==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-APR-09 2WGH . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.WELIN,M.MOCHE,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA, . 1301 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 900 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 60 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 470 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.1 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 4 2 7 3 3 3 8 3 4 6 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 2 0 6 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 PARALLEL BRIDGES PER LADDER . 9 6 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 2 0 0 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 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 77 A L >> 0 0 158 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-139.6 25.7 18.8 60.9 2 78 A A H 3> + 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.647 360.0 76.7 -62.4 -18.4 27.8 21.5 59.1 3 79 A A H 3> S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 91.0 52.1 -56.1 -38.3 25.9 20.0 56.1 4 80 A R H <> S+ 0 0 155 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.946 107.3 51.6 -63.0 -47.6 22.8 21.9 57.3 5 81 A I H X S+ 0 0 105 -4,-0.8 4,-2.7 1,-0.2 -2,-0.2 0.924 110.1 47.3 -60.7 -47.0 24.8 25.1 57.4 6 82 A A H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.831 113.0 49.4 -63.3 -34.8 26.1 24.8 53.9 7 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.935 109.8 50.7 -71.1 -46.8 22.7 23.9 52.5 8 84 A S H X S+ 0 0 39 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.941 110.5 51.1 -53.4 -46.8 21.1 26.8 54.3 9 85 A N H X S+ 0 0 78 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.911 107.4 51.7 -60.7 -39.9 23.9 29.0 52.8 10 86 A L H < S+ 0 0 9 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.929 108.8 51.5 -59.5 -42.0 23.1 27.7 49.2 11 87 A H H >< S+ 0 0 32 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.833 107.6 53.3 -64.0 -35.3 19.5 28.5 49.7 12 88 A K H 3< S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.7 45.5 -60.7 -37.4 20.5 32.1 50.8 13 89 A E T 3< S+ 0 0 106 -4,-1.5 2,-0.3 -3,-0.3 -1,-0.2 0.250 108.8 60.7-101.7 11.1 22.5 32.5 47.6 14 90 A T S < S- 0 0 17 -3,-0.7 2,-0.1 -4,-0.3 74,-0.1 -0.968 84.7-107.2-136.1 151.4 20.0 31.2 45.1 15 91 A K - 0 0 109 -2,-0.3 75,-0.1 73,-0.3 -2,-0.1 -0.448 24.0-146.3 -66.4 147.9 16.5 32.1 44.0 16 92 A K S S+ 0 0 121 -2,-0.1 2,-0.5 -4,-0.1 -1,-0.1 0.754 70.7 93.4 -87.9 -26.2 14.0 29.5 45.2 17 93 A V > - 0 0 53 1,-0.2 4,-1.9 2,-0.1 3,-0.4 -0.511 64.5-151.8 -78.9 121.8 11.6 29.6 42.2 18 94 A F H > S+ 0 0 0 -2,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.881 92.2 48.2 -62.5 -41.1 12.5 26.9 39.8 19 95 A S H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.796 109.9 54.7 -72.8 -24.0 11.2 28.5 36.6 20 96 A D H > S+ 0 0 68 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.915 107.8 48.2 -71.9 -39.4 13.0 31.8 37.5 21 97 A V H X S+ 0 0 2 