==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 2CVY . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 647 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 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 . 40 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 34.8 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 1 0 4 2 4 0 3 1 2 3 1 2 0 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 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 91 A T 0 0 107 0, 0.0 74,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -15.4 41.8 76.8 20.6 2 92 A K + 0 0 127 1,-0.1 2,-0.1 2,-0.0 45,-0.0 0.953 360.0 87.9 34.9 71.0 44.5 74.3 21.6 3 93 A Q > - 0 0 87 1,-0.0 4,-2.0 2,-0.0 3,-0.5 -0.407 63.6-152.3 177.5 113.5 43.6 74.0 25.2 4 94 A F H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.952 97.3 52.6 -55.9 -52.7 41.0 71.5 26.4 5 95 A S H > S+ 0 0 13 1,-0.3 4,-1.5 33,-0.3 -1,-0.2 0.742 109.1 51.0 -57.8 -29.5 39.9 73.5 29.4 6 96 A K H > S+ 0 0 93 -3,-0.5 4,-2.8 2,-0.2 -1,-0.3 0.910 108.6 48.0 -76.0 -42.0 39.3 76.5 27.2 7 97 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 -3,-0.3 -2,-0.2 0.880 111.5 53.3 -67.9 -30.4 37.1 74.6 24.7 8 98 A V H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.898 107.6 51.5 -64.0 -40.8 35.3 73.3 27.8 9 99 A E H X S+ 0 0 44 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.974 112.7 44.5 -56.3 -56.1 34.9 77.0 28.8 10 100 A D H X S+ 0 0 61 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.918 114.6 47.4 -57.1 -49.5 33.5 78.0 25.5 11 101 A L H >< S+ 0 0 2 -4,-2.5 14,-2.7 1,-0.2 3,-0.5 0.887 113.6 48.8 -61.4 -41.3 31.1 75.0 25.2 12 102 A Y H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 12,-0.3 -2,-0.2 0.811 114.8 43.3 -65.5 -34.5 29.9 75.5 28.8 13 103 A R H 3< S+ 0 0 146 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.415 82.8 139.2 -96.9 1.5 29.2 79.3 28.4 14 104 A Y << - 0 0 41 -4,-0.6 9,-2.2 -3,-0.5 2,-0.4 -0.160 34.0-164.9 -52.8 137.1 27.6 78.8 25.0 15 105 A V E -A 22 0A 69 7,-0.3 2,-1.0 8,-0.1 3,-0.1 -0.994 25.5-122.7-126.3 132.1 24.5 81.0 24.5 16 106 A N E >>> -A 21 0A 62 5,-3.0 4,-2.3 -2,-0.4 3,-1.0 -0.671 26.1-164.6 -71.9 102.8 21.9 80.6 21.8 17 107 A A T 345S+ 0 0 88 -2,-1.0 -1,-0.2 1,-0.2 -3,-0.0 0.811 81.8 61.8 -60.4 -35.8 22.2 84.1 20.2 18 108 A A T 345S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.740 123.2 19.1 -64.5 -23.4 18.9 83.8 18.2 19 109 A T T <45S- 0 0 71 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.541 96.1-123.0-124.5 -18.8 16.9 83.4 21.5 20 110 A G T <5 + 0 0 54 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.537 64.7 137.8 74.6 9.5 19.1 84.8 24.3 21 111 A K E < -A 16 0A 141 -5,-0.7 -5,-3.0 2,-0.0 2,-0.3 -0.728 60.4-120.6 -86.7 128.9 19.0 81.4 26.2 22 112 A P E -A 15 0A 103 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.569 30.7-169.5 -63.8 126.5 22.2 80.2 27.8 23 113 A A - 0 0 33 -9,-2.2 -9,-0.1 -2,-0.3 -8,-0.1 -0.532 5.0-160.2-125.4 68.4 22.7 76.8 26.1 24 114 A P - 0 0 57 0, 0.0 -12,-0.3 0, 0.0 -11,-0.1 -0.148 11.5-164.3 -55.9 