 0 33 -2,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.662 78.5 75.2 -70.5 -20.7 47.9 66.2 20.0 63 138 A D G > S+ 0 0 126 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.487 83.0 76.5 -62.3 -2.5 50.0 64.2 17.4 64 139 A R G X S+ 0 0 42 -3,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.583 70.5 77.2 -91.4 -10.2 47.3 61.6 18.0 65 140 A D G X S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.610 83.6 70.6 -70.3 -11.8 44.7 63.4 15.9 66 141 A F G < S+ 0 0 72 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.035 74.0 82.7 -95.4 28.4 46.7 62.0 12.9 67 142 A Q G < S+ 0 0 93 -3,-0.8 2,-0.3 2,-0.1 -1,-0.2 0.457 76.2 88.2-103.4 -7.2 45.5 58.4 13.5 68 143 A Y < - 0 0 18 -3,-0.7 472,-0.1 -64,-0.1 -60,-0.1 -0.724 68.9-140.4 -98.8 142.8 42.3 59.0 11.7 69 144 A S > - 0 0 32 470,-0.3 4,-2.0 -2,-0.3 5,-0.3 -0.100 37.7 -76.1 -82.8-176.4 41.8 58.6 7.9 70 145 A Y H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.975 128.3 19.9 -39.7 -82.9 39.9 60.6 5.3 71 146 A F H 4 S+ 0 0 113 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.699 116.4 70.6 -79.2 -13.2 36.3 59.6 6.0 72 147 A G H >> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.986 110.6 31.0 -54.5 -59.1 37.1 58.4 9.5 73 148 A F H 3X S+ 0 0 5 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.805 111.3 61.4 -72.5 -39.5 37.7 62.0 10.7 74 149 A K H 3X S+ 0 0 113 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.538 105.4 53.9 -69.8 -3.4 35.2 63.9 8.4 75 150 A T H <>>S+ 0 0 20 -3,-0.6 4,-1.6 -4,-0.4 5,-0.7 0.782 107.9 46.4 -92.3 -40.9 32.6 61.7 10.2 76 151 A L H X>S+ 0 0 7 -4,-0.9 5,-2.3 3,-0.2 4,-1.3 0.919 117.1 48.3 -61.7 -44.5 33.8 62.9 13.6 77 152 A E H <5S+ 0 0 37 -4,-3.3 -2,-0.2 3,-0.2 -3,-0.2 0.974 111.0 45.6 -58.2 -60.8 33.8 66.4 12.1 78 153 A R H <5S+ 0 0 177 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 135.7 0.4 -60.5 -38.6 30.3 66.4 10.5 79 154 A S H <5S+ 0 0 61 -4,-1.6 -1,-0.2 -5,-0.0 -3,-0.2 0.625 123.4 52.6-127.4 -17.6 28.3 64.8 13.4 80 155 A Y T <> - 0 0 13 -2,-0.5 4,-1.9 -75,-0.2 3,-1.9 -0.500 35.2-107.5 -73.9 160.7 39.2 68.8 18.5 92 167 A P H 3> S+ 0 0 5 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.909 123.6 53.9 -58.1 -40.0 39.1 65.0 18.2 93 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 26,-0.1 0.532 107.5 54.5 -68.2 -5.9 41.4 64.7 21.2 94 169 A H H <> S+ 0 0 0 -3,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.837 103.8 50.6 -93.9 -44.7 39.0 66.9 23.1 95 170 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 112.9 49.5 -54.3 -45.9 35.9 64.7 22.4 96 171 A I H X S+ 0 0 5 -4,-1.9 4,-2.7 2,-0.2 3,-0.2 0.981 111.9 45.6 -59.0 -58.0 37.9 61.7 23.6 97 172 A M H X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.3 -2,-0.2 0.886 113.8 49.2 -55.8 -46.1 39.1 63.4 26.8 98 173 A R H X S+ 0 0 4 -4,-2.7 4,-3.4 2,-0.2 -1,-0.3 0.880 110.8 51.0 -58.0 -41.5 35.6 64.7 27.6 99 174 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.920 108.6 52.6 -61.8 -42.3 34.1 