==== 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 3S87 . 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) . 26337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.3 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.7 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 3 1 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 3 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 0 159 0, 0.0 4,-0.2 0, 0.0 558,-0.0 0.000 360.0 360.0 360.0 -48.6 43.4 59.3 0.9 2 77 A L + 0 0 136 2,-0.1 3,-0.2 1,-0.1 4,-0.1 0.519 360.0 82.2-110.4 -19.0 45.3 62.5 1.5 3 78 A A S > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.540 86.6 64.3 -65.7 -6.7 42.2 64.7 1.8 4 79 A A H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.932 98.5 46.3 -79.4 -57.6 42.1 63.4 5.4 5 80 A R H 4 S+ 0 0 66 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.357 117.6 52.4 -66.1 8.1 45.4 64.9 6.7 6 81 A I H > S+ 0 0 61 -4,-0.1 4,-1.4 3,-0.1 -2,-0.2 0.775 110.3 39.4-108.5 -50.3 43.9 68.0 4.9 7 82 A A H X S+ 0 0 24 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.741 116.2 52.0 -76.8 -27.3 40.4 68.3 6.5 8 83 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.888 106.9 54.2 -70.3 -44.6 41.6 67.4 10.0 9 84 A S H > S+ 0 0 41 -5,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.883 106.4 53.3 -52.3 -43.3 44.3 70.1 9.7 10 85 A N H X S+ 0 0 73 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.860 106.0 51.2 -64.1 -40.6 41.5 72.6 8.9 11 86 A L H X S+ 0 0 12 -4,-1.2 4,-0.7 2,-0.2 3,-0.2 0.943 107.2 54.2 -59.9 -50.1 39.5 71.7 12.0 12 87 A H H >< S+ 0 0 38 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.906 110.1 47.0 -46.0 -50.0 42.7 72.2 14.1 13 88 A K H 3< S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.1 45.0 -63.1 -35.2 43.0 75.7 12.6 14 89 A Q H 3< S+ 0 0 133 -4,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.315 108.7 68.2 -96.0 6.9 39.3 76.4 13.2 15 90 A T S << S- 0 0 19 -3,-1.0 2,-0.1 -4,-0.7 74,-0.1 -0.916 85.5-106.1-125.2 151.9 39.2 75.0 16.8 16 91 A T - 0 0 62 -2,-0.3 75,-0.1 73,-0.3 -2,-0.1 -0.470 29.2-150.0 -65.7 146.5 40.7 76.0 20.2 17 92 A K + 0 0 131 -2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 0.939 66.0 84.0 -90.0 -51.9 43.6 73.7 21.2 18 93 A Q >> - 0 0 111 1,-0.1 4,-1.8 2,-0.1 3,-1.7 -0.354 67.8-144.7 -66.9 119.9 43.7 73.5 25.0 19 94 A F H 3> S+ 0 0 3 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.878 96.8 54.1 -50.3 -47.8 41.3 70.8 26.3 20 95 A S H 3> S+ 0 0 6 1,-0.2 4,-0.8 33,-0.2 -1,-0.3 0.643 108.5 52.0 -66.9 -14.9 40.3 72.7 29.5 21 96 A K H <> S+ 0 0 91 -3,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.870 106.4 49.7 -87.3 -43.5 39.4 75.7 27.5 22 97 A V H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.933 111.3 52.4 -58.6 -42.2 37.1 73.9 25.0 23 98 A V H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.884 108.1 51.4 -56.5 -39.6 35.5 72.4 28.2 24 99 A E H X S+ 0 0 45 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.945 109.8 48.5 -66.8 -47.5 35.1 76.0 29.4 25 100 A D H >X S+ 0 0 54 -4,-2.9 4,-0.9 1,-0.2 3,-0.5 0.952 113.6 47.2 -56.6 -51.0 33.4 77.1 26.2 26 101 A L H >< S+ 0 0 1 -4,-3.0 14,-1.8 1,-0.2 3,-0.8 0.931 113.4 48.4 -53.3 -46.8 31.1 74.1 26.3 27 102 A Y H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 115.1 42.2 -71.8 -25.0 30.2 74.7 30.0 28 103 A R H << S+ 0 0 141 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.392 84.9 135.4-106.2 -3.3 29.5 78.4 29.7 29 104 A Y << - 0 0 39 -4,-0.9 9,-2.0 -3,-0.8 2,-0.4 -0.103 37.7-158.9 -47.7 138.5 27.6 78.2 26.4 30 105 A V E -A 37 0A 67 7,-0.2 2,-0.7 8,-0.1 3,-0.1 -0.988 