==== 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 3S8C . 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 . 666 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 68.8 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 . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 3 1 3 1 3 1 3 1 3 2 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 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 . 5 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 74 A Y > 0 0 119 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-135.1 47.4 57.6 -2.2 2 75 A A T > + 0 0 75 1,-0.3 3,-1.2 2,-0.1 4,-0.3 -0.003 360.0 112.2 -77.3 31.1 44.9 60.4 -1.1 3 76 A T T 3> + 0 0 100 -2,-0.5 4,-1.1 1,-0.2 3,-0.4 0.504 68.8 78.7 -61.5 -10.1 45.4 59.6 2.7 4 77 A L H <> S+ 0 0 59 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.703 78.1 62.0 -75.1 -24.4 46.9 63.1 2.0 5 78 A A H <> S+ 0 0 33 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.737 98.0 61.1 -72.0 -22.1 43.5 64.7 2.1 6 79 A A H > S+ 0 0 4 -3,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.995 104.4 43.8 -63.8 -64.8 43.2 63.4 5.7 7 80 A R H X S+ 0 0 151 -4,-1.1 4,-2.4 2,-0.2 5,-0.4 0.905 113.0 54.6 -45.7 -49.6 46.2 65.5 7.0 8 81 A I H X S+ 0 0 103 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.958 113.6 38.5 -51.5 -64.7 45.0 68.6 5.1 9 82 A A H X S+ 0 0 21 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.766 114.3 57.5 -63.1 -29.0 41.5 68.6 6.5 10 83 A I H >X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 3,-1.0 0.998 112.6 36.9 -59.5 -67.2 42.8 67.6 10.0 11 84 A S H 3X S+ 0 0 52 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.659 110.4 62.4 -65.9 -17.4 45.3 70.6 10.4 12 85 A N H 3X S+ 0 0 62 -4,-2.0 4,-1.7 -5,-0.4 -1,-0.3 0.895 105.4 48.9 -59.4 -41.1 42.7 72.8 8.7 13 86 A L H << S+ 0 0 16 -4,-1.2 -2,-0.3 -3,-1.0 4,-0.2 0.895 104.8 56.5 -67.7 -43.6 40.7 71.8 11.7 14 87 A H H >< S+ 0 0 32 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.879 106.3 51.9 -50.3 -42.8 43.5 72.7 14.0 15 88 A K H 3< S+ 0 0 159 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 109.8 47.1 -64.2 -45.0 43.5 76.2 12.5 16 89 A Q T 3< S+ 0 0 152 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 0.311 109.5 72.2 -80.1 13.2 39.8 76.8 13.1 17 90 A T S < S- 0 0 15 -3,-1.0 2,-0.3 -4,-0.2 74,-0.1 -0.984 83.0-114.6-139.0 140.6 40.0 75.5 16.7 18 91 A T - 0 0 70 -2,-0.4 75,-0.2 73,-0.2 6,-0.1 -0.522 26.6-148.4 -63.3 123.0 41.4 76.5 20.1 19 92 A K S S+ 0 0 136 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.952 72.5 85.1 -61.3 -50.6 44.2 74.1 21.0 20 93 A Q >> - 0 0 104 1,-0.1 4,-1.6 2,-0.1 3,-0.8 -0.341 67.5-151.3 -72.1 