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.839 111.7 52.4 -70.4 -30.6 16.3 30.0 37.8 22 98 A M H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.824 106.0 51.8 -71.5 -37.1 15.6 28.3 34.5 23 99 A E H X S+ 0 0 64 -4,-1.7 4,-3.5 2,-0.2 -2,-0.2 0.947 108.6 51.6 -61.8 -47.3 14.9 31.7 32.9 24 100 A D H X S+ 0 0 47 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.830 110.8 49.5 -57.3 -37.1 18.3 33.0 34.2 25 101 A L H < S+ 0 0 0 -4,-1.3 14,-2.6 2,-0.2 3,-0.5 0.920 115.0 41.3 -71.4 -45.1 20.0 30.0 32.7 26 102 A Y H < S+ 0 0 44 -4,-2.3 -2,-0.2 12,-0.3 -3,-0.2 0.940 116.3 50.4 -66.7 -42.1 18.4 30.3 29.3 27 103 A N H < S+ 0 0 86 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.582 81.4 134.9 -73.2 -12.2 18.8 34.1 29.2 28 104 A Y < - 0 0 38 -4,-0.7 9,-1.7 -3,-0.5 2,-0.5 -0.064 38.5-161.2 -49.9 130.1 22.5 34.0 30.1 29 105 A I B -A 36 0A 104 7,-0.2 7,-0.3 9,-0.0 6,-0.1 -0.943 22.3-123.0-113.0 128.2 24.8 36.2 28.1 30 106 A N > - 0 0 14 5,-3.4 4,-3.5 -2,-0.5 5,-0.3 -0.646 20.4-151.9 -73.0 121.7 28.5 35.5 28.1 31 107 A P T 4 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.759 91.3 48.4 -74.0 -26.7 30.1 38.7 29.3 32 108 A H T 4 S+ 0 0 188 1,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.902 126.6 29.4 -76.1 -38.8 33.5 38.4 27.6 33 109 A N T 4 S- 0 0 86 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.841 88.8-139.1 -77.4 -43.5 31.7 37.6 24.3 34 110 A G < + 0 0 55 -4,-3.5 2,-0.2 1,-0.3 -2,-0.0 0.383 59.3 141.3 77.6 0.5 28.4 39.4 24.6 35 111 A K - 0 0 137 -5,-0.3 -5,-3.4 -6,-0.1 2,-0.8 -0.533 61.3-120.1 -78.0 136.8 27.1 36.2 23.0 36 112 A H B +A 29 0A 90 -7,-0.3 -7,-0.2 -2,-0.2 -8,-0.1 -0.677 39.0 173.2 -67.7 109.1 23.8 34.7 24.1 37 113 A S - 0 0 39 -9,-1.7 -9,-0.1 -2,-0.8 -1,-0.1 -0.727 18.7-153.7-125.1 83.6 24.8 31.3 25.4 38 114 A P - 0 0 38 0, 0.0 -12,-0.3 0, 0.0 97,-0.2 -0.270 8.7-155.3 -56.2 134.8 21.8 29.7 27.0 39 115 A M S S+ 0 0 36 -14,-2.6 2,-0.3 -17,-0.1 -13,-0.2 0.434 81.8 44.1 -91.5 1.3 22.8 27.1 29.6 40 116 A V S S- 0 0 0 -15,-0.3 94,-0.3 94,-0.2 2,-0.2 -0.989 95.9 -98.8-141.1 148.7 19.4 25.4 29.0 41 117 A A >> - 0 0 6 92,-1.7 4,-2.3 -2,-0.3 3,-0.6 -0.465 22.1-135.3 -65.3 128.1 17.5 24.4 25.9 42 118 A K H 3> S+ 0 0 90 -2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.851 105.8 63.1 -40.7 -42.0 14.7 26.8 25.0 43 119 A S H 3> S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 107.0 42.4 -59.6 -40.6 12.5 23.7 24.3 44 120 A T H <> S+ 0 0 8 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.898 112.3 52.7 -71.4 -44.1 12.8 22.8 28.0 45 121 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.970 108.7 52.0 -58.7 -49.2 12.3 26.3 29.2 46 122 A D H X S+ 0 0 77 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.939 109.8 46.7 -50.3 -53.9 9.2 26.6 27.1 47 123 A I H X S+ 0 0 24 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.864 113.7 51.4 -58.4 -35.5 7.6 23.4 28.5 48 124 A V H >< S+ 0 0 0 -4,-2.2 3,-1.0 -3,-0.2 7,-0.2 0.933 109.4 47.4 -67.4 -46.5 8.6 24.6 32.0 49 125 A L H >< S+ 0 0 56 -4,-2.7 3,-1.0 1,-0.3 4,-0.2 0.864 108.5 