24.1-119.8-123.8 132.4 24.3 80.1 26.1 31 106 A N E >>> -A 36 0A 58 5,-2.7 4,-1.3 -2,-0.4 5,-0.9 -0.629 28.3-157.5 -68.6 112.1 21.6 79.4 23.7 32 107 A A T 345S+ 0 0 76 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.903 82.9 55.9 -62.3 -45.0 21.6 82.7 21.8 33 108 A A T 345S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.679 125.8 22.7 -63.9 -19.4 18.0 82.6 20.3 34 109 A T T <45S- 0 0 79 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.431 96.2-130.5-123.2 -8.6 16.5 82.2 23.8 35 110 A G T <5 + 0 0 52 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.1 0.773 57.4 144.4 52.1 33.1 19.2 83.6 26.0 36 111 A K E < -A 31 0A 148 -5,-0.9 -5,-2.7 2,-0.0 2,-0.2 -0.843 60.0-110.5 -98.5 132.7 19.1 80.5 28.2 37 112 A P E -A 30 0A 104 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.460 37.8-177.2 -58.0 121.8 22.3 79.1 29.8 38 113 A A - 0 0 34 -9,-2.0 -9,-0.2 -2,-0.2 -8,-0.1 -0.490 4.8-168.9-119.7 59.6 22.8 75.8 28.0 39 114 A P - 0 0 52 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.241 9.6-162.6 -57.6 134.8 25.8 74.2 29.6 40 115 A M S S+ 0 0 38 -14,-1.8 2,-0.4 -17,-0.2 -13,-0.2 0.297 71.4 63.2-102.7 9.5 27.0 71.2 27.5 41 116 A I S S- 0 0 3 -15,-0.2 94,-0.3 94,-0.2 93,-0.1 -0.995 89.4-112.3-129.9 136.1 29.1 69.6 30.3 42 117 A S > - 0 0 18 92,-1.8 4,-1.9 -2,-0.4 5,-0.1 -0.292 27.3-118.1 -59.5 153.7 27.8 68.3 33.6 43 118 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 114.3 54.3 -56.2 -42.2 28.9 70.3 36.7 44 119 A D H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 110.2 42.7 -68.8 -44.2 30.6 67.3 38.0 45 120 A V H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.804 113.3 55.7 -71.3 -29.4 32.8 66.7 34.9 46 121 A Y H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.952 108.7 45.4 -63.7 -52.9 33.5 70.5 34.7 47 122 A N H X S+ 0 0 68 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.865 110.0 55.4 -58.6 -41.0 34.8 70.7 38.2 48 123 A I H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.887 108.4 48.1 -60.7 -40.4 36.9 67.6 37.7 49 124 A V H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.852 110.9 50.2 -69.4 -36.3 38.6 69.1 34.7 50 125 A M H >< S+ 0 0 36 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.893 109.4 50.6 -73.2 -36.2 39.4 72.4 36.4 51 126 A E T 3< S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.500 123.7 31.5 -76.9 -2.5 40.9 70.6 39.4 52 127 A N T <> S+ 0 0 39 -3,-0.7 4,-2.9 -4,-0.3 5,-0.3 -0.029 75.8 133.0-140.9 32.3 43.1 68.6 37.1 53 128 A K H <> S+ 0 0 92 -3,-0.9 4,-3.3 1,-0.2 5,-0.2 0.844 72.2 47.6 -66.2 -37.5 43.8 70.9 34.1 54 129 A D H > S+ 0 0 135 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.967 117.2 42.8 -65.2 -52.7 47.6 70.4 33.8 55 130 A K H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.941 120.7 42.3 -57.3 -50.7 47.4 66.6 34.0 56 131 A L H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.921 116.3 47.7 -63.1 -47.3 44.4 66.5 31.7 57 132 A N H < S+ 0 0 25 -4,-3.3 3,-0.5 -5,-0.3 -38,-0.2 0.892 115.5 44.0 -63.6 -40.4 45.7 69.1 29.3 58 133 A S H < S+ 0 0 97 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.753 102.1 65.4 -80.7 -27.6 49.1 67.5 29.0 59 134 A A H < S+ 0 0 28 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.736 82.3 97.8 -62.2 -24.5 48.0 63.8 28.6 60 135 A I < - 0 0 13 -4,-0.7 2,-0.7 -3,-0.5 -41,-0.0 -0.521 57.8-160.7 -79.3 132.3 46.3 64.5 25.3 61 136 A V > - 0 0 60 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.896 4.8-172.4-111.7 98.4 48.2 63.7 22.0 62 137 A Y G > S+ 0 0 26 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.604 79.0 76.9 -71.8 -12.2 46.6 65.7 19.2 63 138 A D G > S+ 0 0 127 