122.1 43.7 74.1 24.7 21 94 A F H 3> S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.3 3,-0.4 0.903 92.5 54.5 -56.1 -53.4 41.1 71.7 25.9 22 95 A S H 3> S+ 0 0 5 1,-0.3 4,-1.7 33,-0.2 -1,-0.3 0.785 106.7 53.7 -57.0 -29.2 39.9 73.5 29.0 23 96 A K H <> S+ 0 0 25 -3,-0.8 4,-3.4 2,-0.2 -1,-0.3 0.899 107.1 51.4 -67.3 -42.1 39.3 76.6 26.9 24 97 A V H X S+ 0 0 3 -4,-1.6 4,-3.1 -3,-0.4 5,-0.3 0.916 108.7 50.5 -59.1 -43.4 37.1 74.5 24.6 25 98 A V H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.879 110.5 50.7 -63.5 -38.7 35.1 73.2 27.6 26 99 A E H X S+ 0 0 65 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.986 112.6 46.4 -55.0 -60.2 34.7 76.8 28.7 27 100 A D H X S+ 0 0 73 -4,-3.4 4,-0.7 1,-0.2 -2,-0.2 0.914 116.2 43.2 -47.0 -57.6 33.4 77.7 25.2 28 101 A L H >< S+ 0 0 1 -4,-3.1 14,-1.6 1,-0.2 3,-0.6 0.871 116.3 48.2 -59.3 -40.6 31.0 74.8 24.9 29 102 A Y H 3< S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.881 112.4 47.9 -68.9 -36.3 29.8 75.3 28.5 30 103 A R H 3< S+ 0 0 144 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.527 82.7 138.3 -85.1 -5.0 29.2 79.0 28.1 31 104 A Y << - 0 0 36 -4,-0.7 9,-1.3 -3,-0.6 2,-0.4 -0.047 31.1-170.9 -54.8 136.3 27.4 78.7 24.8 32 105 A V E -A 39 0A 73 7,-0.2 2,-1.1 8,-0.0 3,-0.1 -0.963 29.5-117.3-128.1 140.7 24.3 80.9 24.3 33 106 A N E >>> -A 38 0A 53 5,-3.0 4,-3.2 -2,-0.4 3,-2.2 -0.709 23.0-159.1 -85.4 102.5 22.0 80.5 21.4 34 107 A A T 345S+ 0 0 84 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.845 86.9 55.9 -49.4 -44.7 22.3 83.8 19.5 35 108 A A T 345S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.653 124.9 21.0 -62.1 -16.4 18.9 83.4 17.7 36 109 A T T <45S- 0 0 72 -3,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.602 92.7-124.0-134.7 -24.1 17.0 83.0 20.9 37 110 A G T <5 + 0 0 56 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.491 62.5 140.6 88.4 4.4 19.0 84.4 23.8 38 111 A K E < -A 33 0A 135 -5,-0.6 -5,-3.0 1,-0.1 2,-0.8 -0.629 59.6-120.7 -90.4 133.1 18.9 81.1 25.7 39 112 A P E +A 32 0A 107 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.648 35.9 179.8 -70.9 108.9 21.8 79.7 27.7 40 113 A A - 0 0 36 -9,-1.3 -9,-0.1 -2,-0.8 -8,-0.0 -0.674 6.7-169.2-115.3 71.8 22.4 76.4 25.9 41 114 A P - 0 0 55 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.305 14.8-163.5 -62.4 147.6 25.4 74.7 27.6 42 115 A M S S+ 0 0 56 -14,-1.6 2,-0.3 -17,-0.2 -13,-0.2 0.353 72.6 60.2-112.1 2.2 26.9 71.6 25.9 43 116 A I S S- 0 0 4 -15,-0.2 94,-0.3 94,-0.2 2,-0.1 -0.949 88.3-112.4-121.0 146.0 28.8 70.3 29.0 44 117 A S > - 0 0 21 92,-1.5 4,-2.9 -2,-0.3 5,-0.1 -0.378 22.7-116.3 -70.5 155.5 27.2 69.3 32.3 45 118 A D