==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-09 3GH8 . COMPND 2 MOLECULE: IODOTYROSINE DEHALOGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.R.THOMAS,P.M.MCTAMNEY,J.M.ADLER,N.LARONDE-LEBLANC,S.E.ROKI . 1772 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1249 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 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 . 8 0.5 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 . 137 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 570 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 11 0 4 9 3 0 0 7 1 0 0 2 5 1 4 4 7 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 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 PARALLEL BRIDGES PER LADDER . 22 5 13 0 0 8 0 8 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 . 16 0 0 6 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 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 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -82.9 -24.1 -20.8 113.4 2 67 A V - 0 0 56 426,-0.1 2,-0.1 427,-0.1 428,-0.1 0.829 360.0-123.0 33.6 129.5 -22.7 -21.0 109.8 3 68 A E - 0 0 124 426,-0.2 426,-2.9 425,-0.1 2,-0.5 -0.285 15.0-117.6 -93.6 179.7 -21.6 -24.3 108.2 4 69 A H E -A 428 0A 29 424,-0.3 3,-0.1 -2,-0.1 325,-0.0 -0.906 22.6-167.0-130.9 106.5 -18.3 -25.6 106.6 5 70 A I E -A 427 0A 68 422,-1.0 422,-1.9 -2,-0.5 2,-0.0 -0.382 34.2 -94.3 -87.9 161.5 -17.7 -26.7 103.0 6 71 A P E -A 426 0A 98 0, 0.0 2,-0.5 0, 0.0 420,-0.3 -0.427 40.5-120.6 -67.8 157.4 -14.8 -28.5 101.6 7 72 A F - 0 0 31 418,-2.8 2,-0.4 417,-0.1 249,-0.0 -0.874 21.1-160.0 -94.5 127.4 -12.2 -26.2 100.1 8 73 A S - 0 0 110 -2,-0.5 2,-0.3 2,-0.0 418,-0.0 -0.911 18.7-176.4-102.4 140.8 -11.5 -26.8 96.4 9 74 A H - 0 0 46 -2,-0.4 2,-0.6 412,-0.0 244,-0.0 -0.952 24.4-128.2-139.6 151.3 -8.2 -25.4 95.5 10 75 A T - 0 0 94 -2,-0.3 2,-0.2 242,-0.1 -2,-0.0 -0.947 26.7-168.6-110.9 118.3 -6.2 -25.1 92.2 11 76 A R - 0 0 109 -2,-0.6 374,-0.1 409,-0.0 375,-0.1 -0.649 7.8-154.3 -95.9 153.3 -2.6 -26.4 92.2 12 77 A Y - 0 0 38 -2,-0.2 5,-0.0 372,-0.2 2,-0.0 -0.964 32.0-100.9-121.6 146.8 0.1 -25.9 89.6 13 78 A P >> - 0 0 93 0, 0.0 4,-1.9 0, 0.0 3,-1.5 -0.406 46.6-100.3 -61.4 144.7 3.0 -28.2 89.0 14 79 A E H 3> S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.750 120.5 53.1 -36.8 -42.8 6.2 -26.9 90.7 15 80 A Q H 3> S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.899 109.9 47.3 -64.9 -39.9 7.7 -25.5 87.5 16 81 A E H <> S+ 0 0 94 -3,-1.5 4,-2.6 1,-0.2 5,-0.3 0.949 108.2 57.1 -66.8 -46.1 4.6 -23.5 86.7 17 82 A M H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.851 107.4 48.4 -48.6 -44.7 4.6 -22.2 90.3 18 83 A R H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.958 110.7 49.8 -63.9 -54.2 8.0 -20.8 89.9 19 