1,-0.2 3,-2.1 2,-0.2 -1,-0.3 0.837 84.3 68.6 -58.2 -32.2 48.7 63.8 16.6 64 139 A R G X S+ 0 0 42 -3,-1.7 3,-2.7 1,-0.3 4,-0.3 0.752 75.4 79.8 -65.0 -23.4 46.2 61.1 17.3 65 140 A D G < S+ 0 0 0 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.627 86.7 63.5 -54.4 -12.1 43.5 63.2 15.5 66 141 A F G < S+ 0 0 89 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.272 76.2 85.1-101.2 8.4 45.2 61.8 12.4 67 142 A Q S < S+ 0 0 82 -3,-2.7 2,-0.4 52,-0.1 -1,-0.2 0.708 74.9 90.8 -69.5 -24.2 44.3 58.1 13.2 68 143 A Y S S- 0 0 13 -3,-0.4 472,-0.1 -4,-0.3 -60,-0.1 -0.624 73.4-136.4 -85.9 128.2 40.9 58.8 11.5 69 144 A S > - 0 0 57 -2,-0.4 4,-2.6 470,-0.3 5,-0.2 -0.074 37.6 -94.0 -61.8 177.8 40.4 58.1 7.8 70 145 A Y H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.900 125.6 43.2 -71.6 -45.5 38.5 60.7 5.8 71 146 A F H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 114.2 54.6 -64.3 -40.6 35.0 59.1 6.1 72 147 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.952 109.9 44.1 -57.2 -56.4 35.7 58.5 9.8 73 148 A F H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.916 113.6 51.0 -52.4 -49.2 36.6 62.1 10.6 74 149 A K H X S+ 0 0 38 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.882 107.9 52.8 -62.9 -35.9 33.6 63.3 8.6 75 150 A T H X>S+ 0 0 19 -4,-2.7 4,-1.9 2,-0.2 5,-0.5 0.955 112.1 46.0 -59.0 -50.3 31.3 61.0 10.5 76 151 A L H X>S+ 0 0 6 -4,-2.5 5,-2.6 1,-0.2 4,-1.5 0.900 113.4 50.4 -53.9 -47.1 32.7 62.4 13.7 77 152 A E H <5S+ 0 0 67 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.921 111.2 46.9 -59.8 -49.2 32.3 66.0 12.3 78 153 A R H <5S+ 0 0 194 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.930 133.2 1.8 -63.7 -49.5 28.7 65.6 11.2 79 154 A S H <5S+ 0 0 68 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.677 126.6 43.5-119.2 -19.3 27.1 64.0 14.3 80 155 A Y T <> - 0 0 13 -2,-0.4 4,-2.0 -75,-0.1 3,-0.9 -0.668 41.0-102.7 -86.9 160.0 38.6 67.9 18.3 92 167 A P H 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.907 124.3 55.2 -51.1 -43.8 38.3 64.1 18.3 93 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.871 107.0 52.6 -56.1 -32.9 40.9 63.9 21.2 94 169 A H H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.930 107.7 49.2 -71.4 -48.1 38.6 66.2 23.1 95 170 A L H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.942 110.6 51.4 -48.1 -55.3 35.6 64.1 22.6 96 171 A I H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.940 111.4 46.6 -52.1 -50.3 37.6 61.1 23.7 97 172 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.902 110.6 52.4 -65.5 -39.7 38.7 62.7 26.9 98 173 A R H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.915 111.3 48.3 -57.6 -44.1 35.2 64.0 27.7 99 174 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.931 109.7 50.8 -61.3 -47.1 33.9 60.5 27.3 100 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.841 116.6 41.9 -63.9 -32.6 36.6 59.0 29.5 101 176 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.821 110.9 56.3 -77.5 -36.8 35.8 61.5 32.2 102 177 A G H < S+ 0 0 3 -4,-2.9 32,-0.3 -5,-0.2 -2,-0.2 0.877 117.1 36.8 -59.0 -36.7 32.1 61.1 31.6 103 178 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.895 126.9 33.9 -85.4 -42.0 32.5 57.4 32.3 104 179 A H H >< S- 0 0 11 -4,-2.0 3,-1.7 -5,-0.3 -3,-0.2 0.659 74.7-179.4 -98.2 -17.1 35.1 57.6 35.0 105 180 A G T 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 6,-0.1 -0.295 74.0 2.2 57.3-129.2 34.5 60.7 37.1 106 181 A R T 3 S+ 0 0 139 1,-0.1 2,-2.0 2,-0.1 -1,-0.2 0.666 108.7 93.6 -65.7 -21.4 37.0 61.3 39.9 107 182 A D <> + 0 0 65 -3,-1.7 4,-2.0 1,-0.2 -1,-0.1 -0.526 52.2 171.3 -76.5 82.8 39.0 58.1 39.0 108 