H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.967 118.3 54.3 -48.2 -57.1 27.8 71.2 35.5 46 119 A D H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.837 111.5 40.0 -47.6 -50.8 29.4 68.1 36.8 47 120 A V H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.853 113.3 56.8 -75.0 -34.6 32.0 67.7 33.9 48 121 A Y H X S+ 0 0 28 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.984 108.1 45.3 -53.1 -62.1 32.6 71.4 33.8 49 122 A N H X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 112.1 54.3 -50.1 -41.9 33.6 71.6 37.5 50 123 A I H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.975 109.5 44.9 -58.7 -53.3 35.8 68.5 37.0 51 124 A V H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 0.893 113.3 51.1 -59.8 -42.8 37.7 70.0 34.1 52 125 A M H >< S+ 0 0 38 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.874 108.1 51.8 -63.0 -38.7 38.2 73.3 35.9 53 126 A E T 3< S+ 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.345 124.1 28.5 -78.2 8.4 39.5 71.6 39.0 54 127 A N T <> S+ 0 0 48 -3,-1.5 4,-2.3 -4,-0.1 -1,-0.2 0.171 75.2 135.4-153.9 19.9 42.1 69.6 36.9 55 128 A K H <> S+ 0 0 79 -3,-0.7 4,-2.4 -4,-0.2 -33,-0.2 0.741 73.5 44.5 -57.2 -34.7 42.9 71.7 33.9 56 129 A D H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.961 113.9 48.7 -78.0 -47.9 46.7 71.4 33.8 57 130 A K H 4 S+ 0 0 93 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.915 119.7 41.9 -46.3 -48.6 46.8 67.7 34.4 58 131 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 -7,-0.2 3,-0.5 0.899 112.7 47.6 -69.5 -52.1 44.1 67.3 31.6 59 132 A N H < S+ 0 0 27 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.845 114.8 48.0 -59.8 -37.7 45.3 69.7 28.9 60 133 A S T < S+ 0 0 98 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.593 102.2 63.8 -82.2 -18.2 48.9 68.3 29.1 61 134 A A T 4 S+ 0 0 20 -3,-0.5 2,-0.5 -4,-0.5 -1,-0.2 0.766 83.0 98.0 -74.6 -24.2 47.6 64.8 29.0 62 135 A I < - 0 0 13 -4,-0.8 2,-0.8 -3,-0.3 -41,-0.0 -0.490 58.3-161.5 -77.5 116.4 46.3 65.4 25.5 63 136 A V > - 0 0 50 -2,-0.5 3,-1.5 1,-0.1 4,-0.2 -0.808 3.3-169.9 -94.2 101.7 48.5 64.2 22.6 64 137 A Y G > S+ 0 0 35 -2,-0.8 3,-2.0 1,-0.3 4,-0.2 0.716 79.6 74.5 -68.2 -20.5 47.3 66.0 19.3 65 138 A D G > S+ 0 0 116 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.852 83.5 70.2 -48.4 -37.1 49.5 63.8 17.1 66 139 A R G X S+ 0 0 46 -3,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.644 78.5 77.8 -68.3 -10.7 46.9 61.2 17.8 67 140 A D G X S+ 0 0 1 -3,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.725 83.9 64.5 -60.8 -22.4 44.5 63.2 15.6 68 141 A F G < S+ 0 0 63 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.203 74.4 89.1 -94.8 21.0 46.3 61.8 12.5 69 142 