54.8 -66.5 -34.0 7.0 28.1 31.7 50 126 A A H 3< S+ 0 0 83 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.660 122.7 29.5 -72.3 -12.4 3.8 26.6 30.3 51 127 A N T + 0 0 97 -3,-1.0 4,-4.3 1,-0.2 5,-0.5 0.862 67.9 51.9 -66.1 -46.2 5.3 26.6 36.0 53 129 A D H > S+ 0 0 125 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 117.4 41.3 -55.9 -49.0 2.8 26.7 38.9 54 130 A R H > S+ 0 0 115 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.917 122.0 40.3 -67.4 -42.7 2.5 22.9 38.9 55 131 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 -7,-0.2 4,-0.3 0.940 116.2 48.2 -72.0 -46.2 6.2 22.4 38.4 56 132 A N H >< S+ 0 0 29 -4,-4.3 3,-0.9 1,-0.2 -3,-0.2 0.886 114.6 47.8 -57.1 -41.2 7.5 25.1 40.8 57 133 A S H 3< S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.2 0.605 98.6 67.3 -85.6 -11.0 5.1 24.0 43.5 58 134 A A T << S+ 0 0 19 -4,-0.7 2,-0.4 -3,-0.7 -1,-0.2 0.518 80.2 104.9 -76.8 -3.2 6.0 20.3 43.2 59 135 A I < - 0 0 10 -3,-0.9 2,-1.0 -4,-0.3 3,-0.1 -0.612 57.4-157.6 -97.0 128.6 9.4 21.0 44.6 60 136 A I > - 0 0 74 -2,-0.4 3,-2.1 1,-0.2 4,-0.2 -0.751 9.1-176.5-107.2 93.3 10.3 20.1 48.1 61 137 A Y G > S+ 0 0 19 -2,-1.0 3,-1.3 1,-0.3 4,-0.3 0.673 76.9 70.9 -63.1 -18.3 13.2 22.2 49.0 62 138 A D G > S+ 0 0 129 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.739 83.9 72.6 -71.4 -18.5 13.6 20.7 52.4 63 139 A R G X S+ 0 0 54 -3,-2.1 3,-2.2 1,-0.2 -1,-0.3 0.757 80.0 74.0 -63.2 -25.3 14.9 17.6 50.5 64 140 A D G X S+ 0 0 0 -3,-1.3 3,-1.0 1,-0.3 -1,-0.2 0.808 90.8 57.4 -56.5 -31.9 18.1 19.7 49.8 65 141 A F G < S+ 0 0 70 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.533 84.9 83.4 -75.5 -6.4 19.0 19.0 53.5 66 142 A S G < S+ 0 0 39 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.683 73.9 88.6 -71.2 -21.3 18.8 15.3 52.8 67 143 A Y S < S- 0 0 9 -3,-1.0 2,-0.1 -4,-0.2 468,-0.1 -0.460 74.7-130.8 -75.7 147.2 22.4 15.2 51.5 68 144 A N > - 0 0 68 466,-0.4 4,-2.5 -2,-0.1 5,-0.2 -0.307 36.8 -86.1 -84.7-176.7 25.3 14.7 53.8 69 145 A Y H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.924 125.7 37.4 -61.4 -54.5 28.4 16.9 53.8 70 146 A F H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 116.3 56.1 -69.8 -30.0 30.6 15.3 51.1 71 147 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 109.3 45.3 -65.3 -43.5 27.4 14.6 49.0 72 148 A F H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.880 112.2 51.1 -69.6 -40.2 26.4 18.2 49.0 73 149 A K H X S+ 0 0 86 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.805 107.6 53.6 -62.7 -35.7 29.9 19.5 48.2 74 150 A T H X S+ 0 0 8 -4,-1.6 4,-2.1 2,-0.2 5,-0.4 0.951 110.2 45.8 -66.8 -52.1 30.2 17.1 45.3 75 151 A L H X>S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 5,-1.6 0.889 111.9 54.6 -52.3 -43.0 27.0 18.4 43.8 76 152 A E H <5S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 110.3 45.2 -65.5 -34.4 28.2 22.0 44.4 77 153 A R H <5S- 0 0 149 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.924 136.1 -1.1 -74.0 -45.2 31.4 21.4 42.6 78 154 A S H <5S+ 0 0 34 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.669 