183 A I H > S+ 0 0 18 -2,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.878 71.2 54.9 -66.2 -42.0 41.5 60.1 36.8 109 184 A E H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 109.5 48.0 -59.9 -43.7 43.9 57.1 36.3 110 185 A A H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 112.8 50.2 -61.9 -36.9 41.0 55.0 34.9 111 186 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 109.1 49.9 -67.8 -41.5 40.0 58.0 32.7 112 187 A L H X S+ 0 0 23 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.910 110.2 51.2 -59.6 -44.4 43.6 58.4 31.4 113 188 A E H X S+ 0 0 80 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.941 112.0 46.1 -61.0 -48.2 43.7 54.6 30.6 114 189 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.896 110.9 54.5 -61.5 -39.4 40.4 54.9 28.6 115 190 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.949 111.6 43.4 -59.3 -46.8 41.7 58.0 26.9 116 191 A N H X S+ 0 0 62 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.966 115.8 47.2 -63.2 -50.9 44.9 56.2 25.7 117 192 A L H <>S+ 0 0 12 -4,-2.8 5,-2.9 1,-0.2 6,-0.6 0.884 117.4 41.7 -61.8 -39.6 43.1 53.0 24.6 118 193 A M H ><5S+ 0 0 5 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.928 114.3 50.0 -73.9 -43.6 40.3 54.9 22.8 119 194 A S H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.815 113.1 47.8 -64.9 -29.4 42.6 57.5 21.2 120 195 A L T 3<5S- 0 0 61 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.364 118.2-118.3 -88.9 0.2 44.9 54.6 20.0 121 196 A K T < 5 + 0 0 15 -3,-1.4 256,-0.3 2,-0.2 -3,-0.2 0.782 69.7 136.3 70.2 37.8 41.7 52.8 18.7 122 197 A Y S > - 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0 0 16 -4,-1.7 2,-0.6 -3,-0.5 -274,-0.2 -0.244 60.8-136.4 -65.4 144.4 23.5 57.0 33.3 414 489 A Y - 0 0 102 -276,-2.7 -273,-0.3 -277,-0.0 -1,-0.1 -0.932 24.0-149.9 -93.9 115.3 20.5 59.2 33.0 415 490 A Y - 0 0 27 -2,-0.6 6,-0.0 1,-0.1 -276,-0.0 -0.754 7.3-145.9 -88.7 128.5 17.5 56.9 32.4 416 491 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.807 82.5 21.3 -64.9 -33.4 14.6 58.5 30.3 417 492 A V S >> S- 0 0 12 -52,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.955 78.0-118.3-135.0 154.2 11.8 56.6 32.2 418 493 A E H 3> S+ 0 0 106 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.830 110.7 64.3 -61.1 -36.1 11.6 54.9 35.6 419 494 A E H 3> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -54,-1.6 0.842 103.8 49.1 -56.6 -36.1 10.9 51.5 34.1 420 495 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -56,-0.2 5,-0.2 0.896 111.0 48.3 -70.4 -41.1 14.4 51.6 32.5 421 496 A R H X S+ 0 0 100 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.967 110.4 51.0 -64.6 -49.6 16.2 52.6 35.8 422 497 A K H X S+ 0 0 70 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.916 114.4 44.6 -53.5 -48.4 14.4 49.9 37.8 423 498 A S H X>S+ 0 0 2 -4,-1.6 4,-2.2 -58,-0.2 5,-0.5 0.966 115.2 45.9 -58.5 -55.0 15.5 47.2 35.2 424 499 A N H X5S+ 0 0 0 -4,-2.5 4,-1.0 -59,-0.3 -2,-0.2 0.900 112.1 48.6 -65.1 -39.8 19.1 48.4 34.8 425 500 A M H <5S+ 0 0 56 -4,-2.8 58,-0.4 -5,-0.2 -1,-0.2 0.822 116.0 46.2 -68.3 -28.5 19.9 48.8 38.5 426 501 A R H <5S+ 0 0 71 -4,-1.3 58,-0.9 -3,-0.4 57,-0.5 0.910 128.3 18.1 -75.4 -44.7 18.4 45.4 39.3 427 502 A H H <5S- 0 0 1 -4,-2.2 98,-1.5 56,-0.1 -3,-0.2 0.848 80.8-156.0-115.2 -35.5 20.0 43.2 36.6 428 503 A R << + 0 0 7 -4,-1.0 98,-0.2 -5,-0.5 -4,-0.1 0.833 19.8 178.2 70.2 39.8 22.9 45.2 35.3 429 504 A P - 0 0 0 0, 0.0 -60,-0.3 0, 0.0 2,-0.3 -0.326 6.0-175.6 -76.6 164.0 23.5 43.9 31.8 430 505 A I - 0 0 0 96,-1.0 2,-0.4 -62,-0.1 -60,-0.2 -0.898 15.7-135.6-153.1 162.2 26.1 45.2 29.4 431 506 A A E -d 370 0C 