A Q G < S+ 0 0 76 -3,-1.1 2,-0.4 52,-0.1 -1,-0.2 0.476 72.5 95.1 -82.9 -5.2 45.2 58.2 13.3 70 143 A Y < - 0 0 14 -3,-0.8 472,-0.1 -4,-0.1 -60,-0.1 -0.758 69.7-137.5 -98.1 131.4 42.0 58.9 11.2 71 144 A S > - 0 0 46 -2,-0.4 4,-2.6 470,-0.2 5,-0.2 -0.269 39.6 -97.7 -65.3 170.0 41.4 58.1 7.6 72 145 A Y H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.871 125.8 44.0 -58.2 -44.1 39.7 60.8 5.5 73 146 A F H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.790 111.3 55.2 -76.8 -29.2 36.3 59.1 5.8 74 147 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.972 112.0 43.6 -61.2 -53.0 36.8 58.5 9.5 75 148 A F H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.876 110.3 53.5 -61.8 -40.8 37.5 62.1 10.0 76 149 A K H X S+ 0 0 82 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.795 108.4 52.4 -67.5 -28.1 34.6 63.4 7.8 77 150 A T H X>S+ 0 0 19 -4,-1.3 4,-2.1 -3,-0.4 5,-0.7 0.916 111.1 46.6 -67.3 -48.1 32.2 61.2 9.9 78 151 A L H X>S+ 0 0 2 -4,-2.1 5,-2.7 1,-0.2 4,-1.6 0.930 116.0 45.1 -58.1 -49.5 33.6 62.8 13.1 79 152 A E H <5S+ 0 0 50 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.957 113.4 48.5 -60.4 -52.3 33.3 66.2 11.7 80 153 A R H <5S- 0 0 171 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 134.3 -0.1 -71.4 -32.8 29.8 65.8 10.2 81 154 A S H <5S+ 0 0 66 -4,-2.1 -3,-0.2 -5,-0.1 -1,-0.2 0.603 126.5 45.9-129.8 -12.4 28.0 64.3 13.1 82 155 A Y T < S-B 89 0B 46 3,-2.6 3,-1.4 -2,-0.4 -58,-0.0 -0.942 82.2 -31.0-101.5 108.5 29.5 76.1 18.2 87 160 A N T 3 S- 0 0 108 -2,-0.6 2,-0.8 1,-0.3 -1,-0.2 0.922 125.2 -42.5 50.2 60.3 27.0 78.0 16.0 88 161 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 -0.162 121.8 97.9 84.3 -42.5 27.5 76.0 12.8 89 162 A Q E < S-B 86 0B 66 -3,-1.4 -3,-2.6 -2,-0.8 2,-0.3 -0.567 83.4-108.0 -82.3 144.6 31.3 75.8 13.1 90 163 A V E +B 85 0B 19 -5,-0.3 -5,-0.3 -2,-0.2 -6,-0.1 -0.533 36.7 175.2 -69.9 128.9 33.1 72.8 14.6 91 164 A A + 0 0 16 -7,-2.6 2,-0.4 -2,-0.3 -73,-0.2 0.666 53.9 74.5-106.7 -25.9 34.5 73.5 18.1 92 165 A E - 0 0 3 -8,-1.4 -9,-0.1 -13,-0.1 -10,-0.0 -0.775 63.3-150.3 -95.3 134.8 35.8 70.1 19.2 93 166 A R >> - 0 0 8 -2,-0.4 4,-2.0 -75,-0.2 3,-0.7 -0.673 37.7-104.1 -84.5 157.4 38.9 68.4 18.0 94 167 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.886 123.4 54.1 -49.7 -42.8 38.9 64.6 18.0 95 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 106.8 51.6 -61.7 -36.3 41.1 64.6 21.1 96 169 A H H <> S+ 0 0 1 -3,-0.7 4,-3.6 2,-0.2 5,-0.2 0.920 107.4 52.0 -66.1 -42.5 38.6 66.8 22.9 97 170 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 113.1 45.4 -57.5 -46.2 35.7 64.6 22.1 98 171 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.921 112.6 