84 A M H X S+ 0 0 82 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.923 112.0 47.5 -44.6 -54.5 7.2 -19.1 86.7 20 85 A R H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.832 113.8 47.9 -66.7 -31.8 4.2 -17.5 88.0 21 86 A S H X S+ 0 0 5 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.814 112.5 46.7 -81.2 -29.2 6.0 -16.3 91.2 22 87 A Q H X S+ 0 0 59 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 116.5 47.2 -66.4 -44.7 9.1 -14.8 89.3 23 88 A E H X S+ 0 0 110 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.879 110.4 49.3 -70.9 -38.5 6.7 -13.1 86.9 24 89 A F H X S+ 0 0 15 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.927 112.2 50.1 -68.0 -41.2 4.4 -11.7 89.6 25 90 A Y H X S+ 0 0 47 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.935 109.0 51.0 -58.3 -44.7 7.5 -10.5 91.4 26 91 A E H < S+ 0 0 91 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.839 112.6 48.5 -66.1 -29.7 8.8 -8.8 88.2 27 92 A L H >< S+ 0 0 33 -4,-2.0 3,-1.1 -5,-0.2 4,-0.2 0.923 112.6 43.9 -73.4 -46.5 5.4 -7.2 87.8 28 93 A L H >< S+ 0 0 2 -4,-2.7 3,-2.5 1,-0.3 -2,-0.2 0.880 104.3 66.9 -68.4 -35.8 5.0 -5.8 91.3 29 94 A N T 3< S+ 0 0 58 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.663 92.0 60.7 -58.7 -18.9 8.6 -4.7 91.3 30 95 A K T < S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.3 0.580 78.9 110.2 -84.7 -9.0 7.7 -2.1 88.6 31 96 A R < + 0 0 17 -3,-2.5 2,-0.4 -4,-0.2 134,-0.1 -0.506 42.4 169.1 -67.1 127.6 5.2 -0.5 90.9 32 97 A R - 0 0 49 -2,-0.3 134,-0.4 134,-0.1 -2,-0.0 -0.995 42.4-107.4-133.9 132.8 6.5 3.0 92.0 33 98 A S - 0 0 26 -2,-0.4 2,-0.5 132,-0.1 134,-0.3 -0.369 39.0-155.8 -51.7 131.8 4.5 5.6 93.9 34 99 A V - 0 0 0 132,-2.5 171,-0.1 1,-0.1 3,-0.1 -0.973 19.7-174.5-118.7 128.2 3.9 8.3 91.3 35 100 A R S S+ 0 0 49 -2,-0.5 80,-0.4 169,-0.5 2,-0.4 0.144 70.7 68.2-100.4 17.2 3.2 11.8 92.4 36 101 A F - 0 0 87 168,-0.1 164,-2.5 78,-0.1 2,-0.5 -0.901 65.8-176.1-142.4 98.9 2.4 13.3 88.9 37 102 A I B -B 199 0B 2 -2,-0.4 159,-0.1 162,-0.3 164,-0.0 -0.896 24.6-119.9-113.0 125.5 -0.9 12.0 87.3 38 103 A S - 0 0 34 160,-2.7 160,-0.2 -2,-0.5 162,-0.1 -0.067 16.7-131.6 -47.2 152.0 -2.3 12.7 83.9 39 104 A S + 0 0 89 80,-0.1 -1,-0.1 158,-0.1 161,-0.0 0.525 67.4 127.8 -82.4 -4.9 -5.6 14.3 83.7 40 105 A E - 0 0 81 158,-0.1 158,-0.4 1,-0.1 2,-0.1 -0.195 66.8 -97.5 -68.8 144.4 -6.7 11.7 81.2 41 106 A H - 0 0 144 156,-0.1 -1,-0.1 78,-0.1 156,-0.1 -0.298 31.9-152.8 -68.9 132.0 -9.8 9.6 81.7 42 107 A V - 0 0 12 154,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.799 28.4-100.8-100.4 146.4 -9.7 6.2 83.2 43 108 A P >> - 0 0 9 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.442 24.6-142.4 -62.3 126.8 -12.3 3.3 82.5 44 109 A M H 3> S+ 0 0 49 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.797 