==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-11 3TNZ . COMPND 2 MOLECULE: IODOTYROSINE DEHALOGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.M.BUSS,P.M.MCTAMNEY,S.E.ROKITA . 445 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 0 0 3 1 0 0 2 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 4 0 0 2 0 2 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 . 4 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 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 66 A S 0 0 137 0, 0.0 2,-0.3 0, 0.0 328,-0.1 0.000 360.0 360.0 360.0 -46.4 15.8 7.7 -7.4 2 67 A V - 0 0 47 327,-0.2 2,-0.1 429,-0.0 429,-0.1 -0.898 360.0 -96.3-125.4 161.7 15.1 4.0 -6.8 3 68 A E - 0 0 121 -2,-0.3 427,-3.8 427,-0.2 2,-0.5 -0.406 25.9-138.5 -75.0 146.7 12.0 2.1 -5.7 4 69 A H E -A 429 0A 29 425,-0.3 3,-0.0 -2,-0.1 -1,-0.0 -0.930 26.2-171.1-108.4 133.1 11.1 1.1 -2.2 5 70 A I E -A 428 0A 51 423,-3.1 423,-2.4 -2,-0.5 0, 0.0 -0.799 32.7 -83.4-127.8 157.7 9.7 -2.3 -1.7 6 71 A P E -A 427 0A 108 0, 0.0 2,-0.4 0, 0.0 421,-0.3 -0.362 48.4-123.5 -60.0 137.7 8.1 -4.4 1.1 7 72 A F - 0 0 28 419,-2.1 2,-0.5 417,-0.1 419,-0.1 -0.679 19.9-145.4 -83.6 134.7 10.8 -6.0 3.2 8 73 A S - 0 0 83 -2,-0.4 2,-0.4 245,-0.1 419,-0.0 -0.904 19.3-168.0-108.1 130.2 10.5 -9.7 3.4 9 74 A H - 0 0 51 -2,-0.5 2,-0.6 413,-0.0 245,-0.1 -0.899 22.1-144.3-121.9 141.1 11.5 -11.3 6.7 10 75 A T - 0 0 64 -2,-0.4 2,-0.4 243,-0.1 -2,-0.0 -0.902 28.7-174.9 -98.5 119.6 12.3 -14.7 8.0 11 76 A R - 0 0 110 -2,-0.6 375,-0.1 410,-0.0 376,-0.1 -0.923 10.4-153.7-117.3 141.9 11.0 -15.0 11.6 12 77 A Y - 0 0 35 -2,-0.4 5,-0.1 373,-0.3 -2,-0.0 -0.843 32.5 -96.9-107.9 152.2 11.4 -18.0 14.0 13 78 A P > - 0 0 90 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.332 49.0-105.4 -55.2 155.1 9.2 -19.0 17.0 14 79 A E H > S+ 0 0 81 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.843 117.6 55.0 -61.3 -40.8 10.7 -17.5 20.2 15 80 A Q H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.903 110.1 47.0 -61.9 -39.8 12.1 -20.7 21.5 16 81 A E H > S+ 0 0 80 -3,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.869 108.7 55.2 -70.9 -34.1 14.0 -21.3 18.3 17 82 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.931 108.5 49.6 -59.5 -43.8 15.2 -17.8 18.4 18 83 A R H X S+ 0 0 57 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.943 114.0 43.8 -61.6 -47.1 16.6 -18.5 21.8 19 84 A M H X S+ 0 0 88 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.930 114.0 49.9 -66.3 -44.8 18.3 -21.7 20.6 20 85 A R H X S+ 0 0 60 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.930 111.3 48.8 -55.4 -47.5 19.7 -20.1 17.4 21 86 A S H X S+ 0 0 3 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.894 113.9 47.3 -66.7 -37.3 21.1 -17.1 19.2 22 87 A Q H X S+ 0 0 81 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.945 112.9 46.8 -65.8 -50.7 22.8 -19.4 21.8 23 88 A E H X S+ 0 0 121 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.880 111.7 51.5 -60.2 -40.3 24.2 -21.8 19.2 24 89 A F H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.923 110.3 48.7 -65.2 -43.9 25.5 -18.9 17.1 25 90 A Y H X S+ 0 0 52 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.942 112.1 49.6 -55.8 -46.4 27.2 -17.4 20.2 26 91 A E H X S+ 0 0 93 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.881 111.7 48.9 -65.7 -35.9 28.7 -20.8 