0 -62,-2.0 -60,-1.6 -2,-0.3 2,-0.3 -0.888 14.1-174.9-143.4 107.1 27.1 44.5 25.8 432 507 A L E +de 371 528C 1 95,-1.9 97,-1.9 -2,-0.4 2,-0.2 -0.723 16.2 163.4 -95.7 144.1 30.4 43.9 24.3 433 508 A G E -d 372 0C 2 -62,-1.6 -60,-2.3 -2,-0.3 2,-0.3 -0.745 24.8-122.6-140.7-164.4 30.9 43.5 20.6 434 509 A V E -d 373 0C 1 -62,-0.3 2,-0.3 97,-0.3 111,-0.3 -0.904 10.9-160.7-141.2 158.7 33.6 43.6 18.0 435 510 A Q E +d 374 0C 0 -62,-2.0 -60,-2.0 -2,-0.3 109,-0.2 -0.967 67.5 29.8-138.6 160.9 34.4 45.4 14.8 436 511 A G > + 0 0 0 107,-3.3 4,-2.1 -2,-0.3 110,-0.2 0.854 57.1 144.6 62.0 43.4 36.8 44.7 11.9 437 512 A L H > S+ 0 0 0 108,-1.8 4,-2.3 106,-0.3 5,-0.2 0.858 78.1 53.6 -70.1 -38.2 36.8 40.9 12.0 438 513 A A H > S+ 0 0 2 109,-0.5 4,-2.3 107,-0.4 -1,-0.2 0.955 109.3 47.3 -59.3 -48.3 37.1 41.0 8.2 439 514 A D H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.932 110.1 52.9 -60.1 -47.6 40.2 43.3 8.5 440 515 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.908 110.5 46.7 -50.1 -51.2 41.7 41.0 11.1 441 516 A F H <>S+ 0 0 3 -4,-2.3 5,-3.6 2,-0.2 -1,-0.2 0.867 115.0 47.9 -62.1 -41.5 41.3 38.0 8.8 442 517 A M H ><5S+ 0 0 10 -4,-2.3 3,-3.6 3,-0.2 -2,-0.2 0.999 110.7 47.5 -62.5 -69.9 42.7 39.9 5.9 443 518 A L H 3<5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.842 114.8 49.3 -30.3 -53.6 45.8 41.4 7.6 444 519 A L T 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.469 115.5-117.7 -73.7 -4.9 46.5 37.9 9.0 445 520 A R T < 5 + 0 0 95 -3,-3.6 -3,-0.2 1,-0.2 -2,-0.1 0.822 66.8 139.2 70.8 31.4 46.1 36.3 5.5 446 521 A L < - 0 0 31 -5,-3.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.938 50.6-132.3-109.0 124.2 43.2 34.1 6.5 447 522 A P > - 0 0 23 0, 0.0 3,-1.7 0, 0.0 6,-0.5 -0.464 24.8-119.5 -66.3 147.8 40.2 33.6 4.1 448 523 A F T 3 S+ 0 0 16 153,-0.3 154,-0.1 1,-0.3 153,-0.0 0.882 113.2 44.3 -58.0 -43.2 36.9 34.1 5.9 449 524 A D T 3 S+ 0 0 53 152,-0.3 -1,-0.3 4,-0.1 153,-0.1 0.398 92.2 114.4 -82.7 2.4 35.7 30.6 5.1 450 525 A S S <> S- 0 0 17 -3,-1.7 4,-2.1 151,-0.1 5,-0.1 -0.257 76.8-121.4 -73.0 160.7 39.0 29.0 6.0 451 526 A E H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.791 115.0 57.9 -67.9 -29.2 39.6 26.6 8.9 452 527 A E H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 107.8 45.4 -64.3 -47.2 42.2 29.1 10.3 453 528 A A H > S+ 0 0 0 -6,-0.5 4,-2.8 2,-0.2 5,-0.2 0.915 109.3 56.6 -61.4 -47.5 39.6 31.9 10.4 454 529 A R H X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.927 110.1 45.4 -48.0 -49.2 37.1 29.5 12.0 455 530 A L H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.882 111.0 50.8 -67.1 -40.0 39.6 28.9 14.8 456 531 A L H X S+ 0 0 7 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.959 108.9 52.8 -64.9 -49.1 40.5 32.5 15.3 457 532 A N H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.879 109.2 49.3 -47.2 -48.9 36.8 33.5 15.6 458 533 A I H X S+ 0 0 17 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.924 114.5 45.2 -61.5 -40.7 36.2 30.8 18.2 459 534 A Q H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.884 109.3 53.3 -77.2 -33.8 39.2 32.1 20.2 460 535 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.956 113.6 42.8 -61.8 -49.2 38.5 35.8 20.0 461 536 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.873 112.5 53.5 -71.2 -34.8 34.9 35.3 21.3 462 537 A E H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.929 111.1 47.1 -59.2 -44.2 36.1 32.9 24.0 463 538 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.924 112.4 48.4 -69.7 -38.5 38.7 35.4 25.2 464 539 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.951 113.8 45.9 -65.9 -46.9 36.2 38.3 25.2 465 540 A