95.8 64.6 -68.1 -26.7 -14.7 3.1 85.4 45 110 A E H 3> S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 100.4 51.4 -55.3 -48.1 -14.9 -0.7 85.2 46 111 A V H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 5,-0.3 0.961 105.7 52.1 -61.4 -52.3 -11.2 -1.0 86.1 47 112 A I H X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.3 -1,-0.2 0.860 113.5 48.4 -52.2 -37.2 -11.5 1.2 89.2 48 113 A E H X S+ 0 0 73 -4,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.895 108.1 52.3 -66.0 -45.9 -14.4 -1.1 90.2 49 114 A N H X S+ 0 0 14 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.668 110.8 48.4 -68.1 -20.7 -12.4 -4.3 89.5 50 115 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.822 111.3 48.1 -87.1 -37.0 -9.6 -3.1 91.7 51 116 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.922 111.3 52.3 -64.6 -40.9 -11.9 -2.2 94.6 52 117 A K H < S+ 0 0 62 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.971 109.2 50.1 -58.1 -48.2 -13.5 -5.6 94.1 53 118 A A H >< S+ 0 0 0 -4,-1.3 3,-2.6 1,-0.2 -2,-0.2 0.954 108.2 51.9 -49.6 -57.1 -10.0 -7.1 94.4 54 119 A A H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.904 101.1 62.7 -48.7 -45.1 -9.3 -5.1 97.6 55 120 A G T 3< S+ 0 0 8 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.495 88.4 70.6 -62.5 -2.6 -12.6 -6.4 99.1 56 121 A T T < S+ 0 0 1 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.435 73.1 121.3 -92.0 2.3 -11.2 -10.0 98.9 57 122 A A S < S- 0 0 5 -3,-2.1 2,-0.1 -4,-0.2 7,-0.1 -0.246 70.5-111.7 -54.0 151.0 -8.7 -9.3 101.7 58 123 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 93,-0.2 -0.331 38.9-165.4 -69.2 168.6 -9.0 -11.4 104.9 59 124 A S > - 0 0 20 331,-0.1 3,-2.6 5,-0.1 84,-0.1 -0.976 32.4 -77.2-159.4 145.1 -10.2 -9.5 108.0 60 125 A G G > S- 0 0 9 82,-0.4 3,-0.6 83,-0.4 4,-0.2 -0.078 113.2 -17.1 -43.1 136.0 -10.2 -10.1 111.8 61 126 A A G 3 S- 0 0 4 1,-0.2 -1,-0.3 2,-0.1 82,-0.0 0.733 120.5 -69.0 28.2 40.3 -13.1 -12.5 112.5 62 127 A H G < S+ 0 0 50 -3,-2.6 -1,-0.2 1,-0.1 -2,-0.1 0.962 93.1 135.9 54.8 65.9 -14.6 -11.8 109.1 63 128 A T < - 0 0 10 -3,-0.6 3,-0.1 79,-0.1 -2,-0.1 0.599 48.9-149.3-122.1 -20.5 -15.8 -8.2 109.6 64 129 A E - 0 0 17 -4,-0.2 2,-1.9 1,-0.2 -5,-0.1 0.944 17.9-169.1 51.2 57.5 -14.6 -6.6 106.4 65 130 A P + 0 0 0 0, 0.0 63,-3.4 0, 0.0 2,-0.4 -0.101 40.6 108.1 -80.7 41.5 -14.0 -3.2 108.2 66 131 A W E -C 127 0C 1 -2,-1.9 2,-0.4 61,-0.2 61,-0.2 -0.955 43.4-171.5-137.0 136.3 -13.6 -1.1 105.1 67 132 A T E -C 126 0C 6 59,-2.9 59,-3.1 -2,-0.4 2,-0.6 -0.984 11.7-156.9-121.7 131.8 -15.1 1.6 103.0 68 133 A F E -Cd 125 439C 0 370,-3.1 372,-1.9 -2,-0.4 2,-0.6 -0.920 9.3-163.8-105.4 115.9 -13.7 2.8 99.6 69 134 A V E -Cd 124 440C 0 55,-2.4 55,-3.3 -2,-0.6 2,-0.5 -0.910 4.9-159.9-105.4 120.8 -14.9 6.3 98.7 70 