61.2 27.0 100 175 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.872 115.2 39.8 -63.6 -40.0 36.7 59.8 29.4 101 176 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 108.5 60.3 -70.2 -48.4 35.7 62.3 32.1 102 177 A G H < S+ 0 0 2 -4,-3.4 32,-0.4 1,-0.2 -2,-0.2 0.779 117.1 35.8 -49.8 -27.2 32.0 61.9 31.3 103 178 A I H < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.872 122.7 37.6 -91.3 -45.3 32.6 58.3 32.1 104 179 A H H >< S- 0 0 5 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.520 72.8-172.8 -99.0 -9.5 35.1 58.3 35.0 105 180 A G T 3< S- 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.266 72.6 -6.9 56.9-125.0 34.4 61.3 37.3 106 181 A R T 3 S+ 0 0 144 1,-0.1 2,-1.8 -2,-0.1 -1,-0.2 0.533 109.6 95.0 -84.7 -10.2 37.0 61.9 40.1 107 182 A D <> + 0 0 73 -3,-1.6 4,-1.9 1,-0.2 -1,-0.1 -0.683 49.5 167.5 -74.5 81.2 38.9 58.7 39.3 108 183 A I H > S+ 0 0 18 -2,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.685 70.5 65.2 -78.1 -18.4 41.2 60.8 37.1 109 184 A E H > S+ 0 0 122 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.979 105.4 39.8 -59.6 -59.1 43.4 57.7 37.1 110 185 A A H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 113.3 58.2 -57.3 -42.0 40.7 55.7 35.1 111 186 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.949 107.7 44.1 -49.5 -60.2 40.0 58.8 33.0 112 187 A L H X S+ 0 0 37 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.759 114.3 49.5 -60.4 -34.6 43.6 59.1 31.7 113 188 A E H X S+ 0 0 89 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.840 112.8 47.6 -73.8 -37.4 43.9 55.4 31.1 114 189 A T H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.871 110.0 53.8 -70.5 -37.0 40.6 55.5 29.2 115 190 A Y H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.917 107.5 51.0 -61.9 -44.9 41.8 58.5 27.3 116 191 A N H X S+ 0 0 60 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.870 110.3 46.5 -60.0 -42.8 45.0 56.8 26.1 117 192 A L H <>S+ 0 0 24 -4,-1.5 5,-2.9 2,-0.2 6,-0.5 0.917 112.4 50.1 -72.3 -39.5 43.5 53.7 24.8 118 193 A M H ><5S+ 0 0 4 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.876 113.5 46.2 -64.4 -36.6 40.8 55.6 22.9 119 194 A S H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.2 48.7 -75.1 -38.9 43.4 57.9 21.3 120 195 A L T 3<5S- 0 0 67 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.297 118.4-117.6 -79.8 9.3 45.7 55.0 20.4 121 196 A K T < 5 + 0 0 26 -3,-0.6 256,-0.2 2,-0.1 -3,-0.2 0.887 69.2 140.1 56.0 46.3 42.6 53.4 18.9 122 197 A Y S > - 0 0 14 244,-1.7 4,-1.7 -2,-0.2 3,-0.9 -0.244 46.5 -96.1 -68.0 165.1 28.9 53.6 20.8 127 202 A S H 3> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.821 119.8 56.4 -55.9 -47.6 27.5 56.8 19.3 128 203 A P H 3> S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.900 111.4 47.0 -52.2 -40.1 25.2 57.9 22.2 129 204 A T H <> S+ 0 0 0 -3,-0.9 4,-2.7 11,-0.5 -2,-0.2 0.964 111.3 48.9 -63.9 -52.1 28.2 57.8 24.5 130 205 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.909 