134.4 25.6 74.9 27.9 25 115 A M S S+ 0 0 32 -14,-2.7 2,-0.3 -17,-0.2 -13,-0.2 0.458 74.2 56.5 -94.3 -8.4 27.2 72.1 25.9 26 116 A I S S- 0 0 3 -15,-0.3 94,-0.3 94,-0.2 2,-0.1 -0.939 87.3-111.9-127.5 147.3 28.9 70.6 29.1 27 117 A S > - 0 0 17 92,-1.7 4,-2.2 -2,-0.3 5,-0.2 -0.387 24.9-120.3 -73.4 155.8 27.3 69.4 32.4 28 118 A D H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.976 114.5 53.8 -55.7 -57.2 28.0 71.3 35.6 29 119 A D H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.884 111.4 41.0 -38.0 -62.7 29.5 68.1 37.0 30 120 A V H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.815 114.3 54.4 -68.5 -30.8 32.0 67.6 34.1 31 121 A Y H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.920 107.2 49.2 -66.7 -46.2 32.8 71.3 34.0 32 122 A N H X S+ 0 0 65 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.841 111.8 51.6 -58.4 -32.5 33.7 71.5 37.7 33 123 A I H < S+ 0 0 0 -4,-1.5 4,-0.5 -5,-0.3 -2,-0.2 0.913 108.3 49.1 -72.9 -43.1 35.9 68.4 37.1 34 124 A V H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 7,-0.2 0.886 113.9 46.7 -62.7 -40.0 37.8 69.9 34.2 35 125 A M H >< S+ 0 0 35 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.898 109.6 51.3 -74.2 -43.0 38.5 73.2 36.1 36 126 A E T 3< S+ 0 0 115 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.534 125.4 29.8 -70.4 -6.0 39.6 71.5 39.4 37 127 A N T <> S+ 0 0 48 -3,-0.6 4,-2.4 -4,-0.5 -1,-0.3 -0.018 78.5 134.2-140.1 29.9 42.1 69.4 37.3 38 128 A K H <> S+ 0 0 92 -3,-1.2 4,-2.7 1,-0.2 -33,-0.3 0.798 71.7 46.9 -62.2 -34.6 42.9 71.7 34.4 39 129 A D H > S+ 0 0 134 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.939 115.2 43.3 -73.5 -51.9 46.7 71.3 34.4 40 130 A K H > S+ 0 0 96 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.920 119.9 45.4 -54.8 -46.6 46.8 67.4 34.6 41 131 A L H >X S+ 0 0 0 -4,-2.4 4,-0.9 -7,-0.2 3,-0.8 0.958 113.6 46.8 -65.8 -52.3 43.9 67.3 32.1 42 132 A N H 3< S+ 0 0 15 -4,-2.7 3,-0.2 -5,-0.2 -1,-0.2 0.826 115.0 44.7 -61.1 -38.0 45.3 69.8 29.6 43 133 A S H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.483 101.7 68.3 -89.8 -5.7 48.9 68.4 29.5 44 134 A A H << S+ 0 0 24 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.797 79.0 99.3 -75.8 -30.8 47.7 64.8 29.3 45 135 A I < - 0 0 14 -4,-0.9 2,-0.8 -3,-0.2 3,-0.1 -0.387 60.6-158.0 -66.6 127.5 46.4 65.4 25.8 46 136 A V > - 0 0 52 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.855 7.3-173.8-101.3 91.5 48.7 64.3 22.9 47 137 A Y G > S+ 0 0 33 -2,-0.8 3,-1.6 1,-0.3 4,-0.3 0.649 76.2 77.7 -60.9 -18.9 47.5 66.4 20.0 48 138 A D G > S+ 0 0 121 1,-0.2 3,-1.0 2,-0.1 -1,-0.3 0.744 81.6 70.0 -58.4 -23.6 49.8 64.4 17.7 49 139 A R G < S+ 0 0 41 -3,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.487 76.9 78.0 -79.1 -2.6 47.2 61.7 17.8 50 140 A D G < S+ 0 0 25 -3,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.802 93.1 52.0 -71.4 -29.0 44.7 63.8 15.7 51 141 A F S < S+ 0 0 169 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.466 85.5 88.7 -83.7 -4.1 46.8 62.8 12.7 52 142 A Q S S+ 0 0 76 -3,-0.5 -1,-0.2 -4,-0.1 2,-0.2 -0.001 80.9 74.7 -83.8 29.1 46.5 59.1 13.7 53 143 A Y S S- 0 0 40 -3,-0.3 2,-0.2 1,-0.1 464,-0.1 -0.523 81.9-108.1-120.8-171.6 43.2 58.9 11.7 54 144 A S > - 0 0 40 462,-0.5 4,-1.9 -2,-0.2 5,-0.2 -0.582 31.8-105.8-108.5 179.6 42.2 58.7 8.0 55 145 A Y H > S+ 0 0 147 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.975 122.3 37.8 -69.0 -57.0 40.6 61.4 5.7 56 146 A F H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.744 118.2 54.0 -67.0 -23.6 37.1 59.8 5.6 57 147 A G H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.870 111.2 42.1 -75.7 -43.2 37.6 58.8 9.3 58 148 A F H X S+ 0 0 71 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.900 111.3 57.3 -66.0 -43.2 38.4 62.3 10.5 59 149 A K H X S+ 0 0 82 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.735 101.4 57.0 -60.2 -26.6 35.6 63.7 8.2 60 150 A T H X>S+ 0 0 20 -4,-0.7 4,-1.7 2,-0.2 5,-0.6 0.884 110.7 43.0 -70.4 -41.4 33.1 61.4 10.0 61 151 A L H X>S+ 0 0 6 -4,-1.0 5,-2.8 -3,-0.3 4,-1.7 0.906 117.7 46.8 -65.0 -45.0 34.1 63.0 13.4 62 152 A E H <5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.953 113.8 46.4 -66.3 -51.8 34.1 66.5 11.8 63 153 A R H <5S- 0 0 197 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.863 137.1 -2.0 -58.0 -42.0 30.7 66.1 10.0 64 154 A S H <5S+ 0 0 52 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.643 124.4 47.5-132.3 -16.3 28.8 64.6 13.0 65 155 A Y T <> - 0 0 82 -2,-0.4 4,-2.0 -3,-0.1 3,-1.0 -0.637 41.4-102.1 -80.8 157.2 39.4 68.7 18.2 77 167 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.820 123.7 55.3 -48.3 -39.0 39.3 64.9 18.3 78 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.833 107.7 50.6 -66.1 -32.6 41.5 64.7 21.4 79 169 A H H <> S+ 0 0 1 -3,-1.0 4,-3.2 2,-0.2 -1,-0.2 0.927 109.8 49.2 -67.2 -49.7 39.0 67.1 23.2 80 170 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.930 113.2 47.8 -53.0 -49.6 36.1 64.9 22.2 81 171 A I H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.884 112.9 47.0 -62.5 -40.5 37.9 61.8 23.5 82 172 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.891 111.4 52.4 -71.4 -37.8 38.9 63.5 26.7 83 173 A R H X S+ 0 0 2 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.920 111.3 46.3 -56.7 -46.0 35.3 64.7 27.1 84 174 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.948 110.9 53.1 -64.0 -46.0 34.0 61.2 26.7 85 175 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.886 115.0 40.2 -55.0 -43.6 36.6 59.8 29.1 86 176 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.859 110.7 57.9 -75.0 -38.5 35.5 62.3 31.8 87 177 A G H < S+ 0 0 2 -4,-2.7 32,-0.2 -5,-0.2 -2,-0.2 0.894 114.2 40.1 -56.3 -42.8 31.8 61.9 30.9 88 178 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.923 128.4 28.0 -67.5 -50.4 32.3 58.2 31.7 89 179 A H H >< S- 0 0 7 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.637 76.6-178.4 -97.9 -16.5 34.6 58.4 34.7 90 180 A G T 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 6,-0.1 -0.321 75.6 5.9 52.4-121.6 33.7 61.7 36.4 91 181 A R T 3 S+ 0 0 139 1,-0.1 2,-2.1 -2,-0.1 -1,-0.3 0.548 104.8 