49.6 -64.5 -44.2 37.6 61.6 23.4 99 172 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 111.5 49.5 -65.5 -44.0 38.7 63.5 26.5 100 173 A R H X S+ 0 0 4 -4,-3.6 4,-3.0 1,-0.2 -1,-0.2 0.916 110.4 50.4 -55.4 -42.4 35.1 64.6 27.1 101 174 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.928 107.6 54.4 -66.2 -41.2 33.9 61.0 26.7 102 175 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.868 113.3 42.2 -55.6 -44.0 36.6 59.8 29.2 103 176 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.921 106.8 59.2 -69.7 -47.3 35.4 62.3 31.8 104 177 A G H < S+ 0 0 2 -4,-3.0 32,-0.2 1,-0.2 -1,-0.2 0.825 115.9 38.0 -53.7 -32.4 31.6 61.8 31.2 105 178 A I H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.904 123.9 36.9 -81.9 -46.7 32.2 58.1 32.1 106 179 A H H >< S- 0 0 8 -4,-2.2 3,-1.6 1,-0.2 2,-0.2 0.726 74.4-175.5 -91.6 -19.0 34.8 58.4 34.9 107 180 A G T 3< S- 0 0 2 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.463 75.8 -4.7 62.7-123.8 33.8 61.5 36.9 108 181 A R T 3 S+ 0 0 138 -2,-0.2 2,-2.2 1,-0.1 -1,-0.2 0.505 106.2 98.2 -83.5 -9.1 36.4 62.2 39.6 109 182 A D <> + 0 0 84 -3,-1.6 4,-3.0 1,-0.2 3,-0.5 -0.519 48.1 172.2 -76.3 74.3 38.6 59.0 38.9 110 183 A I H > S+ 0 0 10 -2,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.773 73.6 59.3 -60.0 -25.5 41.0 61.0 36.8 111 184 A E H > S+ 0 0 126 2,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.926 108.3 43.4 -69.5 -44.5 43.3 58.0 36.7 112 185 A A H > S+ 0 0 11 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.960 113.0 54.3 -62.1 -50.4 40.5 56.0 35.1 113 186 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.870 109.3 47.1 -46.1 -45.4 39.8 59.0 32.8 114 187 A L H X S+ 0 0 35 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.873 110.9 51.4 -75.2 -31.8 43.4 59.1 31.7 115 188 A E H X S+ 0 0 83 -4,-1.8 4,-2.3 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44.8 14.8 379 452 A A G < S+ 0 0 28 -3,-1.5 -2,-0.2 1,-0.3 -255,-0.1 0.590 89.7 60.3 -60.2 -8.1 45.3 46.9 17.5 380 453 A F G < S+ 0 0 3 -3,-1.4 13,-3.9 -4,-0.3 2,-0.4 0.318 78.4 109.4-107.2 7.1 46.5 43.7 19.3 381 454 A I E < +P 392 0I 33 -3,-1.9 2,-0.3 11,-0.2 11,-0.2 -0.710 41.6 165.7 -74.0 128.3 48.6 42.4 16.4 382 455 A E E -P 391 0I 76 9,-1.6 9,-3.2 -2,-0.4 -2,-0.0 -0.970 45.8-132.8-136.1 164.0 52.4 42.6 17.0 383 456 A T + 0 0 78 -2,-0.3 3,-0.5 7,-0.3 4,-0.2 0.790 57.7 145.7 -75.7 -29.3 55.4 41.0 15.3 384 457 A S + 0 0 76 1,-0.2 -2,-0.1 2,-0.1 8,-0.1 0.256 37.6 82.3 -16.0 76.8 56.6 40.1 18.8 385 458 A E S S- 0 0 87 2,-0.1 -1,-0.2 6,-0.1 5,-0.1 0.164 107.5 -97.5-131.9 -50.1 58.4 36.8 18.4 386 459 A D S S+ 0 0 155 -3,-0.5 -2,-0.1 3,-0.3 -3,-0.1 -0.226 95.0 36.9 159.7 -53.4 