21.0 27 92 A L H >< S+ 0 0 30 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.940 114.3 43.2 -66.5 -50.4 30.0 -21.2 17.5 28 93 A L H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.827 105.9 64.2 -64.4 -32.3 31.6 -17.8 17.3 29 94 A N H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 96.5 57.8 -65.6 -24.7 33.0 -18.2 20.8 30 95 A K T << S+ 0 0 92 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.3 0.533 81.0 109.5 -81.3 -6.0 35.1 -21.1 19.5 31 96 A R < + 0 0 18 -3,-1.8 2,-0.3 -4,-0.2 134,-0.1 -0.575 44.6 172.6 -67.3 127.3 36.7 -18.7 16.9 32 97 A R - 0 0 49 -2,-0.3 2,-0.5 134,-0.1 134,-0.5 -0.979 41.7-104.3-130.1 149.6 40.4 -18.1 17.8 33 98 A S B -b 166 0B 24 -2,-0.3 2,-0.5 132,-0.1 134,-0.3 -0.627 41.9-155.6 -70.9 120.1 43.0 -16.3 15.8 34 99 A V + 0 0 0 132,-3.2 171,-0.1 -2,-0.5 3,-0.1 -0.887 23.0 178.8-108.8 125.0 45.2 -19.1 14.5 35 100 A R + 0 0 45 169,-0.5 2,-0.5 -2,-0.5 80,-0.3 0.358 69.6 69.6-105.3 4.0 48.8 -18.5 13.5 36 101 A F + 0 0 88 168,-0.2 164,-2.5 164,-0.1 2,-0.4 -0.940 67.2 177.0-127.7 103.4 49.7 -22.1 12.5 37 102 A I B -C 199 0C 3 -2,-0.5 2,-0.1 162,-0.3 159,-0.1 -0.923 25.0-125.4-120.1 131.2 47.9 -23.0 9.3 38 103 A S - 0 0 29 160,-2.6 160,-0.3 -2,-0.4 162,-0.1 -0.354 12.7-134.1 -65.7 151.1 48.1 -26.1 7.2 39 104 A S + 0 0 92 80,-0.2 -1,-0.1 158,-0.1 3,-0.1 0.447 63.1 133.4 -81.4 -1.6 48.9 -26.1 3.5 40 105 A E - 0 0 77 1,-0.1 158,-0.4 158,-0.1 -2,-0.0 -0.247 64.7-100.5 -56.9 137.3 46.0 -28.4 2.9 41 106 A H - 0 0 120 156,-0.1 -1,-0.1 78,-0.1 156,-0.0 -0.202 33.3-161.2 -56.8 139.7 43.7 -27.5 0.0 42 107 A V - 0 0 1 -3,-0.1 2,-0.1 154,-0.1 -1,-0.0 -0.977 31.8 -98.4-122.8 143.9 40.4 -25.8 0.7 43 108 A P >> - 0 0 1 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.340 21.2-142.9 -63.4 131.5 37.5 -25.8 -1.8 44 109 A M H 3> S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.820 99.8 66.8 -65.8 -28.3 37.4 -22.6 -3.7 45 110 A E H 3> S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 102.4 46.8 -55.4 -41.0 33.6 -22.7 -3.5 46 111 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.925 109.7 52.5 -68.4 -45.2 33.8 -22.2 0.2 47 112 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.914 111.3 48.4 -54.2 -43.2 36.3 -19.3 -0.2 48 113 A E H X S+ 0 0 67 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.915 109.2 51.9 -65.4 -43.8 33.8 -17.7 -2.6 49 114 A N H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.820 109.2 50.0 -61.5 -32.7 30.9 -18.2 -0.2 50 115 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 112.9 46.3 -77.9 -36.3 32.8 -16.5 2.6 51 116 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.938 111.6 51.6 -66.1 -45.2 33.7 -13.6 0.3 52 117 A K H < S+ 0 0 59 -4,-3.5 4,-0.5 1,-0.2 -2,-0.2 0.936 108.9 52.0 -52.5 -44.0 30.1 -13.4 -0.9 53 118 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.929 108.2 50.5 -60.3 -45.5 29.0 -13.4 2.8 54 119 A A H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.891 103.4 60.9 -56.5 -41.2 31.4 -10.4 3.5 55 120 A G T 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.3 379,-0.2 0.572 88.5 71.7 -67.6 -10.6 29.9 -8.6 0.6 56 121 A T T < S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.433 74.6 122.7 -81.9 -1.3 26.4 -8.6 2.2 57 122 A A < - 0 0 6 -3,-1.8 7,-0.1 -4,-0.1 94,-0.1 -0.161 69.3-111.1 -60.0 148.8 27.6 -6.0 4.8 58 123 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 