Y H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.928 115.0 48.1 -60.3 -45.8 33.6 36.4 27.1 466 541 A H H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.959 113.6 46.6 -59.6 -50.3 36.2 35.1 29.6 467 542 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.937 112.7 50.0 -57.4 -47.9 37.7 38.6 30.1 468 543 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.891 113.8 43.9 -63.2 -41.1 34.2 40.2 30.6 469 544 A M H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.852 112.5 54.1 -71.0 -33.5 33.1 37.6 33.2 470 545 A E H X S+ 0 0 60 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.6 42.7 -62.8 -43.0 36.5 37.8 34.9 471 546 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.910 114.0 50.9 -70.4 -40.6 36.2 41.6 35.3 472 547 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 51,-0.9 0.863 108.9 51.2 -69.1 -33.8 32.5 41.3 36.3 473 548 A C H X S+ 0 0 3 -4,-2.5 4,-2.0 49,-0.2 -1,-0.2 0.932 107.9 54.3 -66.5 -42.3 33.5 38.7 38.9 474 549 A E H X S+ 0 0 55 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.933 108.8 47.7 -51.5 -48.4 36.1 41.2 40.2 475 550 A L H X S+ 0 0 21 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.859 107.4 54.7 -68.5 -36.1 33.5 43.9 40.5 476 551 A A H X S+ 0 0 4 -4,-1.9 4,-2.2 45,-0.2 -1,-0.2 0.861 103.7 57.1 -61.5 -35.9 31.1 41.6 42.4 477 552 A Q H < S+ 0 0 104 -4,-2.0 -2,-0.2 44,-0.2 -1,-0.2 0.934 118.6 31.9 -59.9 -45.6 33.9 41.0 44.8 478 553 A K H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.892 137.5 20.5 -70.5 -48.8 34.2 44.8 45.5 479 554 A D H < S- 0 0 102 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.466 107.9-104.3-111.8 -1.2 30.6 45.8 45.1 480 555 A G < - 0 0 27 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.1 0.070 46.3 -68.8 89.1 152.5 28.4 42.7 45.5 481 556 A P - 0 0 53 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.287 67.8 -78.8 -64.3 165.0 26.7 40.7 42.8 482 557 A Y > - 0 0 4 40,-1.6 3,-2.2 -55,-0.1 4,-0.2 -0.314 51.3-102.8 -63.3 151.3 23.7 42.2 40.9 483 558 A E T 3 S+ 0 0 143 -57,-0.5 3,-0.3 -58,-0.4 -56,-0.1 0.707 119.3 45.2 -50.0 -28.6 20.5 42.1 42.9 484 559 A T T 3 S+ 0 0 16 -58,-0.9 -1,-0.3 1,-0.2 4,-0.1 0.162 78.2 110.2-111.3 14.0 19.0 39.2 40.9 485 560 A F X + 0 0 16 -3,-2.2 3,-2.0 2,-0.1 6,-0.5 0.857 54.3 89.2 -56.7 -44.8 22.1 36.9 40.8 486 561 A Q T 3 S+ 0 0 167 -3,-0.3 4,-0.0 1,-0.3 6,-0.0 -0.397 94.6 20.0 -66.8 129.7 20.8 34.3 43.2 487 562 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.242 95.5 129.8 94.1 -10.7 19.0 31.5 41.4 488 563 A S S <> S- 0 0 0 -3,-2.0 4,-0.9 -4,-0.1 -1,-0.3 -0.333 72.8-115.1 -75.1 156.9 20.6 32.4 38.1 489 564 A P T >4>S+ 0 0 10 0, 0.0 5,-2.8 0, 0.0 3,-1.4 0.933 119.1 54.4 -52.9 -45.2 22.3 29.8 35.8 490 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.9 3,-0.2 31,-0.1 0.889 101.0 57.5 -57.8 -43.2 25.6 31.6 36.5 491 566 A S G 345S+ 0 0 19 -6,-0.5 -1,-0.3 1,-0.3 -5,-0.1 0.737 107.9 49.5 -55.6 -23.5 25.1 31.3 40.2 492 567 A Q G <<5S- 0 0 127 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.378 126.5-102.6 -94.8 -0.3 24.9 27.5 39.6 493 568 A G T < 5S+ 0 0 7 -3,-1.9 2,-0.8 1,-0.3 -3,-0.2 0.645 79.1 137.7 84.5 17.2 28.0 27.5 37.6 494 569 A I < - 0 0 69 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.872 30.4-178.0 -99.1 110.0 26.1 27.3 34.3 495 570 A L >> - 0 0 3 -2,-0.8 4,-1.3 -3,-0.1 3,-0.9 -0.529 45.2 -85.0-101.2 171.7 27.8 29.7 31.8 496 571 A Q H >> S+ 0 0 3 1,-0.2 3,-2.1 2,-0.2 4,-0.8 0.900 126.5 47.7 -43.8 -59.3 26.7 30.4 28.3 497 572 A F H 34>S+ 0 0 0 126,-0.4 5,-2.4 1,-0.3 3,-0.4 0.779 105.0 60.8 -60.9 -28.0 28.6 27.4 26.6 498 573 A D H X45S+ 0 0 46 -3,-0.9 3,-1.2 