117.6 42.3 -56.7 -49.5 30.6 59.7 22.2 131 206 A F H < S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.924 128.2 24.4 -52.2 -58.5 27.9 62.5 21.6 132 207 A N H >< S+ 0 0 49 -4,-2.3 3,-2.0 -5,-0.3 -2,-0.2 0.553 81.6 118.9 -98.9 -15.7 26.6 62.9 25.1 133 208 A A T 3< S+ 0 0 0 -4,-2.7 -31,-0.2 1,-0.3 -30,-0.1 -0.338 88.4 12.3 -64.4 132.9 29.2 61.8 27.7 134 209 A G T 3 S+ 0 0 1 -32,-0.4 -92,-1.2 1,-0.3 -1,-0.3 0.593 104.8 117.0 82.8 10.8 30.2 64.6 29.9 135 210 A T S < S- 0 0 19 -3,-2.0 -1,-0.3 -94,-0.3 -94,-0.2 -0.826 82.4 -79.3-119.0 154.6 27.3 66.8 28.8 136 211 A P S S+ 0 0 57 0, 0.0 -93,-0.1 0, 0.0 -92,-0.1 0.542 121.4 8.3 -20.2 -59.4 24.3 68.3 30.8 137 212 A K S S- 0 0 149 -95,-0.1 2,-0.5 277,-0.1 277,-0.1 -0.755 88.0-146.3-131.3 90.1 22.0 65.3 30.8 138 213 A P - 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0 0 32 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.959 56.0-131.1-114.8 107.3 44.6 34.2 7.0 447 522 A P > - 0 0 29 0, 0.0 3,-2.2 0, 0.0 6,-0.4 -0.280 24.6-113.2 -54.3 145.3 41.6 34.0 4.7 448 523 A F T 3 S+ 0 0 18 154,-0.3 154,-0.1 1,-0.3 155,-0.0 0.729 116.4 46.3 -53.0 -27.3 38.1 34.5 6.4 449 524 A D T 3 S+ 0 0 57 152,-0.3 -1,-0.3 4,-0.1 153,-0.0 0.194 90.2 113.0-106.3 13.5 37.2 30.9 5.6 450 525 A S S <> S- 0 0 22 -3,-2.2 4,-1.5 1,-0.1 -4,-0.1 -0.183 76.2-117.4 -76.8 173.7 40.5 29.2 6.7 451 526 A E H > S+ 0 0 106 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.839 116.4 52.4 -79.9 -35.5 41.1 26.8 9.6 452 527 A E H > S+ 0 0 115 2,-0.2 4,-3.0 1,-0.2 -1,-0.1 0.899 111.9 46.0 -62.8 -41.7 43.5 29.3 11.2 453 528 A A H > S+ 0 0 0 -6,-0.4 4,-3.3 2,-0.2 5,-0.2 0.923 110.8 52.7 -67.9 -45.2 40.9 32.1 11.0 454 529 A R H X S+ 0 0 97 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.878 113.1 45.1 -52.4 -44.5 38.2 29.7 12.3 455 530 A L H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.934 112.2 50.9 -65.4 -50.1 40.5 29.1 15.2 456 531 A L H X S+ 0 0 9 -4,-3.0 4,-2.9 1,-0.2 3,-0.4 0.952 106.2 54.9 -53.1 -53.2 41.4 32.8 15.7 457 532 A N H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.879 109.3 49.8 -46.6 -45.0 37.6 33.7 15.8 458 533 A I H X S+ 0 0 17 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.875 114.5 41.5 -62.2 -40.9 37.1 31.2 18.6 459 534 A Q H X S+ 0 0 21 -4,-1.8 4,-2.5 -3,-0.4 5,-0.2 0.848 109.6 55.8 -87.4 -31.9 40.0 32.4 20.8 460 535 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.987 112.9 43.7 -54.5 -57.6 39.5 36.1 20.3 461 536 A F H X S+ 0 0 1 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.800 110.3 57.9 -66.3 -26.4 35.9 35.7 21.5 462 537 A E H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 3,-0.3 0.987 108.4 42.5 -61.8 -60.4 37.0 33.4 24.3 463 538 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.873 112.0 56.4 -57.5 -36.4 39.4 35.9 25.9 464 539 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.908 113.3 39.7 -62.1 -41.7 36.9 38.7 25.5 465 540 A Y H X S+ 0 0 2 -4,-1.8 4,-1.3 -3,-0.3 5,-0.3 0.961 114.8 