61.7 38.3 17.2 387 460 A G S S- 0 0 48 -4,-0.2 -2,-0.1 2,-0.0 -1,-0.0 0.680 107.0 -43.4 -98.3-117.6 61.6 38.0 13.4 388 461 A K S S+ 0 0 93 -4,-0.1 -4,-0.0 2,-0.1 0, 0.0 0.840 93.6 88.6 -97.7 -41.2 59.1 38.4 10.6 389 462 A T - 0 0 95 1,-0.1 2,-0.4 -6,-0.0 -3,-0.3 -0.298 67.5-134.9 -67.6 144.8 55.8 36.6 11.5 390 463 A S - 0 0 40 55,-0.1 -7,-0.3 -5,-0.1 2,-0.2 -0.808 19.8-166.6 -96.2 140.0 53.2 38.5 13.4 391 464 A T E -P 382 0I 60 -9,-3.2 -9,-1.6 -2,-0.4 2,-0.5 -0.560 24.3-107.7-108.3-175.5 51.4 37.0 16.4 392 465 A Y E -P 381 0I 18 -11,-0.2 2,-1.5 -2,-0.2 -11,-0.2 -0.969 21.7-136.1-116.6 124.5 48.2 38.2 18.3 393 466 A N > + 0 0 35 -13,-3.9 4,-1.5 -2,-0.5 3,-0.1 -0.563 30.2 168.3 -85.5 88.3 48.6 39.7 21.8 394 467 A F H > S+ 0 0 37 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.724 72.4 62.6 -71.5 -24.2 45.8 38.0 23.8 395 468 A K H > S+ 0 0 167 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.955 106.9 44.1 -66.1 -48.0 47.1 39.3 27.1 396 469 A K H > S+ 0 0 59 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.843 110.9 55.3 -64.2 -35.3 46.6 42.9 26.0 397 470 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.865 110.3 44.9 -67.0 -33.8 43.2 42.0 24.6 398 471 A H H X S+ 0 0 15 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.921 114.1 50.5 -70.6 -45.2 42.2 40.5 28.0 399 472 A E H >X S+ 0 0 87 -4,-2.8 4,-0.9 1,-0.2 3,-0.9 0.967 114.4 43.6 -55.6 -55.2 43.6 43.6 29.7 400 473 A I H >X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.3 3,-0.5 0.861 108.5 56.4 -64.0 -42.0 41.7 46.0 27.4 401 474 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.762 104.6 55.4 -59.5 -25.3 38.4 44.1 27.5 402 475 A K H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 3,-0.7 0.954 110.8 47.7 -56.9 -51.5 33.7 51.8 31.5 408 481 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.3 -1,-0.2 0.856 108.4 56.1 -66.4 -31.1 30.4 50.4 30.5 409 482 A N H 3X S+ 0 0 6 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.3 0.841 107.6 46.4 -72.0 -29.3 29.7 49.6 34.0 410 483 A R H XX S+ 0 0 74 -4,-1.5 4,-1.9 -3,-0.7 3,-1.4 0.908 102.7 64.7 -73.2 -41.1 30.1 53.2 35.1 411 484 A V H 3X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.3 -2,-0.2 0.831 94.4 62.7 -52.0 -35.9 28.0 54.5 32.2 412 485 A I H 3< S+ 0 0 0 -4,-1.2 3,-0.5 1,-0.2 -1,-0.3 0.902 108.6 39.6 -55.4 -42.4 25.1 52.6 33.8 413 486 A D H << S+ 0 0 79 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.806 119.2 44.4 -81.6 -28.5 25.3 54.8 36.9 414 487 A R H < S+ 0 0 64 -4,-1.9 2,-0.2 -309,-0.1 -1,-0.2 0.274 90.8 119.3 -99.3 14.7 26.0 58.1 35.1 415 488 A N < - 0 0 14 -4,-0.5 2,-0.6 -3,-0.5 -274,-0.2 -0.530 61.9-132.2 -81.9 140.6 23.3 57.5 32.4 