93,-0.2 -0.341 38.7-167.9 -65.9 164.0 25.9 -2.8 5.2 59 124 A S > - 0 0 19 332,-0.1 3,-2.1 5,-0.1 84,-0.1 -0.977 34.1 -78.7-156.7 152.4 27.9 0.2 4.0 60 125 A G G > S- 0 0 7 82,-0.6 3,-0.6 -2,-0.3 82,-0.2 -0.300 112.8 -15.3 -59.6 125.3 27.7 4.0 4.4 61 126 A A G 3 S- 0 0 0 1,-0.2 -1,-0.3 2,-0.1 268,-0.1 0.786 121.1 -69.3 48.4 36.2 25.1 5.3 1.9 62 127 A H G < S+ 0 0 47 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.948 93.0 139.5 49.8 60.9 25.3 1.9 -0.0 63 128 A T < - 0 0 9 -3,-0.6 -2,-0.1 79,-0.2 -1,-0.1 0.596 44.1-153.9-109.8 -13.0 28.8 2.4 -1.3 64 129 A E - 0 0 17 1,-0.2 2,-1.9 -7,-0.1 -5,-0.1 0.853 17.7-174.6 40.0 56.0 30.2 -1.2 -0.9 65 130 A P + 0 0 0 0, 0.0 63,-2.8 0, 0.0 2,-0.4 -0.149 36.8 109.9 -81.9 48.2 33.7 0.2 -0.6 66 131 A W E -D 127 0D 0 -2,-1.9 2,-0.4 61,-0.2 61,-0.2 -0.925 43.0-170.1-128.5 145.5 35.6 -3.1 -0.4 67 132 A T E -D 126 0D 5 59,-2.8 59,-3.4 -2,-0.4 2,-0.7 -0.996 11.2-157.3-128.0 126.9 37.9 -5.2 -2.6 68 133 A F E -De 125 440D 0 371,-3.5 373,-2.6 -2,-0.4 2,-0.7 -0.917 10.6-161.7-102.9 110.6 38.8 -8.8 -1.6 69 134 A V E -De 124 441D 0 55,-2.7 55,-2.7 -2,-0.7 2,-0.4 -0.861 6.9-155.7 -99.1 117.9 42.1 -9.7 -3.2 70 135 A V E -De 123 442D 0 371,-3.5 373,-2.5 -2,-0.7 2,-0.5 -0.817 8.7-169.9-101.1 129.9 42.5 -13.5 -3.3 71 136 A V E +D 122 0D 0 51,-2.7 51,-2.5 -2,-0.4 373,-0.1 -0.956 28.1 144.2-126.3 117.6 46.0 -15.0 -3.5 72 137 A K + 0 0 82 -2,-0.5 -1,-0.1 371,-0.4 372,-0.1 0.547 42.5 109.3-117.1 -24.9 46.6 -18.7 -4.1 73 138 A D > - 0 0 26 370,-0.6 4,-3.3 1,-0.1 5,-0.2 -0.381 62.9-144.6 -61.3 123.0 49.8 -18.5 -6.3 74 139 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.888 98.6 49.4 -59.6 -39.8 52.8 -19.7 -4.3 75 140 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 114.0 45.6 -62.8 -44.9 55.2 -17.2 -5.9 76 141 A M H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 111.9 51.4 -67.0 -45.0 52.9 -14.3 -5.2 77 142 A K H X S+ 0 0 16 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.924 111.0 48.3 -53.5 -48.9 52.2 -15.5 -1.6 78 143 A H H X S+ 0 0 86 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 108.7 53.5 -61.4 -42.4 56.0 -15.7 -0.9 79 144 A K H X S+ 0 0 112 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.912 110.1 48.5 -55.0 -43.8 56.5 -12.2 -2.4 80 145 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 109.2 54.1 -62.1 -43.1 53.8 -11.1 0.0 81 146 A R H X S+ 0 0 43 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.896 107.4 48.9 -56.6 -43.5 55.6 -12.9 2.8 82 147 A E H X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.895 110.0 50.5 -72.9 -36.6 58.9 -11.2 2.2 83 148 A I H X S+ 0 0 15 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.951 114.8 44.0 -62.2 -48.0 57.5 -7.7 2.1 84 149 A I H X S+ 0 0 4 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.940 113.0 48.7 -68.4 -47.7 55.6 -8.3 5.4 85 150 A E H X S+ 0 0 18 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.906 112.3 51.6 -56.8 -42.2 58.5 -9.9 7.2 86 151 A E H X S+ 0 0 88 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.958 115.6 39.1 -59.2 -50.7 60.8 -7.1 6.1 87 152 A E H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.893 114.9 53.2 -68.0 -39.7 58.4 -4.4 7.3 88 153 A E H X S+ 0 0 2 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.829 103.5 57.5 -67.3 -31.0 57.4 -6.2 10.5 89 154 A E H X S+ 