3,-0.2 -1,-0.3 0.822 99.8 57.0 -58.7 -36.1 27.2 25.0 29.2 499 574 A M H <<5S+ 0 0 24 -3,-2.1 -1,-0.2 -4,-1.3 -2,-0.2 0.728 104.8 49.3 -73.7 -21.9 23.7 26.0 28.0 500 575 A W T 3<5S- 0 0 29 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.370 117.7-120.1 -86.6 4.4 24.7 24.9 24.5 501 576 A D T < 5 + 0 0 149 -3,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.933 69.4 132.9 50.3 51.7 25.9 21.7 26.2 502 577 A Q < - 0 0 92 -5,-2.4 -1,-0.2 121,-0.1 -2,-0.1 -0.902 60.0-121.4-126.5 155.1 29.5 22.3 24.9 503 578 A K - 0 0 187 -2,-0.3 2,-0.1 -3,-0.1 0, 0.0 -0.745 39.9-112.4 -80.9 142.4 33.0 22.2 26.3 504 579 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 120,-0.0 -0.337 25.4-110.5 -69.2 159.1 34.8 25.6 25.9 505 580 A Y - 0 0 118 -47,-0.1 -46,-0.1 1,-0.1 -2,-0.0 0.920 47.0-136.2 -59.2 -43.6 37.8 25.7 23.5 506 581 A G + 0 0 47 -47,-0.0 -1,-0.1 2,-0.0 -47,-0.0 0.579 65.2 130.5 100.8 13.1 40.0 26.1 26.6 507 582 A M S S+ 0 0 61 2,-0.1 2,-0.3 3,-0.0 -48,-0.0 0.698 79.7 48.4 -59.4 -20.5 42.4 28.9 25.7 508 583 A W S S- 0 0 54 0, 0.0 2,-1.6 0, 0.0 3,-0.1 -0.880 96.4-107.6-124.3 156.9 41.3 30.2 29.1 509 584 A D > + 0 0 89 -2,-0.3 4,-1.3 1,-0.2 3,-0.2 -0.624 41.9 168.9 -81.6 87.2 40.9 28.6 32.5 510 585 A W H > + 0 0 6 -2,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.742 68.2 63.4 -71.9 -24.8 37.1 28.5 32.8 511 586 A D H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.878 104.3 44.5 -68.9 -38.4 37.1 26.3 35.9 512 587 A T H > S+ 0 0 57 -3,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.938 115.5 49.9 -70.3 -46.0 38.8 28.8 38.2 513 588 A L H X S+ 0 0 7 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.951 112.6 46.5 -52.2 -55.2 36.5 31.5 36.7 514 589 A R H X S+ 0 0 41 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.908 111.2 51.6 -54.7 -48.8 33.5 29.3 37.4 515 590 A K H X S+ 0 0 135 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.954 113.7 46.6 -49.1 -51.7 34.7 28.5 40.9 516 591 A D H X S+ 0 0 45 -4,-3.1 4,-3.2 1,-0.2 5,-0.5 0.875 110.5 49.4 -61.4 -44.2 35.1 32.3 41.5 517 592 A I H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.900 109.6 53.5 -64.5 -40.6 31.7 33.3 40.0 518 593 A M H < S+ 0 0 98 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.839 118.1 35.9 -63.0 -30.7 30.0 30.7 42.2 519 594 A K H < S+ 0 0 113 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.892 133.3 21.4 -91.0 -40.6 31.6 32.1 45.3 520 595 A H H < S- 0 0 72 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.646 95.9-135.4-105.9 -19.9 31.7 35.8 44.7 521 596 A G < - 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0 0 17 -3,-1.4 -109,-0.5 1,-0.1 -110,-0.1 -0.678 68.8-111.1 -96.6 154.4 30.7 40.2 8.7 548 623 A P - 0 0 5 0, 0.0 57,-0.1 0, 0.0 58,-0.1 -0.313 53.4 -80.7 -64.8 166.2 32.9 39.7 5.7 549 624 A V - 0 0 11 55,-0.3 57,-2.2 1,-0.1 58,-0.2 -0.362 29.7-147.7 -65.5 150.5 33.3 42.7 3.4 550 625 A T S S+ 0 0 37 1,-0.4 2,-0.3 55,-0.2 57,-0.2 0.644 82.2 3.1 -89.3 -18.5 30.4 43.4 1.0 551 626 A S - 0 0 15 53,-0.1 -1,-0.4 54,-0.1 3,-0.3 -0.906 54.2-141.7-172.1 132.0 32.8 44.8 -1.6 552 627 A N S S+ 0 0 0 35,-1.8 9,-3.7 -2,-0.3 2,-0.2 0.438 100.2 46.4 -75.6 -0.2 36.5 45.4 -2.0 553 628 A M E S-Q 560 0J 11 7,-0.3 2,-0.3 33,-0.2 -1,-0.2 -0.584 72.8-160.9-151.9 79.1 35.7 48.7 -3.6 554 629 A Y E Q 559 0J 99 5,-1.3 5,-2.3 -3,-0.3 29,-0.1 -0.485 360.0 360.0 -70.2 124.5 33.2 51.1 -2.1 555 630 A S 0 0 113 -2,-0.3 3,-0.3 3,-0.2 -1,-0.2 0.022 360.0 360.0 61.3 360.0 31.9 53.8 -4.6 556 ! 