416 489 A Y - 0 0 110 -276,-2.6 -273,-0.3 -2,-0.2 -274,-0.1 -0.836 22.0-149.2 -87.8 125.4 20.4 59.7 31.7 417 490 A Y - 0 0 31 -2,-0.6 6,-0.1 1,-0.1 -276,-0.1 -0.863 8.3-157.9 -99.9 114.8 17.2 57.5 31.5 418 491 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.754 81.5 26.4 -58.6 -28.8 14.5 58.9 29.1 419 492 A V S >> S- 0 0 11 -52,-0.1 4,-1.3 1,-0.1 3,-1.0 -0.974 76.5-124.8-137.9 147.1 11.8 56.8 30.9 420 493 A E H 3> S+ 0 0 109 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.812 108.2 65.3 -63.8 -29.8 11.4 55.4 34.4 421 494 A E H 3> S+ 0 0 35 1,-0.2 -54,-1.7 2,-0.2 4,-1.5 0.836 102.5 49.0 -59.4 -31.8 10.9 51.8 33.0 422 495 A A H <> S+ 0 0 0 -3,-1.0 4,-2.7 -56,-0.2 5,-0.2 0.888 112.2 46.4 -77.7 -39.5 14.5 51.9 31.7 423 496 A R H X S+ 0 0 98 -4,-1.3 4,-1.7 2,-0.2 5,-0.2 0.932 112.4 50.1 -66.4 -46.1 16.1 53.1 35.0 424 497 A K H X S+ 0 0 69 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.959 117.2 42.5 -52.5 -52.5 14.1 50.6 37.1 425 498 A S H X S+ 0 0 1 -4,-1.5 4,-1.7 -5,-0.2 5,-0.4 0.926 115.2 44.4 -62.5 -58.3 15.3 47.8 34.7 426 499 A N H X S+ 0 0 0 -4,-2.7 4,-1.1 -59,-0.3 -1,-0.2 0.731 109.7 55.7 -66.2 -25.9 18.9 48.7 34.2 427 500 A M H < S+ 0 0 60 -4,-1.7 58,-0.4 -5,-0.2 -1,-0.2 0.880 109.6 47.9 -76.6 -36.0 19.6 49.4 37.8 428 501 A R H < S+ 0 0 71 -4,-1.4 58,-1.1 -3,-0.3 57,-0.4 0.897 129.4 15.4 -66.0 -47.6 18.4 46.0 38.8 429 502 A H H < S- 0 0 2 -4,-1.7 98,-2.2 56,-0.2 99,-0.2 0.630 81.3-154.2-110.8 -17.4 20.2 43.7 36.3 430 503 A R < - 0 0 4 -4,-1.1 98,-0.4 -5,-0.4 97,-0.1 0.882 18.3-170.0 43.5 59.0 22.9 46.0 34.9 431 504 A P - 0 0 1 0, 0.0 -60,-0.3 0, 0.0 2,-0.3 -0.333 3.0-169.1 -71.8 163.7 23.4 44.4 31.5 432 505 A I - 0 0 0 96,-2.0 2,-0.4 -62,-0.1 -60,-0.2 -0.970 10.6-146.4-151.1 151.2 26.4 45.4 29.3 433 506 A A E -d 372 0C 0 -62,-1.9 -60,-1.5 -2,-0.3 2,-0.3 -0.905 12.1-176.1-133.6 112.2 27.3 44.8 25.7 434 507 A L E +de 373 530C 3 95,-1.7 97,-1.3 -2,-0.4 -60,-0.2 -0.801 12.4 168.7-100.8 147.8 30.8 44.4 24.3 435 508 A G E -d 374 0C 1 -62,-2.3 -60,-2.0 -2,-0.3 2,-0.3 -0.606 21.6-127.9-136.6-164.6 31.6 44.0 20.6 436 509 A V E -d 375 0C 2 -62,-0.3 2,-0.3 97,-0.3 111,-0.3 -0.922 11.3-164.9-141.7 161.9 34.4 44.0 18.2 437 510 A Q E +d 376 0C 0 -62,-2.3 -60,-1.7 -2,-0.3 109,-0.2 -0.963 65.6 37.6-141.6 161.9 35.3 45.6 14.9 438 511 A G > + 0 0 0 107,-2.4 4,-2.6 -2,-0.3 110,-0.1 0.733 58.5 142.8 77.7 25.7 37.9 44.9 12.3 439 512 A L H > S+ 0 0 0 108,-1.4 4,-2.1 106,-0.2 5,-0.2 0.907 75.0 52.3 -56.2 -44.3 37.9 41.1 12.4 440 513 A A H > S+ 0 0 3 109,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.930 110.9 46.7 -61.5 -48.1 38.4 41.0 8.6 441 514 A D H > S+ 0 0 9 