120.7 54.2-127.7 -23.9 30.1 19.7 39.5 79 155 A Y T <5S+ 0 0 11 -4,-2.2 2,-0.5 -5,-0.4 -3,-0.2 0.629 89.0 75.0-103.2 -15.3 26.3 19.0 39.2 80 156 A L S S-B 86 0B 38 3,-2.8 3,-1.3 -2,-0.4 -58,-0.0 -0.948 88.5 -21.9-101.4 108.3 26.1 31.6 36.2 84 160 A N T 3 S- 0 0 102 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.920 128.1 -47.6 59.4 52.0 29.4 33.4 36.1 85 161 A G T 3 S+ 0 0 66 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.375 120.3 106.9 72.1 -4.6 31.2 31.2 38.7 86 162 A K E < S-B 83 0B 113 -3,-1.3 -3,-2.8 1,-0.0 -1,-0.1 -0.937 77.2-113.2-114.5 127.8 28.2 31.5 41.1 87 163 A V E +B 82 0B 24 -2,-0.5 -5,-0.2 -5,-0.3 -6,-0.1 -0.230 33.6 174.1 -57.1 124.9 25.8 28.6 41.6 88 164 A A + 0 0 15 -7,-2.7 2,-0.3 -74,-0.1 -73,-0.3 0.779 57.4 71.5 -97.5 -37.4 22.3 29.3 40.2 89 165 A E - 0 0 0 -8,-1.3 -73,-0.1 -75,-0.1 -9,-0.0 -0.618 63.3-149.7 -91.6 136.6 20.7 25.9 40.8 90 166 A R > - 0 0 17 -2,-0.3 4,-2.2 -75,-0.1 3,-0.2 -0.521 40.0-104.0 -82.6 161.3 19.7 24.1 44.0 91 167 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.912 123.5 55.5 -51.6 -41.7 19.9 20.4 43.9 92 168 A Q H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.859 106.7 49.4 -64.1 -34.3 16.1 20.3 43.6 93 169 A H H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 108.4 53.4 -67.7 -43.1 16.2 22.4 40.4 94 170 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.843 110.3 47.4 -58.5 -38.1 18.8 20.3 39.0 95 171 A L H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.821 113.6 46.8 -76.2 -31.8 16.7 17.2 39.5 96 172 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.817 110.5 53.1 -80.6 -27.4 13.6 18.9 38.0 97 173 A R H X S+ 0 0 1 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.961 111.6 46.3 -64.9 -48.8 15.6 20.1 35.1 98 174 A V H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.872 111.7 52.5 -57.6 -39.8 16.7 16.6 34.5 99 175 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.920 114.6 38.4 -66.3 -48.3 13.2 15.3 34.9 100 176 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.841 111.4 63.5 -69.5 -30.6 11.6 17.6 32.3 101 177 A G H < S+ 0 0 7 -4,-2.6 32,-0.3 -5,-0.3 -2,-0.2 0.838 112.3 33.6 -59.8 -36.4 14.7 17.1 30.3 102 178 A I H < S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.826 128.7 36.1 -85.1 -35.2 13.8 13.5 30.0 103 179 A H H >< S+ 0 0 9 -4,-2.1 3,-1.5 1,-0.2 2,-0.2 0.703 76.8 179.6-102.3 -17.7 10.1 13.8 29.9 104 180 A K T 3< S+ 0 0 96 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.1 -0.380 72.4 7.9 56.0-117.4 9.4 16.9 28.0 105 181 A E T 3 S+ 0 0 144 -2,-0.2 2,-1.3 1,-0.1 -1,-0.3 0.656 108.3 90.7 -72.0 -23.8 5.6 17.6 27.6 106 182 A D <> + 0 0 70 -3,-1.5 4,-1.8 1,-0.2 -1,-0.1 -0.626 47.3 170.7 -79.1 92.0 4.5 14.8 30.0 107 183 A I H > S+ 0 0 7 -2,-1.3 4,-2.9 2,-0.2 5,-0.3 0.902 75.0 59.8 -71.8 -39.1 4.4 16.6 33.3 108 184 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 110.7 42.0 -50.8 -48.9 2.8 13.7 35.1 109 185 A A H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 112.2 56.0 -67.2 -35.1 5.8 11.6 34.1 110 186 