51.6 -70.6 -50.3 34.2 36.8 27.4 466 541 A H H X S+ 0 0 5 -4,-2.9 4,-1.8 1,-0.2 3,-0.2 0.882 115.1 44.0 -56.6 -41.9 36.6 35.5 30.0 467 542 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.946 109.9 53.1 -66.8 -50.4 37.9 39.0 30.6 468 543 A S H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.666 114.2 44.9 -64.3 -11.9 34.5 40.7 30.7 469 544 A M H X S+ 0 0 9 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.2 0.792 109.2 54.6 -95.6 -36.8 33.4 38.1 33.3 470 545 A E H X S+ 0 0 53 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.920 113.8 41.6 -61.2 -44.2 36.6 38.4 35.4 471 546 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.862 110.4 54.8 -80.0 -31.3 36.2 42.1 35.7 472 547 A S H X S+ 0 0 0 -4,-0.6 51,-2.0 -5,-0.3 4,-1.4 0.832 109.7 53.2 -64.8 -27.1 32.4 42.0 36.3 473 548 A C H X S+ 0 0 3 -4,-1.7 4,-1.7 49,-0.2 3,-0.3 0.954 104.3 50.5 -69.9 -53.0 33.5 39.6 39.1 474 549 A E H X S+ 0 0 58 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.835 109.5 54.3 -52.6 -33.4 36.0 42.0 40.7 475 550 A L H X S+ 0 0 19 -4,-1.7 4,-4.2 2,-0.2 5,-0.3 0.875 104.7 51.0 -73.3 -38.6 33.2 44.7 40.6 476 551 A A H X S+ 0 0 6 -4,-1.4 4,-1.2 -3,-0.3 -1,-0.2 0.770 107.2 57.0 -63.8 -30.4 30.7 42.5 42.5 477 552 A Q H < S+ 0 0 108 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.839 117.7 32.4 -65.5 -34.0 33.6 42.0 44.9 478 553 A K H < S+ 0 0 140 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.887 137.3 18.1 -90.8 -43.1 33.7 45.8 45.4 479 554 A D H < S- 0 0 98 -4,-4.2 -3,-0.2 1,-0.2 -2,-0.1 0.307 109.2-100.6-115.7 4.3 30.1 46.9 45.0 480 555 A G < - 0 0 27 -4,-1.2 -1,-0.2 -5,-0.3 -3,-0.2 0.167 48.1 -67.3 87.6 148.0 28.0 43.7 45.5 481 556 A P - 0 0 54 0, 0.0 42,-0.2 0, 0.0 40,-0.1 -0.214 67.4 -82.0 -53.9 159.8 26.5 41.4 42.8 482 557 A Y > - 0 0 5 40,-1.4 3,-1.5 -55,-0.1 4,-0.3 -0.318 48.4-110.5 -59.8 152.6 23.6 42.8 40.7 483 558 A E T 3 S+ 0 0 127 -57,-0.9 3,-0.3 -58,-0.4 -56,-0.1 0.737 115.0 49.2 -67.1 -20.8 20.3 42.5 42.8 484 559 A T T 3 S+ 0 0 17 -58,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.375 80.3 102.4-104.6 7.0 18.8 39.8 40.6 485 560 A F X + 0 0 19 -3,-1.5 3,-2.1 2,-0.1 2,-0.5 0.821 55.0 92.3 -57.8 -42.1 21.9 37.6 40.6 486 561 A Q T 3 S+ 0 0 173 -3,-0.3 4,-0.0 -4,-0.3 6,-0.0 -0.492 94.7 22.9 -61.7 114.2 20.5 35.1 43.1 487 562 A G T 3 S+ 0 0 49 -2,-0.5 -1,-0.2 1,-0.4 -2,-0.1 0.037 92.7 128.9 119.6 -21.7 18.8 32.5 41.0 488 563 A S S X> S- 0 0 0 -3,-2.1 4,-1.2 -4,-0.2 3,-0.8 -0.214 73.5-114.5 -71.3 154.8 20.7 32.9 37.7 489 564 A P T 34>S+ 0 0 12 0, 0.0 5,-2.8 0, 0.0 4,-0.2 0.815 120.7 58.2 -42.8 -34.1 22.4 30.2 35.7 490 565 A A T >45S+ 0 0 2 -150,-0.3 3,-1.4 1,-0.2 31,-0.1 0.858 96.1 57.5 -71.8 -36.3 25.5 32.2 36.7 491 566 A S T <45S+ 0 0 18 -3,-0.8 -1,-0.2 -6,-0.4 30,-0.1 0.807 107.3 49.8 -66.9 -30.2 25.0 31.9 40.4 492 567 A Q T 3<5S- 0 0 128 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.452 125.1-103.5 -77.5 -8.8 25.0 28.1 40.0 493 568 A G T < 5S+ 0 0 