135 A V E -Cd 123 441C 1 370,-2.2 372,-1.9 -2,-0.6 2,-0.6 -0.887 8.2-174.3-105.1 119.6 -14.4 7.2 95.1 71 136 A V E +C 122 0C 0 51,-1.8 51,-2.4 -2,-0.5 370,-0.1 -0.948 26.7 144.3-119.9 115.4 -14.3 10.8 94.0 72 137 A K + 0 0 93 -2,-0.6 -1,-0.1 370,-0.5 51,-0.0 0.423 37.6 117.8-117.1 -2.9 -14.1 11.9 90.4 73 138 A D >> - 0 0 65 369,-0.8 4,-2.8 1,-0.2 3,-0.6 -0.474 62.7-141.6 -64.8 116.1 -16.3 15.0 90.7 74 139 A P H 3> S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 98.7 48.0 -54.1 -32.4 -13.9 17.9 89.7 75 140 A D H 3> S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.833 111.8 44.8 -80.5 -33.0 -15.5 20.1 92.4 76 141 A M H <> S+ 0 0 36 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.855 112.2 55.8 -71.1 -34.4 -15.5 17.7 95.3 77 142 A K H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 3,-0.2 0.911 106.9 49.9 -64.2 -38.0 -11.9 16.8 94.3 78 143 A H H X S+ 0 0 74 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.936 106.0 54.3 -66.4 -41.8 -11.0 20.5 94.6 79 144 A K H X S+ 0 0 105 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.765 108.5 50.4 -60.2 -30.6 -12.6 20.8 98.0 80 145 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.2 0.917 106.4 55.3 -70.1 -45.5 -10.4 17.9 99.2 81 146 A R H X S+ 0 0 38 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.901 105.9 52.4 -55.9 -47.0 -7.3 19.6 97.8 82 147 A E H X S+ 0 0 109 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.899 109.3 48.1 -51.7 -45.7 -8.1 22.7 99.8 83 148 A I H X S+ 0 0 14 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.914 114.1 46.7 -68.9 -37.3 -8.4 20.8 103.1 84 149 A I H X S+ 0 0 4 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.943 111.1 47.8 -75.4 -46.7 -5.2 18.9 102.6 85 150 A E H X S+ 0 0 34 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 111.0 53.4 -55.2 -46.6 -2.9 21.8 101.5 86 151 A E H X S+ 0 0 111 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.939 118.0 36.6 -54.9 -46.4 -4.1 23.9 104.4 87 152 A E H X S+ 0 0 16 -4,-1.7 4,-2.2 -5,-0.2 3,-0.3 0.901 114.9 52.6 -73.2 -43.1 -3.2 21.1 106.7 88 153 A E H X S+ 0 0 2 -4,-3.9 4,-2.9 1,-0.3 5,-0.2 0.905 104.9 57.3 -64.8 -37.5 -0.1 19.9 105.1 89 154 A E H X S+ 0 0 73 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.3 0.860 108.3 45.7 -61.8 -36.6 1.3 23.3 105.1 90 155 A I H X>S+ 0 0 43 -4,-1.0 4,-2.3 -3,-0.3 5,-1.4 0.859 110.5 55.5 -71.3 -35.8 0.9 23.5 108.9 91 156 A N H <>S+ 0 0 0 -4,-2.2 5,-2.9 4,-0.2 6,-0.5 0.914 113.2 40.9 -60.3 -49.5 2.5 20.0 109.1 92 157 A Y H <5S+ 0 0 38 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.943 115.3 48.1 -60.9 -56.1 5.6 21.1 107.1 93 158 A M H <5S- 0 0 121 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.907 141.9 -33.5 -60.9 -31.1 6.0 24.5 108.8 94 159 A K T ><5S+ 0 0 153 -4,-2.3 