==== 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 LIGASE 05-OCT-03 1O5T . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YU,Y.LIU,N.SHEN,X.XU,J.JIA,Y.JIN,E.ARNOLD,J.DING . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.9 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 . 0 0.0 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 2 1 2 1 2 0 2 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 94 A S 0 0 165 0, 0.0 2,-0.1 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 140.4 -8.0 -5.0 -128.1 2 95 A A - 0 0 27 1,-0.1 3,-0.1 3,-0.0 299,-0.0 -0.271 360.0-114.6 -85.1 175.0 -5.1 -7.3 -127.1 3 96 A K + 0 0 198 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.986 65.5 126.5 -75.4 -65.4 -2.3 -8.6 -129.3 4 97 A G - 0 0 37 2,-0.0 2,-0.2 249,-0.0 -1,-0.1 -0.197 69.9 -9.4 49.3-108.8 -2.9 -12.4 -129.3 5 98 A I - 0 0 71 -2,-0.2 2,-0.4 297,-0.2 249,-0.0 -0.774 48.4-145.9-123.8 167.2 -3.1 -13.6 -133.0 6 99 A D + 0 0 91 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.956 21.7 163.1-135.9 114.9 -3.3 -12.3 -136.6 7 100 A Y > + 0 0 33 -2,-0.4 4,-1.1 2,-0.1 3,-0.2 0.537 69.4 69.7-107.8 -11.0 -5.3 -14.1 -139.2 8 101 A D T 4 S+ 0 0 101 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.717 96.0 56.9 -78.9 -19.6 -5.7 -11.4 -141.9 9 102 A K T > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.705 103.9 53.1 -81.5 -22.0 -1.9 -11.7 -142.6 10 103 A L H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 6,-0.4 0.829 94.8 66.6 -80.4 -35.0 -2.3 -15.4 -143.3 11 104 A I H < S+ 0 0 24 -4,-1.1 -1,-0.2 2,-0.2 4,-0.2 0.810 109.7 42.8 -54.4 -27.5 -5.1 -14.8 -145.9 12 105 A V H >4 S+ 0 0 109 -4,-0.4 3,-2.8 2,-0.2 -2,-0.2 0.965 109.9 51.3 -78.7 -72.3 -2.2 -13.2 -147.8 13 106 A R H 3< S+ 0 0 190 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.803 119.1 37.7 -31.9 -53.5 0.6 -15.6 -147.2 14 107 A F T 3< S- 0 0 35 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.528 102.3-130.0 -83.8 -6.8 -1.5 -18.6 -148.4 15 108 A G < + 0 0 55 -3,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.563 59.9 140.0 69.9 7.3 -3.3 -16.7 -151.1 16 109 A S - 0 0 12 -6,-0.4 2,-0.4 -5,-0.1 32,-0.2 -0.037 54.2-106.4 -71.3-177.6 -6.7 -17.9 -149.9 17 110 A S E -A 47 0A 47 30,-2.2 30,-2.3 -3,-0.1 -1,-0.1 -0.961 27.7-119.9-119.8 131.7 -9.8 -15.8 -149.7 18 111 A K E -A 46 0A 95 -2,-0.4 2,-1.0 28,-0.2 28,-0.3 -0.309 21.3-120.3 -68.1 146.9 -11.3 -14.3 -146.5 19 112 A I - 0 0 8 26,-4.0 -1,-0.1 4,-0.1 2,-0.1 -0.786 40.0-172.5 -90.0 101.6 -14.9 -15.2 -145.4 20 113 A D > - 0 0 64 -2,-1.0 4,-2.3 1,-0.1 5,-0.1 -0.317 39.5 -99.2 -88.4 174.7 -16.7 -11.8 -145.3 21 114 A K H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.850 120.9 61.2 -63.0 -35.1 -20.1 -10.9 -144.0 22 115 A E H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.949 109.1 