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.893 107.3 46.8 -67.9 -40.4 8.2 14.4 35.0 111 187 A I H X S+ 0 0 24 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.904 108.9 54.9 -71.1 -39.3 6.9 14.7 38.5 112 188 A E H X S+ 0 0 101 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.905 113.3 42.9 -55.8 -44.5 7.0 11.0 39.2 113 189 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.913 111.1 55.4 -70.7 -40.9 10.6 11.0 38.2 114 190 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.938 111.4 43.4 -56.5 -49.5 11.3 14.2 40.1 115 191 A N H X S+ 0 0 47 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.909 112.3 52.2 -65.6 -41.4 10.0 12.7 43.3 116 192 A L H X>S+ 0 0 16 -4,-2.0 5,-2.4 -5,-0.3 4,-0.7 0.954 116.4 41.3 -60.1 -46.8 11.7 9.3 42.8 117 193 A L H ><5S+ 0 0 6 -4,-2.9 3,-0.6 3,-0.2 -2,-0.2 0.907 114.7 49.1 -62.6 -46.1 15.0 11.1 42.3 118 194 A S H 3<5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.882 111.8 48.4 -73.3 -35.9 14.6 13.7 45.0 119 195 A E H 3<5S- 0 0 84 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.646 116.2-120.4 -72.0 -16.5 13.7 11.2 47.6 120 196 A R T <<5 + 0 0 58 -4,-0.7 257,-0.2 -3,-0.6 -3,-0.2 0.772 67.3 139.0 85.0 36.4 16.7 9.1 46.4 121 197 A W S > - 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0 0 12 -4,-2.6 2,-0.6 -5,-0.1 -270,-0.2 -0.010 59.9-143.5 -55.4 146.3 20.4 11.7 22.9 409 485 A Y - 0 0 130 -272,-1.6 -269,-0.2 -273,-0.1 -1,-0.1 -0.983 25.5-145.2-108.3 112.7 22.8 13.6 20.6 410 486 A Y - 0 0 35 -2,-0.6 6,-0.1 1,-0.1 -272,-0.0 -0.606 9.6-139.5 -87.2 137.9 25.4 11.0 19.7 411 487 A P S S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -246,-0.1 0.729 92.5 22.7 -70.5 -23.5 29.0 12.1 19.2 412 488 A V S >> S- 0 0 7 -47,-0.1 3,-1.0 -248,-0.0 4,-0.8 -0.973 79.7-126.6-138.5 147.5 29.4 9.8 16.2 413 489 A P H 3> S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.753 106.1 66.4 -74.4 -23.3 26.6 8.4 13.9 414 490 A E H 3> S+ 0 0 46 1,-0.2 -49,-1.8 2,-0.2 4,-1.7 0.767 100.4 53.9 -61.1 -24.6 27.7 4.7 14.4 415 491 A A H <> S+ 0 0 0 -3,-1.0 4,-2.3 -51,-0.2 -1,-0.2 0.842 108.7 47.8 -75.8 -32.8 26.7 5.2 18.1 416 492 A C H X S+ 0 0 40 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.975 111.2 49.3 -73.9 -49.8 23.3 6.4 17.0 417 493 A L H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.898 112.7 50.0 -51.9 -45.9 22.8 3.5 14.6 418 494 A S H X S+ 0 0 2 -4,-1.7 4,-1.9 -53,-0.2 5,-0.4 0.941 113.0 43.0 -59.3 -53.7 23.9 1.1 17.3 419 495 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 -54,-0.2 -2,-0.2 0.913 113.7 51.5 -65.6 -41.6 21.5 2.4 20.0 420 496 A K H < S+ 0 0 93 -4,-2.9 58,-0.4 1,-0.2 -1,-0.2 0.832 111.7 47.9 -66.2 -31.7 18.6 2.7 17.7 421 497 A R H < S+ 0 0 69 -4,-1.8 58,-1.3 -5,-0.3 57,-0.3 0.901 130.0 15.4 -70.8 -45.3 18.9 -0.9 16.4 422 498 A H H < S- 0 0 0 -4,-1.9 98,-2.8 -5,-0.2 99,-0.2 0.623 79.1-150.8-113.0 -17.5 19.3 -2.7 19.7 423 499 A R < + 0 0 5 -4,-2.5 98,-0.2 -5,-0.4 -4,-0.1 0.765 27.3 179.8 48.6 37.3 18.1 -0.3 22.4 424 500 A P - 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