0 0 90 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.951 109.2 44.3 -65.1 -45.8 61.1 -6.6 11.4 90 155 A I H X>S+ 0 0 64 -4,-1.5 4,-2.9 1,-0.2 5,-2.1 0.909 112.0 56.4 -62.6 -37.9 61.5 -2.9 11.3 91 156 A N H <>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 6,-0.5 0.923 112.4 38.3 -56.4 -50.3 58.2 -2.7 13.2 92 157 A Y H <5S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 119.6 47.8 -70.1 -43.8 59.4 -4.8 16.1 93 158 A M H <5S- 0 0 129 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.900 139.1 -24.4 -63.2 -40.8 62.9 -3.4 16.2 94 159 A K T <5S+ 0 0 151 -4,-2.9 -3,-0.2 -5,-0.2 3,-0.2 0.658 117.4 65.5-143.6 -44.5 61.9 0.2 16.0 95 160 A R T - 0 0 32 -6,-0.5 4,-2.5 -3,-0.2 5,-0.2 0.095 26.3 -71.4 83.0 159.9 57.9 1.3 20.1 98 163 A K H > S+ 0 0 180 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.845 125.8 54.1 -56.9 -43.0 58.6 -0.4 23.4 99 164 A R H > S+ 0 0 129 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.957 112.1 42.5 -61.3 -54.0 55.1 -0.2 24.8 100 165 A W H > S+ 0 0 34 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.914 114.2 52.8 -58.3 -44.2 53.4 -2.0 21.8 101 166 A V H >X S+ 0 0 30 -4,-2.5 4,-0.8 2,-0.2 3,-0.7 0.951 111.7 45.2 -58.8 -47.9 56.3 -4.5 21.7 102 167 A T H >< S+ 0 0 80 -4,-3.0 3,-1.2 1,-0.2 4,-0.5 0.923 108.8 57.9 -60.1 -42.9 55.7 -5.3 25.4 103 168 A D H 3< S+ 0 0 32 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.777 107.1 48.6 -59.2 -26.9 52.0 -5.4 24.7 104 169 A L H XX>S+ 0 0 2 -4,-1.5 3,-2.0 -3,-0.7 5,-0.7 0.602 83.4 92.1 -88.3 -12.9 52.6 -8.2 22.1 105 170 A K G X<5S+ 0 0 135 -3,-1.2 3,-1.3 -4,-0.8 -1,-0.2 0.859 79.4 60.6 -51.1 -42.3 54.8 -10.4 24.3 106 171 A K G 345S+ 0 0 57 -4,-0.5 -1,-0.3 -3,-0.3 119,-0.2 0.772 104.9 49.6 -58.6 -25.0 51.8 -12.4 25.5 107 172 A L G <45S- 0 0 9 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.598 97.0-138.7 -90.7 -12.6 51.1 -13.5 21.9 108 173 A R T <<5 + 0 0 154 -3,-1.3 2,-0.2 -4,-0.7 -3,-0.1 0.714 47.8 153.4 59.8 21.5 54.6 -14.6 21.1 109 174 A T < + 0 0 20 -5,-0.7 2,-0.2 2,-0.0 -1,-0.2 -0.501 14.3 167.0 -74.2 151.9 54.4 -13.0 17.6 110 175 A N - 0 0 72 2,-0.4 -21,-0.1 -2,-0.2 -22,-0.0 -0.700 52.2 -77.9-143.6-156.0 57.5 -11.8 15.8 111 176 A W S S+ 0 0 80 -2,-0.2 2,-0.5 -23,-0.1 -22,-0.2 0.523 98.5 93.0 -97.1 -2.9 58.4 -10.7 12.3 112 177 A I - 0 0 81 -24,-0.1 -2,-0.4 -23,-0.1 2,-0.3 -0.788 52.3-175.0 -91.9 129.4 58.5 -14.2 10.7 113 178 A K > + 0 0 5 -2,-0.5 3,-2.0 1,-0.1 4,-0.4 -0.624 13.7 168.7-131.8 72.3 55.2 -15.2 9.2 114 179 A E T >> S+ 0 0 122 -2,-0.3 4,-2.4 1,-0.3 3,-1.9 0.799 73.3 70.3 -55.5 -31.3 55.3 -18.8 8.0 115 180 A Y H 3> S+ 0 0 12 -80,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.763 83.2 69.9 -63.2 -22.6 51.6 -18.9 7.5 116 181 A L H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.804 112.2 31.2 -67.5 -24.9 51.9 -16.5 4.6 117 182 A D H <4 S+ 0 0 42 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.847 122.9 45.7 -91.0 -44.5 53.5 -19.4 2.7 118 183 A T H < S+ 0 0 36 -4,-2.4 -3,-0.2 -41,-0.1 -2,-0.2 0.877 88.3 90.3 -76.0 -36.4 51.7 -22.4 4.2 119 184 A A S < S- 0 0 0 -4,-2.1 -80,-0.2 -5,-0.2 78,-0.2 -0.357 74.5-140.3 -61.5 133.0 48.1 -21.1 4.2 120 185 A P S S+ 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.758 83.3 30.8 -69.7 -21.5 46.6 -22.2 0.8 121 186 A V E - 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