42.3 -55.0 -51.5 -21.5 -10.9 -147.6 23 116 A L H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.919 111.4 54.8 -60.9 -47.6 -20.5 -14.6 -147.9 24 117 A I H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.899 111.0 45.2 -55.5 -42.5 -21.8 -15.4 -144.4 25 118 A N H X S+ 0 0 75 -4,-2.8 4,-3.8 2,-0.2 -1,-0.2 0.906 109.4 58.3 -67.4 -39.1 -25.2 -14.0 -145.3 26 119 A R H X S+ 0 0 51 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.940 107.4 44.6 -54.2 -52.8 -25.0 -15.9 -148.6 27 120 A I H X S+ 0 0 5 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.960 115.5 47.6 -55.9 -54.0 -24.6 -19.3 -146.8 28 121 A E H X>S+ 0 0 77 -4,-2.1 4,-2.2 1,-0.2 5,-0.9 0.920 111.4 53.0 -51.6 -47.9 -27.4 -18.4 -144.4 29 122 A R H <5S+ 0 0 159 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.7 36.2 -52.5 -55.8 -29.5 -17.2 -147.4 30 123 A A H <5S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.764 118.3 51.3 -71.6 -28.8 -29.0 -20.5 -149.3 31 124 A T H <5S- 0 0 15 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.732 93.3-139.2 -82.5 -25.5 -29.1 -22.7 -146.2 32 125 A G T <5S+ 0 0 63 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.862 70.8 87.8 67.2 33.6 -32.3 -21.3 -144.7 33 126 A Q S > - 0 0 20 1,-0.1 4,-2.2 50,-0.1 3,-1.4 -0.212 29.1-116.3 -59.1 146.6 -22.8 -21.5 -136.9 37 130 A H H 3> S+ 0 0 7 1,-0.3 4,-3.8 2,-0.2 6,-0.4 0.799 113.5 69.4 -57.7 -27.2 -21.0 -19.4 -134.3 38 131 A F H 34>S+ 0 0 0 2,-0.2 5,-2.6 1,-0.2 6,-1.7 0.905 108.8 37.3 -57.5 -37.8 -17.7 -20.6 -135.8 39 132 A L H X45S+ 0 0 5 -3,-1.4 3,-2.2 3,-0.2 -2,-0.2 0.973 117.4 49.1 -74.9 -56.3 -18.6 -18.5 -138.8 40 133 A R H 3<5S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.866 116.8 43.2 -51.3 -42.0 -20.2 -15.6 -136.8 41 134 A R T 3<5S- 0 0 50 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.296 114.8-112.4 -91.4 10.9 -17.2 -15.4 -134.5 42 135 A G T < 5S+ 0 0 33 -3,-2.2 3,-0.5 2,-0.2 -3,-0.2 0.741 76.7 131.0 68.7 22.7 -14.6 -15.7 -137.2 43 136 A I S S+ 0 0 32 -2,-0.3 4,-1.7 191,-0.2 3,-0.3 0.783 79.8 136.7 56.1 33.6 -14.2 -21.8 -153.9 50 143 A M H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.802 71.9 66.3 -72.3 -26.1 -17.0 -22.0 -151.3 51 144 A N H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.845 102.5 45.8 -58.3 -34.5 -18.5 -19.6 -153.8 52 145 A Q H > S+ 0 0 72 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.897 107.6 53.3 -75.9 -46.0 -18.5 -22.6 -156.2 53 146 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.895 117.4 42.5 -56.0 -38.6 -19.9 -25.1 -153.7 54 147 A L H X>S+ 0 0 0 -4,-2.5 4,-3.8 2,-0.2 5,-0.6 0.964 106.2 57.4 -72.4 -55.0 -22.7 -22.5 -153.3 55 148 A D H X5S+ 0 0 74 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.898 113.2 45.9 -41.6 -45.5 -23.2 -21.6 -156.9 56 149 A A H <>S+ 0 0 16 -4,-2.5 5,-1.5 2,-0.2 -1,-0.2 