5 -3,-1.4 2,-0.8 1,-0.3 -3,-0.2 0.573 75.6 142.2 89.1 7.4 28.2 28.2 38.0 494 569 A I < - 0 0 72 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.778 30.5-172.5 -83.5 110.6 26.4 27.7 34.6 495 570 A L > - 0 0 3 -2,-0.8 4,-1.4 -3,-0.1 3,-0.1 -0.341 39.5 -85.3 -97.1 179.7 28.2 30.0 32.1 496 571 A Q T 4 S+ 0 0 3 1,-0.2 3,-0.2 2,-0.2 4,-0.2 0.868 125.0 42.9 -60.2 -39.6 27.3 30.7 28.5 497 572 A F T >4>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 3,-1.5 0.851 104.5 65.6 -79.5 -30.7 29.0 27.8 26.8 498 573 A D G >45S+ 0 0 52 1,-0.3 3,-1.3 3,-0.2 -1,-0.2 0.898 101.4 49.6 -49.9 -44.1 27.8 25.3 29.4 499 574 A M G 3<5S+ 0 0 33 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.431 107.1 52.9 -88.0 4.1 24.2 26.0 28.3 500 575 A W G < 5S- 0 0 28 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.275 118.8-119.8 -98.2 -0.1 25.2 25.4 24.7 501 576 A D T < 5 + 0 0 154 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.875 67.8 127.2 63.2 42.4 26.6 22.1 26.1 502 577 A Q < - 0 0 91 -5,-2.1 -1,-0.2 121,-0.1 -2,-0.2 -0.947 62.1-120.8-126.5 149.3 30.3 22.6 25.1 503 578 A K - 0 0 191 -2,-0.3 3,-0.0 1,-0.1 0, 0.0 -0.569 45.4-109.1 -69.5 147.3 33.6 22.5 26.8 504 579 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 120,-0.0 -0.198 28.2-106.2 -67.6 175.6 35.2 25.9 26.4 505 580 A Y - 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0 0 91 2,-0.0 2,-0.5 -5,-0.0 -3,-0.2 -0.985 360.0-169.9-125.6 123.9 37.2 55.8 -4.8 559 640 A V E -Q 554 0J 47 -5,-3.1 -5,-3.1 -2,-0.4 2,-0.4 -0.958 8.9-151.5-119.2 122.9 39.1 53.9 -2.1 560 641 A V E -Q 553 0J 29 -2,-0.5 -7,-0.3 -7,-0.3 -8,-0.1 -0.756 40.4 -84.6 -94.3 136.8 40.7 50.5 -2.5 561 642 A N > - 0 0 14 -9,-4.3 4,-3.0 -2,-0.4 5,-0.1 -0.104 39.8-143.3 -36.1 116.0 41.2 48.0 0.4 562 643 A P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.956 94.2 52.0 -51.9 -58.4 44.5 49.1 1.9 563 644 A Y H > S+ 0 0 51 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.838 116.9 40.4 -55.6 -41.4 45.9 45.6 2.8 564 645 A L H >> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.1 3,-0.5 0.970 109.6 60.3 -62.7 -58.2 45.2 44.3 -0.7 565 646 A L H 3X S+ 0 0 58 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.835 107.7 44.9 -37.9 -52.7 46.5 47.6 -2.3 566 647 A R H 3X S+ 0 0 162 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.904 109.5 56.4 -59.7 -44.6 49.9 47.2 -0.8 567 648 A D H S+ 0 0 3 -4,-2.0 5,-2.0 1,-0.2 6,-0.5 0.903 109.1 47.7 -61.3 -46.6 49.5 44.2 -5.4 569 650 A V H ><5S+ 0 0 77 -4,-1.4 3,-0.9 -5,-0.2 -1,-0.2 0.810 111.2 51.8 -70.1 -31.9 52.3 46.8 -5.7 570 651 A D H 3<5S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.9 53.4 -66.8 -41.8 54.8 44.5 -3.9 571 652 A L T 3<5S- 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.198 112.8-125.8 -77.4 15.1 53.8 41.7 -6.4 572 653 A G T < 5S+ 0 0 68 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.665 83.8 104.7 48.0 28.9 54.7 44.3 -9.1 573 654 A I < + 0 0 26 -5,-2.0 2,-1.3 2,-0.1 5,-0.2 