97.2 -68.5 -13.3 36.0 62.2 39.5 92 182 A D <> + 0 0 82 -3,-1.9 4,-2.8 1,-0.2 3,-0.4 -0.524 51.1 173.4 -82.5 79.1 38.1 59.2 38.8 93 183 A I H > S+ 0 0 20 -2,-2.1 4,-2.9 1,-0.3 -1,-0.2 0.867 73.1 50.8 -62.1 -41.5 40.8 61.1 37.1 94 184 A E H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.841 111.8 47.9 -65.8 -36.0 43.2 58.2 36.7 95 185 A A H > S+ 0 0 17 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.942 113.0 50.0 -65.5 -46.6 40.5 56.0 35.2 96 186 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.939 109.2 50.4 -53.8 -51.8 39.6 58.9 32.8 97 187 A L H X S+ 0 0 19 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.822 110.5 50.2 -60.6 -34.7 43.2 59.4 31.8 98 188 A E H X S+ 0 0 86 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.916 111.2 47.1 -67.7 -45.5 43.6 55.7 31.0 99 189 A T H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.927 110.0 55.7 -62.9 -41.2 40.4 55.7 28.9 100 190 A Y H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.921 112.3 41.4 -53.2 -50.2 41.8 58.8 27.2 101 191 A N H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 116.4 46.8 -67.3 -46.3 45.0 57.1 26.2 102 192 A L H <>S+ 0 0 16 -4,-2.7 5,-2.9 2,-0.2 6,-0.6 0.885 117.4 43.0 -66.9 -40.9 43.5 53.8 25.2 103 193 A M H ><5S+ 0 0 7 -4,-3.0 3,-0.7 -5,-0.2 -2,-0.2 0.921 114.2 50.4 -68.1 -44.3 40.8 55.4 23.1 104 194 A S H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.830 111.4 48.2 -65.0 -35.8 43.2 58.0 21.6 105 195 A L T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.595 119.3-118.5 -75.1 -14.3 45.6 55.2 20.6 106 196 A K T < 5S+ 0 0 25 -3,-0.7 248,-0.2 -4,-0.5 -3,-0.2 0.849 70.9 134.5 82.5 39.3 42.5 53.4 19.2 107 197 A Y S > - 0 0 10 236,-1.8 4,-1.7 -2,-0.3 3,-1.0 -0.197 48.0 -98.6 -61.0 158.1 29.1 53.6 20.7 112 202 A S H 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 119.8 54.7 -41.1 -55.1 27.8 56.8 18.9 113 203 A P H 3> S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.787 107.7 51.1 -60.9 -30.5 25.5 58.0 21.6 114 204 A T H <> S+ 0 0 2 -3,-1.0 4,-3.2 11,-0.4 -2,-0.2 0.946 111.1 47.6 -64.9 -48.6 28.3 58.0 24.2 115 205 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.823 117.5 42.9 -62.9 -38.3 30.5 60.0 21.9 116 206 A F H < S+ 0 0 79 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.900 129.4 23.3 -65.9 -45.9 27.7 62.5 21.2 117 207 A N H >< S+ 0 0 39 -4,-2.0 3,-1.8 -5,-0.2 2,-0.2 0.529 80.5 118.8-116.4 -15.9 26.5 62.8 24.7 118 208 A A T 3< S+ 0 0 0 -4,-3.2 -31,-0.2 1,-0.2 -30,-0.1 -0.433 90.8 11.2 -57.0 123.7 29.2 61.9 27.3 119 209 A G T 3 S+ 0 0 2 1,-0.3 -92,-1.7 -32,-0.2 -1,-0.2 0.539 102.4 114.6 85.6 7.2 29.9 64.9 29.5 120 210 A T S < S- 0 0 15 -3,-1.8 -1,-0.3 -94,-0.3 -94,-0.2 -0.567 82.7 -98.5-100.4 167.3 26.9 67.0 28.2 121 211 A P S S+ 0 0 64 0, 0.0 -93,-0.1 0, 0.0 -96,-0.1 0.793 120.6 36.4 -62.1 -33.0 23.9 68.1 30.4 122 212 A K S S- 0 0 121 -5,-0.1 2,-1.6 2,-0.1 269,-0.1 -0.760 82.2-169.9-115.7 82.5 21.6 65.3 29.2 123 213 A P + 0 0 27 0, 0.0 268,-2.9 0, 0.0 2,-1.1 -0.555 12.7 171.3 -84.7 85.2 24.1 62.4 28.9 124 214 A Q + 0 0 0 -2,-1.6 -7,-0.2 266,-0.2 -8,-0.1 -0.834 5.8 165.3 -96.6 96.3 22.1 59.7 27.1 125 215 A M + 0 0 2 -2,-1.1 -11,-0.4 261,-0.2 2,-0.3 0.474 35.9 101.8 -98.8 -2.4 24.9 57.3 26.4 126 216 A S - 0 0 0 265,-0.3 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0 -2,-0.6 62,-2.1 -220,-0.2 2,-0.3 -0.879 23.4-172.3-111.4 95.8 25.2 49.8 26.8 347 445 A L E + d 0 408C 9 -2,-0.7 -236,-1.8 -222,-0.3 2,-0.3 -0.691 24.1 150.6-112.0 146.2 27.6 49.4 23.9 348 446 A A E -Cd 110 409C 2 60,-1.3 62,-2.6 -2,-0.3 2,-0.4 -0.960 27.5-137.7-160.6 147.3 31.3 49.7 23.1 349 447 A S E -Cd 109 410C 3 -240,-1.5 -240,-2.5 -2,-0.3 2,-0.4 -0.951 6.2-141.4-121.1 134.1 33.7 48.1 20.7 350 448 A V E -Cd 108 411C 0 60,-2.7 62,-2.2 -2,-0.4 2,-0.9 -0.750 23.3-128.9 -82.4 130.9 37.2 46.7 21.0 351 449 A A E > - d 0 412C 0 -244,-2.8 3,-0.9 -2,-0.4 62,-0.2 -0.745 20.8-164.3 -84.0 103.5 39.5 47.4 18.0 352 450 A L G > S+ 0 0 0 60,-2.5 3,-1.1 -2,-0.9 -1,-0.2 0.825 79.9 58.8 -64.3 -36.1 40.8 43.9 17.3 353 451 A P G > S+ 0 0 10 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.754 85.9 79.1 -66.9 -22.8 43.8 44.9 15.0 354 452 A A G < S+ 0 0 28 -3,-0.9 -2,-0.1 1,-0.3 -247,-0.1 0.509 90.4 56.9 -59.7 -2.7 45.4 47.1 17.8 355 453 A F G < S+ 0 0 1 -3,-1.1 13,-3.3 -4,-0.1 2,-0.4 0.363 75.2 113.1-115.6 2.3 46.7 43.8 19.3 356 454 A I E < -P 367 0I 35 -3,-2.0 2,-0.4 11,-0.2 11,-0.2 -0.647 46.3-174.1 -76.0 125.7 48.6 42.5 16.3 357 455 A E E -P 366 0I 79 9,-4.2 9,-5.2 -2,-0.4 2,-0.9 -0.991 24.5-147.4-128.8 134.0 52.4 42.6 17.1 358 456 A T - 0 0 98 -2,-0.4 2,-0.5 7,-0.3 3,-0.3 -0.833 34.2-179.6-100.8 96.0 55.3 41.8 14.8 359 457 A S + 0 0 61 -2,-0.9 -2,-0.1 5,-0.2 5,-0.0 -0.898 48.2 9.3-117.6 124.3 57.8 40.2 17.2 360 458 A E S S- 0 0 177 -2,-0.5 -1,-0.2 2,-0.0 4,-0.1 0.881 109.0 -71.4 80.8 52.7 61.4 38.8 16.7 361 459 A D S > S+ 0 0 144 -3,-0.3 3,-0.6 1,-0.1 -2,-0.1 0.321 91.9 51.9 62.4 169.1 62.2 40.0 13.0 362 460 A G T 3 S- 0 0 70 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.0 -0.175 107.7 -40.1 74.8-159.0 60.9 38.8 9.6 363 461 A K T 3 S+ 0 0 189 2,-0.0 2,-0.4 -5,-0.0 -1,-0.2 0.557 96.6 120.4 -81.8 -8.9 57.3 38.5 8.3 364 462 A T < + 0 0 70 -3,-0.6 2,-0.4 -4,-0.1 -5,-0.2 -0.428 34.2 172.7 -71.7 116.7 56.1 37.0 11.6 365 463 A S - 0 0 31 -2,-0.4 -7,-0.3 -7,-0.2 2,-0.3 -0.934 10.7-164.0-115.2 141.8 53.3 38.9 13.4 366 464 A T E -P 357 0I 75 -9,-5.2 -9,-4.2 -2,-0.4 2,-0.5 -0.799 19.9-114.7-120.0 172.4 51.6 37.6 16.5 367 465 A Y E -P 356 0I 20 -2,-0.3 2,-1.4 -11,-0.2 -11,-0.2 -0.911 19.7-139.9-110.0 124.2 48.4 38.4 18.3 368 466 A N > + 0 0 38 -13,-3.3 4,-1.5 -2,-0.5 3,-0.2 -0.639 27.0 169.9 -88.0 91.0 48.6 39.8 21.9 369 467 A F H > S+ 0 0 38 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.789 75.7 59.4 -69.3 -29.7 45.8 38.1 23.8 370 468 A K H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 107.5 45.3 -65.1 -40.3 47.1 39.4 27.1 371 469 A K H > S+ 0 0 57 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.801 113.1 51.8 -71.8 -34.0 46.7 43.0 26.0 372 470 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.912 108.1 50.5 -64.3 -47.4 43.2 42.1 24.6 373 471 A H H X S+ 0 0 14 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.911 113.2 48.8 -54.5 -44.4 42.2 40.6 27.9 374 472 A E H >X S+ 0 0 99 -4,-1.7 4,-1.3 2,-0.2 3,-0.5 0.942 111.1 45.5 -64.1 -55.2 43.4 43.8 29.6 375 473 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.885 109.7 55.8 -60.7 -38.9 41.6 46.3 27.3 376 474 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.806 104.9 54.4 -59.3 -34.8 38.4 44.3 27.5 377 475 A K H > S- 0 0 11 1,-0.1 4,-1.2 -52,-0.1 3,-0.7 -0.976 76.7-123.7-137.5 153.3 12.1 57.1 30.7 395 493 A E H 3> S+ 0 0 111 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.882 106.9 65.2 -65.4 -39.3 11.8 55.5 34.1 396 494 A E H 3> S+ 0 0 36 1,-0.2 -54,-2.1 2,-0.2 4,-1.9 0.842 104.6 48.0 -46.6 -36.0 11.2 52.0 32.7 397 495 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -56,-0.2 -1,-0.2 0.849 109.4 50.2 -80.5 -35.1 14.8 52.1 31.3 398 496 A R H X S+ 0 0 95 -4,-1.2 4,-2.3 -3,-0.2 5,-0.3 0.950 111.4 49.9 -65.9 -51.0 16.4 53.3 34.6 399 497 A K H X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.929 112.4 47.5 -54.4 -50.4 14.6 50.5 36.5 400 498 A S H X S+ 0 0 2 -4,-1.9 4,-1.7 -5,-0.2 5,-0.4 0.940 114.7 43.6 -54.4 -53.9 15.8 47.9 34.0 401 499 A N H X S+ 0 0 0 -4,-2.4 4,-1.5 -59,-0.3 -2,-0.2 0.884 115.4 47.7 -65.1 -38.7 19.5 49.0 33.8 402 500 A M H < S+ 0 0 52 -4,-2.3 58,-0.4 -5,-0.2 -1,-0.2 0.838 112.6 49.1 -73.2 -32.9 19.9 49.5 37.6 403 501 A R H < S+ 0 0 92 -4,-1.7 58,-0.9 -5,-0.3 57,-0.6 0.842 129.9 13.1 -76.2 -38.3 18.4 46.2 38.5 404 502 A H H < S- 0 0 2 -4,-1.7 98,-2.3 -5,-0.2 99,-0.2 0.517 82.5-149.7-121.4 -14.1 20.3 43.8 36.2 405 503 A R < - 0 0 3 -4,-1.5 98,-0.2 -5,-0.4 -4,-0.1 0.767 22.1-173.2 47.5 48.9 23.1 45.9 34.9 406 504 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 98,-0.2 -0.417 3.2-166.3 -78.8 148.2 23.6 44.3 31.5 407 505 A I - 0 0 0 96,-1.9 2,-0.3 -2,-0.1 -60,-0.1 -0.855 12.0-150.0-131.4 154.5 26.5 45.3 29.3 408 506 A A E -d 347 0C 0 -62,-2.1 -60,-1.3 -2,-0.3 97,-0.3 -0.711 12.3-175.5-137.4 91.6 27.3 44.8 25.6 409 507 A L E +de 348 505C 1 95,-3.1 97,-2.5 -2,-0.3 2,-0.2 -0.617 14.8 174.4 -78.4 136.6 31.0 44.6 24.6 410 508 A G E -d 349 0C 1 -62,-2.6 -60,-2.7 -2,-0.3 2,-0.3 -0.629 19.1-127.3-131.5-171.0 31.6 44.2 20.8 411 509 A V E -d 350 0C 2 -62,-0.3 2,-0.3 97,-0.2 -60,-0.2 -0.929 11.1-166.8-138.1 159.3 34.4 44.2 18.3 412 510 A Q E +d 351 0C 0 -62,-2.2 -60,-2.5 -2,-0.3 109,-0.2 -0.976 66.4 36.0-141.8 159.0 35.5 45.9 15.2 413 511 A G > + 0 0 0 107,-1.8 4,-2.9 -2,-0.3 110,-0.1 0.702 60.6 140.7 75.4 22.0 38.2 45.1 12.6 414 512 A L H > S+ 0 0 0 108,-1.8 4,-2.5 106,-0.2 5,-0.2 0.952 79.7 44.0 -52.3 -57.2 37.9 41.2 12.6 415 513 A A H > S+ 0 0 2 109,-0.8 4,-2.7 107,-0.3 5,-0.2 0.948 113.6 52.3 -55.3 -49.1 38.3 41.1 8.8 416 514 A D H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 109.3 50.5 -50.1 -48.3 41.2 43.6 9.1 417 515 A T H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.906 110.6 47.4 -56.4 -48.9 42.8 41.4 11.8 418 516 A F H <>S+ 0 0 2 -4,-2.5 5,-3.5 1,-0.2 -2,-0.2 0.937 114.3 