0.973 116.9 41.9 -61.6 -57.0 -23.8 -25.3 -157.3 57 150 A Y H ><5S+ 0 0 22 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.886 114.8 48.9 -58.6 -47.1 -26.2 -25.6 -154.3 58 151 A E H 3<5S+ 0 0 79 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.5 55.1 -64.0 -29.4 -28.1 -22.3 -155.0 59 152 A N T 3<> -G 267 0B 7 190,-0.3 3,-1.7 191,-0.1 4,-0.5 -0.728 34.9 -87.9-127.3 178.0 -8.9 -33.9 -127.2 78 171 A V H >> S+ 0 0 0 188,-2.4 3,-1.3 1,-0.3 4,-0.6 0.814 120.3 57.5 -48.6 -42.7 -11.2 -30.9 -127.2 79 172 A G H 34 S+ 0 0 10 1,-0.3 3,-0.5 187,-0.2 -1,-0.3 0.739 96.8 64.4 -65.6 -23.0 -9.4 -29.2 -130.1 80 173 A H H <> S+ 0 0 62 -3,-1.7 4,-0.7 1,-0.2 -1,-0.3 0.700 93.2 62.8 -73.0 -20.3 -10.1 -32.2 -132.3 81 174 A L H S+ 0 0 41 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.894 118.8 47.3 -67.6 -36.2 -13.7 -29.7 -137.4 84 177 A F H X S+ 0 0 12 -4,-0.7 4,-3.1 2,-0.2 5,-0.3 0.948 111.1 50.8 -67.5 -47.5 -16.2 -32.5 -136.6 85 178 A I H X S+ 0 0 46 -4,-3.6 4,-2.0 2,-0.2 -1,-0.2 0.963 115.6 43.5 -52.2 -54.6 -18.6 -30.1 -134.8 86 179 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.945 113.7 48.9 -57.1 -54.9 -18.4 -27.8 -137.8 87 180 A T H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.862 107.8 55.3 -55.3 -40.1 -18.7 -30.5 -140.5 88 181 A K H X S+ 0 0 49 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.3 0.942 111.0 46.1 -60.2 -42.4 -21.7 -32.0 -138.6 89 182 A W H X S+ 0 0 31 -4,-2.0 4,-3.4 -5,-0.3 5,-0.3 0.968 110.7 50.1 -62.8 -53.2 -23.3 -28.6 -138.9 90 183 A L H X S+ 0 0 2 -4,-3.0 4,-0.8 1,-0.2 5,-0.2 0.907 112.9 50.6 -51.8 -40.2 -22.4 -28.2 -142.6 91 184 A Q H >X>S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 3,-1.1 0.984 113.7 42.2 -60.8 -57.9 -23.9 -31.6 -143.0 92 185 A D H 3<5S+ 0 0 66 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.0 50.0 -58.7 -41.1 -27.1 -30.8 -141.2 93 186 A V H 3<5S+ 0 0 7 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.548 125.9 26.6 -78.9 -5.2 -27.7 -27.4 -142.7 94 187 A F H <<5S- 0 0 2 -3,-1.1 -2,-0.2 -4,-0.8 282,-0.2 0.489 95.4-132.0-128.3 -14.2 -27.2 -28.6 -146.3 95 188 A N T <5 + 0 0 53 -4,-2.5 281,-2.4 -5,-0.2 -3,-0.2 0.983 52.9 149.6 52.7 64.8 -28.2 -32.2 -146.0 96 189 A V < - 0 0 1 -5,-0.7 -1,-0.2 279,-0.2 -32,-0.1 -0.971 49.9-102.2-127.4 142.2 -25.1 -33.5 -147.9 97 190 A P - 0 0 3 0, 0.0 -32,-2.4 0, 0.0 2,-0.4 -0.229 31.5-146.8 -63.1 152.2 -23.3 -36.8 -147.5 98 191 A L E -de 65 139A 2 40,-2.6 42,-2.9 -34,-0.2 2,-0.4 -0.988 6.4-160.6-128.4 126.1 -20.0 -37.0 -145.5 99 192 A V E -de 66 140A 3 -34,-2.7 -32,-2.1 -2,-0.4 2,-0.5 -0.877 8.8-168.0-105.2 131.3 -17.1 -39.3 -146.2 100 193 A I E -de 67 141A 0 40,-2.9 42,-1.9 -2,-0.4 2,-0.5 -0.951 8.6-149.4-128.6 115.4 -14.6 -39.8 -143.4 101 194 A Q E -de 68 142A 0 -34,-2.0 -32,-3.5 -2,-0.5 2,-0.9 -0.693 4.9-161.8 -89.9 