0.297 38.0 114.5-118.5 7.2 51.3 43.9 -10.9 574 655 A W + 0 0 80 -6,-0.5 -2,-0.1 4,-0.1 -1,-0.0 -0.660 38.3 125.6 -86.6 91.0 49.5 47.1 -9.8 575 656 A D S S- 0 0 96 -2,-1.3 4,-0.2 0, 0.0 -1,-0.1 0.224 76.3 -77.7-110.1-124.3 49.0 49.1 -13.0 576 657 A E S > S+ 0 0 115 2,-0.1 4,-2.7 3,-0.1 5,-0.2 0.675 122.0 62.9-114.3 -36.7 45.8 50.6 -14.5 577 658 A G H > S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 -3,-0.1 0.872 105.2 52.9 -55.7 -38.4 44.3 47.4 -16.0 578 659 A M H >4 S+ 0 0 16 2,-0.2 3,-0.5 -5,-0.2 -1,-0.2 0.927 107.3 48.5 -62.4 -49.5 44.2 46.3 -12.4 579 660 A K H >> S+ 0 0 69 -4,-0.2 3,-1.0 1,-0.2 4,-0.9 0.911 111.4 52.1 -57.5 -40.6 42.3 49.4 -11.2 580 661 A Q H 3X S+ 0 0 117 -4,-2.7 4,-0.7 1,-0.3 5,-0.3 0.694 99.6 61.4 -75.2 -22.2 39.8 49.0 -14.1 581 662 A Y H << S+ 0 0 94 -4,-1.3 -1,-0.3 -3,-0.5 7,-0.2 -0.030 108.9 44.2 -90.7 31.8 39.0 45.4 -13.3 582 663 A L H <4>S+ 0 0 5 -3,-1.0 5,-0.5 5,-0.1 -2,-0.2 0.431 98.6 72.8-132.9 -22.5 37.7 46.5 -9.9 583 664 A I H <5S+ 0 0 68 -4,-0.9 3,-0.4 1,-0.2 -2,-0.1 0.974 115.2 12.2 -63.4 -64.9 35.7 49.5 -10.9 584 665 A T T <5S+ 0 0 112 -4,-0.7 2,-0.2 1,-0.2 -1,-0.2 0.753 117.9 72.2 -86.6 -24.3 32.6 48.1 -12.6 585 666 A Q T > 5S- 0 0 56 -5,-0.3 3,-1.3 1,-0.1 -1,-0.2 -0.082 111.5-107.3 -91.9 33.6 33.2 44.5 -11.5 586 667 A N T 3 5 - 0 0 115 -3,-0.4 -33,-0.3 1,-0.3 -34,-0.2 0.332 59.6 -73.6 70.8 -2.3 32.2 45.1 -7.9 587 668 A G T 3 - 0 0 12 -3,-0.4 3,-1.1 3,-0.2 -1,-0.1 -0.970 54.2-109.4-125.4 118.6 41.4 37.9 -12.8 593 674 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.476 101.7 4.5 -11.0 -52.1 44.1 37.6 -15.6 594 675 A N T 3 S+ 0 0 106 -21,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.267 85.2 121.8-149.9 55.4 47.2 37.7 -13.3 595 676 A V < - 0 0 12 -3,-1.1 -3,-0.2 -6,-0.1 5,-0.2 -0.978 65.8-102.8-130.3 120.9 46.8 37.8 -9.5 596 677 A P >> - 0 0 47 0, 0.0 3,-2.1 0, 0.0 4,-1.6 -0.055 24.9-123.9 -53.6 128.5 48.3 35.0 -7.3 597 678 A Q H 3> S+ 0 0 121 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.684 109.3 61.4 -43.7 -27.6 45.8 32.4 -6.0 598 679 A E H 3> S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.851 104.1 47.6 -73.4 -33.3 46.8 33.2 -2.4 599 680 A L H <> S+ 0 0 2 -3,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.913 108.6 55.4 -67.5 -44.7 45.6 36.8 -2.7 600 681 A K H < S+ 0 0 22 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.807 109.0 48.6 -51.8 -32.9 42.4 35.5 -4.3 601 682 A D H < S+ 0 0 57 -4,-1.0 3,-0.4 -5,-0.3 -152,-0.3 0.838 114.6 44.3 -81.1 -32.8 42.0 33.4 -1.2 602 683 A L H < S+ 0 0 6 -4,-1.5 -154,-0.3 1,-0.2 -2,-0.2 0.813 111.0 51.2 -79.6 -33.4 42.6 36.3 1.2 603 684 A Y S < S+ 0 0 2 -4,-2.6 -14,-0.5 -156,-0.1 -1,-0.2 -0.082 73.3 154.5-106.7 37.0 40.5 39.0 -0.4 604 685 A K - 0 0 42 -3,-0.4 2,-0.3 -16,-0.1 -55,-0.3 -0.422 41.8-128.1 -66.2 132.7 37.1 37.3 -0.8 605 686 A T >> - 0 0 4 -2,-0.2 3,-4.0 -55,-0.1 4,-0.7 -0.636 29.9-110.3 -70.8 133.3 34.0 39.3 -1.0 606 687 A V T 34 S+ 0 0 0 -57,-3.3 28,-0.2 -2,-0.3 -56,-0.1 0.601 120.4 61.8 -41.4 -18.6 31.3 38.2 1.5 607 688 A W T 34 S+ 0 0 70 -57,-0.2 -1,-0.3 1,-0.2 29,-0.2 0.678 102.0 51.6 -82.2 -21.2 29.3 36.9 -1.6 608 689 A E T <4 S+ 0 0 67 -3,-4.0 2,-0.6 2,-0.1 -2,-0.2 0.485 92.8 84.4 -94.7 -6.6 32.2 34.6 -2.4 609 690 A I S < S- 0 0 4 -4,-0.7 2,-0.0 -5,-0.0 -161,-0.0 -0.855 92.8-116.5 -90.2 128.9 32.2 33.2 1.1 610 691 A S >> - 0 0 68 -2,-0.6 4,-1.6 1,-0.2 3,-1.0 -0.420 14.4-129.9 -61.6 139.5 29.6 30.4 1.3 611 692 A Q H 3> S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.643 108.0 69.2 -67.7 -8.2 26.9 31.4 3.8 612 693 A K H 3> S+ 0 0 124 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.853 101.2 44.7 -71.8 -36.3 27.5 27.9 5.2 613 694 A T H <> S+ 0 0 36 -3,-1.0 4,-2.0 2,-0.2 5,-0.3 0.956 111.3 51.7 -71.8 -53.6 30.9 29.1 6.4 614 695 A I H X S+ 0 0 14 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.936 110.1 49.7 -42.6 -56.5 29.6 32.4 7.8 615 696 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.924 107.9 55.5 -55.4 -44.4 26.9 30.5 9.8 616 697 A N H X S+ 0 0 56 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.901 110.0 43.0 -56.1 -49.7 29.6 28.1 11.2 617 698 A M H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.871 112.5 54.3 -63.2 -38.5 31.8 30.8 12.6 618 699 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.886 111.0 46.7 -61.8 -36.3 28.7 32.6 13.9 619 700 A A H < S+ 0 0 6 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.812 111.8 52.7 -74.5 -33.1 27.8 29.3 15.6 620 701 A D H >< S+ 0 0 28 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.913 112.1 40.1 -69.3 -47.2 31.3 29.0 17.0 621 702 A R H >< S+ 0 0 6 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.765 99.8 78.5 -75.1 -24.8 31.7 32.5 18.6 622 703 A S G >< S+ 0 0 7 -4,-1.2 3,-1.1 -5,-0.3 -1,-0.2 0.667 77.9 69.6 -57.1 -25.9 28.1 32.3 20.0 623 704 A V G < S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.750 107.3 39.1 -64.1 -25.8 29.2 29.9 22.8 624 705 A Y G < S+ 0 0 8 -3,-2.2 2,-0.7 -4,-0.2 -1,-0.2 0.220 93.5 102.1-107.4 12.2 31.0 32.9 24.3 625 706 A I < - 0 0 1 -3,-1.1 -96,-0.1 1,-0.1 4,-0.1 -0.870 54.6-163.5-104.2 113.2 28.3 35.5 23.4 626 707 A D S S+ 0 0 6 -2,-0.7 -286,-0.5 2,-0.1 -97,-0.2 0.687 81.9 16.5 -65.7 -27.9 26.2 36.3 26.5 627 708 A Q S S- 0 0 0 -99,-1.9 2,-0.2 1,-0.3 -271,-0.2 0.155 106.2 -80.7-112.2-133.5 23.4 37.8 24.4 628 709 A S - 0 0 4 -273,-2.2 2,-0.3 28,-0.1 -1,-0.3 -0.627 38.9-122.4-118.9-172.0 23.0 37.3 20.6 629 710 A H - 0 0 4 -2,-0.2 2,-1.0 -275,-0.2 -98,-0.2 -1.000 22.3-105.4-141.4 150.2 24.7 38.9 17.6 630 711 A S - 0 0 2 -100,-1.2 2,-0.8 -2,-0.3 -275,-0.1 -0.523 40.9-173.7 -69.0 97.5 23.7 40.8 14.5 631 712 A L - 0 0 6 -2,-1.0 29,-2.9 -277,-0.2 2,-0.3 -0.868 2.9-166.2-100.2 102.9 24.1 38.2 11.8 632 713 A N - 0 0 10 -2,-0.8 2,-0.4 27,-0.2 30,-0.2 -0.650 7.7-147.2 -82.7 148.3 23.7 39.7 8.3 633 714 A L E -r 662 0K 1 28,-1.6 30,-2.2 -2,-0.3 2,-0.4 -0.945 10.0-166.8-122.4 141.4 23.2 37.4 5.4 634 715 A