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 0.0 557 638 A F 0 0 184 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 34.9 59.1 -3.7 558 639 A Q - 0 0 88 -3,-0.3 2,-0.4 2,-0.0 -3,-0.2 -0.729 360.0-176.3 -87.7 123.5 36.2 55.7 -4.8 559 640 A V E -Q 554 0J 80 -5,-2.3 -5,-1.3 -2,-0.4 2,-0.4 -0.935 9.6-158.0-130.7 115.4 38.0 53.5 -2.1 560 641 A V E -Q 553 0J 16 -2,-0.4 -7,-0.3 -7,-0.2 5,-0.1 -0.733 42.7 -87.2 -91.5 129.3 39.6 50.2 -2.8 561 642 A N > - 0 0 15 -9,-3.7 4,-2.8 -2,-0.4 3,-0.5 -0.049 38.3-141.9 -27.3 110.7 40.3 47.7 0.1 562 643 A P H > S+ 0 0 81 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.729 98.6 51.9 -62.4 -23.9 43.7 48.8 1.4 563 644 A Y H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.1 -2,-0.1 0.840 111.9 45.5 -81.2 -35.1 44.8 45.2 2.0 564 645 A L H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 5,-0.1 0.913 111.4 52.5 -71.8 -44.8 43.9 44.2 -1.5 565 646 A L H X S+ 0 0 55 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.935 106.7 53.1 -54.7 -52.0 45.6 47.3 -3.1 566 647 A R H X S+ 0 0 145 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.930 111.0 48.3 -43.7 -53.7 48.8 46.6 -1.2 567 648 A D H < S+ 0 0 11 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.828 108.7 51.6 -61.3 -39.3 48.8 43.1 -2.6 568 649 A L H ><>S+ 0 0 2 -4,-2.0 5,-1.9 2,-0.2 6,-1.2 0.922 112.0 44.9 -69.4 -47.0 48.1 44.1 -6.2 569 650 A V H ><5S+ 0 0 76 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.894 109.7 58.3 -59.2 -41.3 51.0 46.6 -6.3 570 651 A D T 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.567 108.4 46.6 -66.2 -8.3 53.2 44.0 -4.6 571 652 A L T < 5S- 0 0 86 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.370 110.2-113.6-118.0 2.2 52.6 41.6 -7.5 572 653 A G T < 5S+ 0 0 75 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.843 93.0 97.6 68.2 36.5 53.1 43.8 -10.6 573 654 A I < + 0 0 18 -5,-1.9 2,-0.9 -6,-0.1 -4,-0.2 0.595 40.7 107.9-128.5 -23.6 49.4 43.6 -11.6 574 655 A W + 0 0 80 -6,-1.2 2,-0.2 -9,-0.1 -2,-0.1 -0.490 48.2 130.3 -64.2 101.4 47.7 46.7 -10.2 575 656 A D S >> S- 0 0 99 -2,-0.9 4,-1.4 -3,-0.0 3,-1.0 -0.681 74.7 -80.2-134.9-166.1 47.0 48.8 -13.3 576 657 A E H 3> S+ 0 0 134 1,-0.2 4,-1.5 -2,-0.2 5,-0.1 0.795 123.2 62.3 -70.1 -27.9 44.1 50.8 -15.0 577 658 A G H 3> S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.502 107.9 43.0 -76.5 -6.7 42.7 47.5 -16.4 578 659 A M H <4 S+ 0 0 15 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.666 107.5 55.4-108.2 -31.7 42.1 46.1 -12.9 579 660 A K H >X S+ 0 0 54 -4,-1.4 4,-1.2 1,-0.2 3,-0.6 0.837 109.6 52.7 -64.5 -35.6 40.7 49.3 -11.3 580 661 A Q H >X S+ 0 0 120 -4,-1.5 2,-2.6 1,-0.3 4,-1.5 0.969 99.8 59.3 -61.0 -56.7 38.2 49.0 -14.2 581 662 A Y H 3< S+ 0 0 71 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.007 108.3 51.3 -64.0 37.3 37.4 45.4 -13.3 582 663 A L H <4>S+ 0 0 4 -2,-2.6 5,-1.4 -3,-0.6 -1,-0.2 0.558 102.0 47.1-143.6 -46.6 36.2 46.6 -9.9 583 664 A I H <<5S+ 0 0 87 -4,-1.2 3,-0.4 -3,-0.5 -2,-0.1 0.843 122.8 41.8 -67.1 -33.2 33.8 49.6 -10.2 584 665 A T T <5S+ 0 0 87 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.831 111.0 54.4 -79.5 -36.9 32.0 47.4 -12.8 585 666 A Q T > 5S- 0 0 67 -5,-0.3 3,-0.7 3,-0.2 -1,-0.2 0.198 112.4-114.4 -88.8 17.1 32.3 44.1 -10.9 586 667 A N T 3 5S- 0 0 135 -3,-0.4 -33,-0.2 1,-0.2 -3,-0.2 0.651 78.4 -49.7 53.9 21.5 30.7 45.6 -7.8 587 668 A G T 3 + 0 0 2 14,-0.3 3,-0.7 -2,-0.3 -1,-0.1 0.343 44.4 125.8-122.6 0.1 38.1 39.8 -8.0 590 671 A Q T 3 S+ 0 0 52 1,-0.2 2,-0.7 13,-0.1 -2,-0.1 -0.226 79.7 8.6 -63.0 150.1 36.9 36.2 -8.7 591 672 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.150 89.6 147.8 66.9 -24.6 37.6 34.7 -12.1 592 673 A L X - 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