122.9 -11.2 -41.5 -144.0 102 195 A M E -de 69 143A 1 40,-3.4 2,-2.3 -2,-0.5 42,-1.9 -0.876 13.4-152.8 -99.5 104.6 -9.6 -43.5 -141.3 103 196 A T > + 0 0 4 -34,-1.3 4,-1.5 -2,-0.9 5,-0.2 -0.348 36.6 152.3 -78.3 63.6 -6.0 -43.7 -142.4 104 197 A D H > S+ 0 0 0 -2,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.844 75.6 54.5 -60.1 -29.5 -5.1 -47.0 -140.7 105 198 A D H > S+ 0 0 20 -3,-0.3 4,-2.2 1,-0.2 3,-0.3 0.928 101.0 56.7 -70.3 -42.9 -2.6 -47.5 -143.5 106 199 A E H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 110.5 46.3 -53.9 -37.0 -0.9 -44.2 -142.8 107 200 A K H X S+ 0 0 26 -4,-1.5 4,-2.5 2,-0.2 6,-0.4 0.775 106.8 54.7 -79.8 -27.1 -0.3 -45.3 -139.3 108 201 A Y H < S+ 0 0 105 -4,-1.3 5,-0.3 -3,-0.3 -1,-0.2 0.887 114.0 44.8 -69.2 -38.0 1.0 -48.8 -140.1 109 202 A L H < S+ 0 0 47 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.859 124.1 32.0 -70.9 -40.9 3.5 -47.0 -142.3 110 203 A W H < S+ 0 0 97 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.829 116.2 51.8 -90.1 -37.1 4.5 -44.3 -139.8 111 204 A K S < S- 0 0 122 -4,-2.5 2,-0.9 -5,-0.2 7,-0.0 -0.442 89.2-107.6 -96.8 172.9 4.1 -46.0 -136.4 112 205 A D S S+ 0 0 164 -2,-0.1 2,-0.2 0, 0.0 -4,-0.1 -0.472 73.7 132.1 -97.4 60.4 5.5 -49.3 -135.2 113 206 A L - 0 0 31 -2,-0.9 2,-0.1 -6,-0.4 -2,-0.0 -0.676 59.3-113.5-109.3 165.0 2.2 -51.0 -135.3 114 207 A T > - 0 0 67 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.391 36.8-107.6 -85.5 169.9 1.0 -54.3 -136.7 115 208 A L H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.842 123.1 46.1 -71.0 -29.0 -1.4 -54.2 -139.6 116 209 A D H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.775 105.7 58.4 -81.9 -29.5 -4.2 -55.4 -137.3 117 210 A Q H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.902 107.6 49.3 -65.4 -40.8 -3.3 -52.9 -134.6 118 211 A A H >X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 3,-0.6 0.968 111.7 44.9 -64.1 -54.9 -3.8 -50.1 -137.1 119 212 A Y H 3X S+ 0 0 77 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.890 111.4 57.8 -56.0 -37.2 -7.2 -51.3 -138.3 120 213 A S H 3X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.858 106.8 45.3 -62.3 -37.5 -8.0 -51.8 -134.7 121 214 A Y H X S+ 0 0 56 -4,-1.8 4,-1.2 1,-0.3 3,-0.8 0.902 112.4 48.8 -54.8 -43.5 -11.7 -47.2 -131.8 125 218 A N H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.3 0.868 102.0 63.4 -65.2 -34.2 -11.4 -43.7 -133.3 126 219 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.774 99.2 55.8 -61.5 -24.9 -14.6 -44.4 -135.3 127 220 A K H < S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 5,-0.3 0.891 111.7 53.1 -66.2 -38.2 -16.2 -39.5 -134.2 130 223 A I H >< S+ 0 0 15 -4,-1.9 3,-2.1 1,-0.3 4,-0.3 0.833 99.3 64.9 -65.1 -29.4 -19.6 -41.3 -134.2 131 224 A A H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.797 