47.6 -62.0 -47.5 42.6 38.3 9.6 419 517 A M H <5S+ 0 0 11 -4,-2.7 3,-0.5 3,-0.2 -1,-0.2 0.751 109.7 51.2 -64.1 -34.5 44.0 40.2 6.6 420 518 A L H <5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.2 47.6 -74.2 -31.1 46.9 41.8 8.4 421 519 A L T <5S- 0 0 25 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.331 117.6-118.5 -89.0 5.8 47.9 38.4 9.8 422 520 A R T 5 + 0 0 96 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.812 64.8 145.3 62.8 33.4 47.5 37.0 6.2 423 521 A L < - 0 0 33 -5,-3.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.904 49.8-128.4-106.1 123.0 44.7 34.6 7.2 424 522 A P > - 0 0 27 0, 0.0 3,-2.1 0, 0.0 6,-0.4 -0.472 24.6-121.2 -59.0 139.6 41.9 33.8 4.7 425 523 A F T 3 S+ 0 0 16 153,-0.4 154,-0.1 1,-0.3 153,-0.0 0.851 114.1 47.8 -51.0 -35.2 38.5 34.3 6.4 426 524 A D T 3 S+ 0 0 58 152,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.280 90.4 113.1 -96.2 9.5 37.7 30.7 5.6 427 525 A S S <> S- 0 0 17 -3,-2.1 4,-2.2 1,-0.1 5,-0.1 -0.370 77.9-117.7 -81.9 158.9 41.0 29.2 6.9 428 526 A E H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.780 118.0 54.1 -59.0 -31.0 41.6 26.9 9.9 429 527 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.841 107.2 47.4 -75.6 -38.8 43.8 29.7 11.3 430 528 A A H > S+ 0 0 0 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.926 111.4 54.0 -63.4 -42.2 41.0 32.4 11.0 431 529 A R H X S+ 0 0 91 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.863 112.4 42.7 -58.9 -39.3 38.6 29.8 12.6 432 530 A L H X S+ 0 0 44 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.906 111.9 51.9 -76.1 -43.7 41.0 29.3 15.6 433 531 A L H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.915 107.6 54.9 -59.9 -42.2 41.8 33.0 16.1 434 532 A N H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.891 109.4 46.6 -50.1 -49.2 38.0 33.8 16.1 435 533 A I H X S+ 0 0 16 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.862 113.8 48.6 -63.2 -39.4 37.5 31.3 18.9 436 534 A Q H X S+ 0 0 29 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.942 109.9 49.1 -73.4 -51.4 40.4 32.7 20.9 437 535 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.936 114.5 45.4 -45.8 -56.7 39.6 36.4 20.7 438 536 A F H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.836 112.6 52.6 -68.9 -28.3 35.9 35.8 21.8 439 537 A E H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.931 110.9 45.3 -66.5 -46.9 37.1 33.5 24.5 440 538 A T H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.937 112.6 51.0 -68.5 -39.4 39.5 36.1 25.9 441 539 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.855 113.8 45.5 -61.0 -38.9 36.9 38.9 25.7 442 540 A Y H X S+ 0 0 5 -4,-1.7 4,-2.3 -5,-0.2 5,-0.3 0.938 115.1 46.2 -69.9 -48.6 34.4 36.8 27.5 443 541 A H H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.934 116.0 46.4 -55.7 -49.0 36.8 35.7 30.2 444 542 A A H X S+ 0 0 0 -4,-3.4 4,-3.2 -5,-0.2 5,-0.3 0.945 113.1 47.4 -62.5 -51.8 38.1 39.3 30.6 445 543 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 115.6 45.3 -57.3 -43.6 34.7 40.9 30.8 446 544 A M H X S+ 0 0 6 