3,-1.5 -5,-0.2 -3,-0.2 0.508 115.2 75.0-147.5 -63.2 5.6 22.9 112.3 95 160 A R T 3 - 0 0 32 -3,-1.5 4,-1.6 -6,-0.5 5,-0.2 0.024 22.9 -79.1 93.9 154.2 8.7 18.3 113.5 98 163 A K H > S+ 0 0 189 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 125.8 55.6 -52.3 -50.9 12.2 19.1 112.2 99 164 A R H > S+ 0 0 171 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 108.1 47.6 -55.2 -46.0 13.3 15.4 112.1 100 165 A W H > S+ 0 0 34 -4,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.844 112.3 47.8 -63.4 -38.1 10.4 14.3 109.9 101 166 A V H X S+ 0 0 29 -4,-1.6 4,-1.7 -3,-0.2 -1,-0.2 0.898 111.3 51.9 -75.2 -36.5 10.8 17.1 107.4 102 167 A T H < S+ 0 0 91 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.884 108.9 50.4 -53.3 -43.1 14.5 16.4 107.2 103 168 A D H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 111.4 50.5 -77.2 -22.1 13.8 12.8 106.6 104 169 A L H >< S+ 0 0 2 -4,-1.0 3,-2.4 -5,-0.2 4,-0.4 0.811 84.0 91.8 -83.9 -28.6 11.4 13.8 103.8 105 170 A K G >< S+ 0 0 146 -4,-1.7 3,-3.2 1,-0.3 4,-0.2 0.759 76.2 60.9 -32.6 -58.8 13.8 16.2 102.0 106 171 A K G 3 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.677 99.9 56.8 -50.1 -23.7 15.3 13.6 99.5 107 172 A L G < S- 0 0 10 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.587 101.6-135.6 -90.3 -10.1 11.8 13.0 98.0 108 173 A R < + 0 0 158 -3,-3.2 2,-0.3 -4,-0.4 -2,-0.1 0.889 47.0 159.9 63.9 45.2 11.4 16.7 97.2 109 174 A T + 0 0 22 -5,-0.4 -1,-0.2 -4,-0.2 2,-0.2 -0.779 14.6 174.1-106.5 138.7 8.0 16.7 98.5 110 175 A N - 0 0 76 2,-0.4 -21,-0.0 -2,-0.3 -22,-0.0 -0.634 48.6 -88.8-130.6-166.4 5.9 19.7 99.7 111 176 A W S S+ 0 0 98 -2,-0.2 2,-0.4 1662,-0.1 -22,-0.2 0.629 96.3 97.9 -82.3 -10.0 2.4 20.8 100.8 112 177 A I - 0 0 79 -24,-0.1 -2,-0.4 1,-0.1 2,-0.1 -0.643 51.6-177.1 -81.0 130.0 1.4 21.4 97.2 113 178 A K > + 0 0 7 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.546 11.8 172.1-129.5 67.0 -0.5 18.6 95.8 114 179 A E T >> S+ 0 0 133 1,-0.2 3,-2.4 -2,-0.1 4,-0.8 0.882 72.7 67.9 -36.4 -50.0 -1.3 19.2 92.1 115 180 A Y H 3> S+ 0 0 12 -80,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.660 79.8 72.8 -55.0 -23.8 -2.7 15.6 91.7 116 181 A L H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.2 -35,-0.2 0.699 112.4 33.1 -67.1 -13.7 -5.8 15.9 93.9 117 182 A D H <4 S+ 0 0 48 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.635 123.4 43.3-108.5 -26.0 -7.1 18.0 91.0 118 183 A T H < S+ 0 0 31 -4,-0.8 -2,-0.2 -41,-0.1 -3,-0.2 0.865 88.0 92.4 -95.0 -43.4 -5.5 16.3 88.0 119 184 A A S < S- 0 0 0 -4,-2.3 78,-0.2 1,-0.1 -80,-0.1 -0.325 73.7-139.3 -50.5 125.4 -6.0 12.7 88.9 120 185 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.740 84.6 20.9 -64.9 -27.2 -9.4 11.5 87.3 121 186 A V E - 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