86.8 69.6 -62.1 -27.7 -20.1 -40.0 -130.7 132 225 A C T << S- 0 0 21 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.547 116.1-119.2 -67.0 -6.0 -20.2 -36.5 -132.2 133 226 A G < - 0 0 16 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.950 41.8-179.2 69.9 56.9 -23.5 -37.7 -133.7 134 227 A F - 0 0 9 -4,-0.3 2,-0.8 -5,-0.3 -1,-0.2 -0.640 43.2 -96.7 -85.6 144.4 -23.2 -37.6 -137.5 135 228 A D > - 0 0 56 -2,-0.3 3,-2.3 1,-0.2 4,-0.3 -0.471 31.2-155.5 -65.7 104.4 -26.3 -38.7 -139.4 136 229 A I G > S+ 0 0 37 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.720 88.9 67.5 -52.0 -27.2 -25.6 -42.4 -140.2 137 230 A N G 3 S+ 0 0 96 1,-0.2 237,-0.8 236,-0.1 -1,-0.3 0.388 117.2 24.1 -77.8 6.1 -28.0 -42.3 -143.2 138 231 A K G < S+ 0 0 2 -3,-2.3 -40,-2.6 235,-0.2 2,-0.4 0.211 103.6 86.7-154.3 20.2 -25.6 -39.9 -144.9 139 232 A T E < -e 98 0A 0 -3,-0.6 2,-0.6 -4,-0.3 -40,-0.2 -0.990 50.0-165.5-130.2 125.8 -22.1 -40.5 -143.4 140 233 A F E -e 99 0A 2 -42,-2.9 -40,-2.9 -2,-0.4 2,-0.7 -0.949 4.3-169.1-113.5 116.2 -19.6 -43.1 -144.7 141 234 A I E -e 100 0A 0 226,-2.4 2,-0.3 -2,-0.6 -40,-0.2 -0.902 16.8-170.8-108.1 109.5 -16.7 -43.9 -142.4 142 235 A F E -e 101 0A 1 -42,-1.9 -40,-3.4 -2,-0.7 2,-0.5 -0.767 27.2-139.4-116.0 151.0 -14.0 -46.0 -144.1 143 236 A S E >> -e 102 0A 5 -2,-0.3 4,-3.5 225,-0.2 3,-0.5 -0.814 17.1-146.9 -93.2 127.8 -10.8 -47.9 -143.3 144 237 A D H 3> S+ 0 0 2 -42,-1.9 4,-1.9 -2,-0.5 5,-0.2 0.971 100.4 51.8 -60.3 -53.7 -8.2 -47.4 -146.0 145 238 A L H 34 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.676 120.9 37.3 -57.0 -16.3 -6.8 -50.9 -145.6 146 239 A D H <4 S+ 0 0 60 -3,-0.5 3,-0.3 2,-0.1 -2,-0.2 0.843 115.1 45.5-103.7 -47.5 -10.4 -52.1 -146.0 147 240 A Y H >< S+ 0 0 4 -4,-3.5 3,-1.1 1,-0.2 7,-0.2 0.645 98.0 73.2 -75.6 -16.6 -12.1 -50.0 -148.5 148 241 A M G >< S+ 0 0 50 -4,-1.9 3,-0.5 -5,-0.3 7,-0.4 0.952 99.9 44.7 -62.3 -48.6 -9.3 -50.1 -151.0 149 242 A G G 3 S+ 0 0 78 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.243 112.9 52.5 -81.0 13.0 -10.0 -53.7 -151.9 150 243 A M G < S+ 0 0 84 -3,-1.1 2,-0.3 0, 0.0 -1,-0.2 -0.317 92.4 77.6-144.7 55.3 -13.8 -53.2 -152.2 151 244 A S < - 0 0 27 -3,-0.5 4,-0.3 50,-0.1 49,-0.1 -0.936 56.5-153.0-161.8 139.3 -14.2 -50.3 -154.6 152 245 A S S S+ 0 0 87 -2,-0.3 48,-0.1 1,-0.1 -4,-0.1 0.137 97.6 39.1-101.6 18.1 -14.1 -50.0 -158.3 153 246 A G S > S+ 0 0 9 46,-0.3 4,-1.7 -5,-0.1 5,-0.2 0.623 95.3 70.6-132.9 -35.2 -13.1 -46.3 -158.1 154 247 A F H >> S+ 0 0 0 45,-0.5 4,-2.4 2,-0.2 3,-0.8 0.958 103.1 40.1 -53.1 -66.4 -10.7 -45.6 -155.2 155 248 A Y H 3> S+ 0 0 134 -7,-0.4 4,-3.1 -4,-0.3 5,-0.3 0.900 110.8 59.1 -53.5 -44.8 -7.5 -47.2 -156.5 156 249 A K H 3> S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.869 109.9 44.6 -55.2 -35.4 -8.1 -46.0 -160.0 157 250 A N H < S+ 0 0 1 -4,-2.9 3,-1.5 1,-0.2 4,-0.4 0.948 110.0 60.5 -66.1 -47.3 -3.3 -38.9 -158.9 162 255 A Q H >< S+ 0 0 77 -4,-3.5 3,-0.6 -5,-0.3 -1,-0.2 0.788 102.6 51.8 -49.6 -34.9 -0.1 -40.9 -158.4 163 256 A K H 3< S+ 0 0 177 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.760 109.3 50.0 -76.1 -24.6 1.0 -40.3 -162.0 164 257 A H T << S+ 0 0 55 -3,-1.5 2,-0.5 -4,-0.8 -1,-0.2 0.295 96.8 73.1 -99.8 9.5 0.5 -36.5 -161.7 165 258 A V S < S- 0 0 23 -3,-0.6 -1,-0.1 -4,-0.4 24,-0.1 -0.940 71.1-152.4-126.2 107.9 2.5 -35.9 -158.6 166 259 A T > - 0 0 72 -2,-0.5 4,-1.4 1,-0.1 5,-0.2 -0.213 25.8-113.1 -73.6 170.1 6.3 -36.1 -158.9 167 260 A F H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 9,-0.2 0.862 114.9 56.3 -72.2 -36.1 8.6 -37.1 -156.1 168 261 A N H > S+ 0 0 112 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.942 104.1 55.5 -60.1 -46.8 10.2 -33.6 -156.0 169 262 A Q H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 112.0 39.7 -50.5 -57.1 6.8 -32.0 -155.4 170 263 A V H X>S+ 0 0 5 -4,-1.4 4,-3.3 2,-0.2 5,-0.9 0.781 112.6 57.4 -67.5 -27.1 5.9 -34.1 -152.4 171 264 A K H X5S+ 0 0 75 -4,-1.9 4,-2.1 4,-0.2 -2,-0.2 0.982 110.7 44.0 -62.3 -54.5 9.4 -33.8 -151.1 172 265 A G H <5S+ 0 0 72 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.770 123.0 37.9 -59.2 -30.5 9.0 -30.1 -151.2 173 266 A I H <5S+ 0 0 47 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.905 134.0 17.2 -90.0 -49.1 5.5 -30.3 -149.7 174 267 A F H <5S- 0 0 57 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.583 97.9-124.4-100.2 -15.0 5.7 -33.1 -147.0 175 268 A G << - 0 0 59 -4,-2.1 2,-0.5 -5,-0.9 -4,-0.2 0.985 35.7-173.4 69.1 60.1 9.5 -33.2 -146.8 176 269 A F - 0 0 17 -6,-0.2 -1,-0.2 -9,-0.2 -2,-0.0 -0.785 9.6-149.6 -91.7 124.1 10.1 -36.9 -147.5 177 270 A T > - 0 0 76 -2,-0.5 3,-0.8 1,-0.1 8,-0.1 -0.215 27.0-111.4 -79.9 174.9 13.7 -38.1 -147.1 178 271 A D T 3 S+ 0 0 135 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 0.488 114.0 69.8 -87.3 -2.5 15.2 -40.9 -149.2 179 272 A S T 3 S+ 0 0 108 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.439 79.8 106.4 -89.2 -3.3 15.3 -43.1 -146.1 180 273 A D S < S- 0 0 33 -3,-0.8 -4,-0.0 1,-0.1 0, 0.0 -0.557 79.1-109.7 -81.6 140.7 11.5 -43.3 -146.2 181 274 A C > - 0 0 60 -2,-0.2 4,-1.5 -72,-0.2 3,-0.2 -0.255 29.4-113.3 -63.2 154.7 9.7 -46.4 -147.3 182 275 A I H > S+ 0 0 147 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.733 113.3 71.8 -63.4 -18.7 8.0 -46.2 -150.6 183 276 A G H >> S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.985 99.2 41.2 -58.7 -61.6 4.8 -46.5 -148.7 184 277 A K H 34 S+ 0 0 41 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.926 110.3 59.1 -51.9 -49.5 5.0 -43.0 -147.2 185 278 A I H 3< S+ 0 0 45 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.6 38.6 -51.4 -38.6 6.1 -41.5 -150.4 186 