F E +r 663 0K 9 -2,-0.4 2,-0.3 -28,-0.2 30,-0.2 -0.976 12.3 166.1-131.1 116.4 24.4 37.9 1.8 635 716 A L - 0 0 12 28,-1.4 -28,-0.1 -2,-0.4 -25,-0.0 -0.969 18.5-164.0-124.3 145.6 23.3 35.8 -1.3 636 717 A R S S+ 0 0 172 -2,-0.3 29,-0.4 -29,-0.2 -1,-0.1 0.912 88.1 27.7 -89.0 -55.1 23.7 36.7 -5.0 637 718 A A S S- 0 0 85 28,-0.2 2,-0.8 27,-0.1 -1,-0.2 -0.653 83.9-166.1-109.1 74.2 21.4 34.4 -6.8 638 719 A P + 0 0 38 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.510 9.5 179.7 -82.1 106.8 18.7 33.8 -4.2 639 720 A T > - 0 0 90 -2,-0.8 4,-1.6 1,-0.1 5,-0.2 -0.519 43.6-106.5 -87.4 163.1 16.3 30.9 -4.9 640 721 A M H > S+ 0 0 113 1,-0.2 4,-1.8 -2,-0.2 -1,-0.1 0.933 121.2 46.9 -57.8 -48.0 13.5 30.0 -2.4 641 722 A G H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.813 103.1 63.0 -63.8 -34.7 15.3 26.9 -1.2 642 723 A K H >> S+ 0 0 93 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.970 108.9 40.9 -58.8 -54.1 18.7 28.7 -0.9 643 724 A L H >X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 3,-0.7 0.878 109.0 62.6 -50.0 -46.4 17.2 31.0 1.8 644 725 A T H 3X S+ 0 0 38 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.810 105.3 45.2 -55.7 -33.8 15.3 28.0 3.3 645 726 A S H S+ 0 0 1 -4,-1.9 5,-2.1 1,-0.2 -1,-0.2 0.859 112.2 53.2 -60.7 -43.7 21.4 28.2 11.6 651 732 A W H ><5S+ 0 0 32 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.898 109.8 48.6 -54.4 -45.0 18.4 27.2 13.6 652 733 A K H 3<5S+ 0 0 126 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.694 103.7 61.3 -74.8 -17.1 19.8 23.7 13.9 653 734 A K T 3<5S- 0 0 64 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.502 117.7-118.8 -79.3 -4.8 23.0 25.3 14.9 654 735 A G T < 5 + 0 0 14 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.654 52.5 169.0 70.5 20.1 21.1 26.7 17.9 655 736 A L < - 0 0 3 -5,-2.1 -1,-0.2 1,-0.1 -321,-0.2 -0.308 31.4-151.9 -56.9 142.5 21.7 30.3 16.9 656 737 A K S S+ 0 0 3 1,-0.3 -325,-4.6 -322,-0.2 2,-0.7 0.944 91.0 39.5 -81.6 -57.6 19.7 33.0 18.7 657 738 A T E +K 330 0D 5 -327,-0.3 -1,-0.3 1,-0.2 -327,-0.2 -0.871 67.9 176.9 -90.6 111.9 19.7 35.5 15.9 658 739 A G E + 0 0 5 -329,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.913 69.5 0.1 -79.5 -48.6 19.2 33.5 12.6 659 740 A M E +K 329 0D 0 -330,-1.7 -330,-3.0 1,-0.1 -1,-0.3 -0.982 49.2 176.0-145.5 131.3 19.1 36.5 10.3 660 741 A Y S S- 0 0 27 -29,-2.9 -28,-0.2 1,-0.4 -331,-0.1 0.633 77.7 -3.5 -88.6-101.3 19.3 40.3 10.8 661 742 A Y - 0 0 37 -333,-0.1 -28,-1.6 -335,-0.1 -1,-0.4 -0.321 59.3-143.8 -86.6 172.8 19.3 41.7 7.3 662 743 A L E -r 633 0K 6 -337,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.843 15.7-168.3-135.6 96.0 19.1 39.9 3.9 663 744 A R E -r 634 0K 116 -30,-2.2 -28,-1.4 -2,-0.3 2,-0.1 -0.762 22.6-178.2 -89.6 131.6 21.2 41.9 1.2 664 745 A T 0 0 42 -2,-0.4 -28,-0.1 -30,-0.2 -27,-0.1 -0.422 360.0 360.0-125.2-176.9 20.5 40.4 -2.2 665 746 A Q 0 0 182 -29,-0.4 -28,-0.2 -2,-0.1 -2,-0.0 0.553 360.0 360.0 90.4 360.0 21.1 40.4 -6.0