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.885 113.8 50.4 -68.4 -35.2 33.4 38.3 33.3 447 545 A E H X S+ 0 0 52 -4,-2.2 4,-2.3 -5,-0.3 3,-0.4 0.957 113.4 44.4 -65.2 -49.6 36.6 38.6 35.3 448 546 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.881 112.6 52.8 -61.0 -37.1 36.4 42.4 35.5 449 547 A S H X S+ 0 0 0 -4,-2.1 51,-1.8 -5,-0.3 4,-1.7 0.788 108.0 51.0 -69.0 -29.4 32.7 42.2 36.3 450 548 A C H X S+ 0 0 3 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.895 107.3 53.0 -74.2 -45.8 33.5 39.8 39.2 451 549 A E H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.948 109.9 49.5 -48.3 -52.0 36.0 42.3 40.5 452 550 A L H X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.866 106.7 54.1 -56.5 -42.9 33.3 44.9 40.4 453 551 A A H X S+ 0 0 3 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.839 106.9 52.5 -60.5 -35.7 30.9 42.5 42.3 454 552 A Q H < S+ 0 0 103 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.897 115.3 41.4 -65.3 -41.6 33.5 42.2 45.0 455 553 A K H < S+ 0 0 162 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.1 0.925 135.5 12.1 -70.1 -45.8 33.7 46.0 45.3 456 554 A D H < S- 0 0 101 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.274 109.4 -98.7-123.1 4.4 30.0 47.0 45.0 457 555 A G < - 0 0 26 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.010 49.3 -66.6 90.7 158.1 28.0 43.8 45.4 458 556 A P - 0 0 57 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.384 66.7 -80.3 -75.9 159.8 26.4 41.6 42.7 459 557 A Y > - 0 0 6 40,-1.6 3,-1.9 -55,-0.1 4,-0.3 -0.198 50.3-103.0 -56.9 158.1 23.6 43.0 40.5 460 558 A E T 3 S+ 0 0 135 -57,-0.6 3,-0.3 -58,-0.4 -56,-0.2 0.735 118.7 43.0 -60.5 -28.6 20.2 42.8 42.3 461 559 A T T 3 S+ 0 0 13 -58,-0.9 -1,-0.3 1,-0.2 -141,-0.1 0.174 78.8 111.1-106.5 17.6 18.9 39.7 40.4 462 560 A F X + 0 0 16 -3,-1.9 3,-1.7 2,-0.1 6,-0.4 0.875 56.5 84.4 -56.4 -44.2 22.2 37.7 40.5 463 561 A Q T 3 S+ 0 0 172 -4,-0.3 4,-0.0 1,-0.3 6,-0.0 -0.425 96.0 22.5 -68.9 135.1 20.8 35.0 42.9 464 562 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.391 97.5 127.1 90.3 -1.1 18.9 32.2 41.1 465 563 A S S X> S- 0 0 0 -3,-1.7 3,-0.9 1,-0.1 4,-0.8 -0.595 74.0-114.0 -87.3 150.6 20.7 33.0 37.9 466 564 A P G >4>S+ 0 0 9 0, 0.0 5,-2.7 0, 0.0 3,-1.6 0.892 117.1 55.4 -43.6 -50.0 22.6 30.4 35.7 467 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.4 3,-0.2 31,-0.1 0.846 103.0 55.9 -57.3 -36.5 25.9 32.2 36.5 468 566 A S G <45S+ 0 0 16 -3,-0.9 -1,-0.3 -6,-0.4 4,-0.1 0.649 105.8 50.9 -71.1 -17.3 25.3 31.9 40.2 469 567 A Q G <<5S- 0 0 126 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.126 127.8-100.6-101.2 14.3 25.0 28.1 39.8 470 568 A G T < 5S+ 0 0 9 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.503 80.1 138.8 79.6 7.2 28.3 28.0 37.9 471 569 A I < - 0 0 72 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.749 29.5-177.7 -87.5 107.6 26.5 27.8 34.5 472 570 A L > - 0 0 3 -2,-0.9 4,-1.1 -3,-0.1 3,-0.4 -0.439 42.6 -88.9 -98.0 178.8 28.4 30.1 32.2 473 571 A Q T >4 S+ 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