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.951 108.1 55.7 -52.4 -57.6 41.4 43.3 8.9 442 515 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.917 112.2 43.1 -45.7 -53.6 42.9 41.3 11.7 443 516 A F H <>S+ 0 0 2 -4,-2.1 5,-2.7 2,-0.2 -1,-0.3 0.933 115.4 49.4 -55.6 -50.9 42.7 38.2 9.6 444 517 A M H ><5S+ 0 0 8 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.939 112.0 46.9 -58.3 -50.8 44.0 40.1 6.5 445 518 A L H 3<5S+ 0 0 77 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 112.9 51.6 -56.7 -34.9 47.0 41.6 8.5 446 519 A L T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.148 116.4-115.4 -93.5 18.7 47.7 38.1 9.9 447 520 A R T < 5 + 0 0 104 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.724 68.2 140.1 61.6 28.9 47.7 36.5 6.4 448 521 A L < - 0 0 34 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.894 51.4-134.1-111.6 119.8 44.6 34.4 7.1 449 522 A P > - 0 0 23 0, 0.0 3,-2.0 0, 0.0 6,-0.4 -0.475 27.8-121.5 -56.4 138.9 41.8 33.6 4.7 450 523 A F T 3 S+ 0 0 17 153,-0.4 154,-0.1 1,-0.3 153,-0.0 0.826 111.3 50.3 -50.6 -37.8 38.4 34.0 6.5 451 524 A D T 3 S+ 0 0 51 152,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.099 89.2 114.5 -94.8 24.5 37.5 30.4 5.7 452 525 A S S <> S- 0 0 17 -3,-2.0 4,-2.3 1,-0.1 5,-0.1 -0.559 77.6-118.8 -90.7 159.5 40.7 28.9 6.9 453 526 A E H > S+ 0 0 110 2,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.856 117.4 54.7 -52.8 -38.3 41.3 26.5 9.8 454 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3<5S- 0 0 128 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.124 126.6-100.9 -89.9 18.9 24.6 28.2 39.9 495 568 A G T < 5S+ 0 0 11 -3,-1.0 2,-0.9 1,-0.2 -3,-0.2 0.521 80.2 137.0 73.9 7.8 28.1 28.1 38.2 496 569 A I < - 0 0 68 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.754 30.3-176.2 -95.1 105.6 26.6 27.9 34.7 497 570 A L > - 0 0 4 -2,-0.9 4,-1.5 -3,-0.1 3,-0.4 -0.321 42.6 -87.2 -91.2 178.5 28.3 30.1 32.2 498 571 A Q H >> S+ 0 0 4 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.934 123.6 46.7 -56.0 -57.8 27.4 30.8 28.5 499 572 A F H >4>S+ 0 0 0 126,-0.4 5,-1.5 1,-0.2 3,-1.0 0.792 105.3 62.4 -56.7 -29.0 29.3 27.8 26.8 500 573 A D H >45S+ 0 0 36 -3,-0.4 3,-2.3 1,-0.3 -1,-0.2 0.933 99.6 53.6 -60.4 -43.9 27.9 25.4 29.5 501 574 A M H <<5S+ 0 0 32 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.577 107.7 51.1 -65.6 -11.8 24.4 26.3 28.2 502 575 A W T <<5S- 0 0 28 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.322 117.4-122.0 -99.2 2.1 25.7 25.3 24.8 503 576 A D T < 5 + 0 0 148 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.954 67.5 129.2 55.9 55.6 26.9 22.1 26.4 504 577 A Q 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