279 A S H X< S+ 0 0 50 -4,-1.6 3,-2.2 -3,-0.6 4,-0.5 0.754 92.6 90.3 -85.5 -25.0 3.0 -42.7 -152.3 187 280 A F T >X + 0 0 4 -4,-1.9 4,-1.6 -3,-0.4 3,-1.2 0.717 67.2 74.8 -46.4 -33.3 0.5 -42.0 -149.4 188 281 A P H 3> S+ 0 0 6 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.837 94.2 56.5 -52.1 -28.6 -0.4 -38.4 -150.4 189 282 A A H <> S+ 0 0 5 -3,-2.2 4,-1.7 1,-0.2 3,-0.2 0.844 102.6 55.5 -70.9 -33.5 -2.4 -40.0 -153.2 190 283 A I H <4 S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.5 3,-0.1 0.933 111.1 40.4 -67.3 -47.0 -4.4 -42.1 -150.7 191 284 A Q H < S+ 0 0 61 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.558 117.1 53.1 -80.8 -0.7 -5.6 -39.2 -148.6 192 285 A A H >< S+ 0 0 1 -4,-0.5 3,-1.3 -5,-0.3 -2,-0.2 0.721 94.5 66.6-100.7 -28.0 -6.2 -37.1 -151.7 193 286 A A G >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.3 6,-0.2 0.807 85.5 69.5 -67.8 -29.7 -8.4 -39.6 -153.7 194 287 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.687 84.6 75.8 -65.2 -5.8 -11.3 -39.4 -151.3 195 288 A S G < S+ 0 0 3 -3,-1.3 2,-0.5 17,-0.1 17,-0.2 0.436 83.2 77.7 -81.1 0.9 -11.7 -35.8 -152.6 196 289 A F S X S- 0 0 2 -3,-1.9 3,-2.6 1,-0.1 4,-0.3 -0.954 77.1-136.8-122.4 124.1 -13.3 -37.1 -155.8 197 290 A S G > S+ 0 0 3 -2,-0.5 3,-2.2 13,-0.5 7,-0.4 0.799 99.9 57.8 -37.1 -54.0 -16.8 -38.3 -156.1 198 291 A N G 3 S+ 0 0 27 1,-0.3 -1,-0.3 9,-0.2 8,-0.2 0.503 85.2 79.2 -65.0 -3.6 -16.2 -41.4 -158.3 199 292 A S G < S+ 0 0 0 -3,-2.6 -45,-0.5 1,-0.3 -46,-0.3 0.612 97.8 50.9 -73.9 -12.1 -13.8 -42.7 -155.6 200 293 A F X>> + 0 0 0 -3,-2.2 4,-3.2 -4,-0.3 3,-1.1 -0.750 63.5 164.8-128.6 81.8 -17.1 -43.7 -154.0 201 294 A P H 3>5S+ 0 0 25 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.854 75.2 63.6 -66.8 -36.3 -19.3 -45.6 -156.6 202 295 A Q H 345S+ 0 0 58 1,-0.2 171,-0.1 2,-0.2 169,-0.1 0.347 121.0 24.0 -72.5 11.7 -21.7 -46.9 -153.9 203 296 A I H <45S+ 0 0 16 -3,-1.1 170,-0.2 -6,-0.2 -1,-0.2 0.513 141.5 18.0-137.1 -54.5 -22.6 -43.2 -153.2 204 297 A F H ><5S- 0 0 5 -4,-3.2 3,-2.4 -7,-0.4 -2,-0.2 0.349 87.8-154.8-106.1 2.9 -21.9 -41.1 -156.3 205 298 A R T 3<< - 0 0 180 -4,-1.3 2,-1.1 -5,-0.5 -7,-0.1 0.725 69.4 -31.9 16.6 91.9 -21.8 -44.1 -158.6 206 299 A D T 3 S+ 0 0 126 -8,-0.2 -1,-0.3 1,-0.2 -8,-0.2 0.023 100.4 136.9 69.4 -29.3 -19.6 -42.9 -161.5 207 300 A R < - 0 0 102 -3,-2.4 -9,-0.2 -2,-1.1 -1,-0.2 -0.089 28.6-178.8 -49.1 147.6 -20.6 -39.2 -161.2 208 301 A T + 0 0 50 -11,-0.2 -11,-0.2 -3,-0.1 -1,-0.1 0.491 64.9 70.7-129.1 -9.9 -17.8 -36.7 -161.5 209 302 A D + 0 0 72 27,-0.1 2,-1.2 -13,-0.1 -2,-0.1 0.342 64.4 110.1 -95.4 8.1 -19.4 -33.2 -161.1 210 303 A I - 0 0 10 -6,-0.1 -13,-0.5 -147,-0.1 -147,-0.2 -0.695 64.4-144.2 -87.7 95.8 -20.2 -33.5 -157.4 211 304 A Q - 0 0 18 -2,-1.2 -147,-2.2 -149,-0.5 2,-0.4 -0.083 8.5-127.5 -56.6 155.0 -17.7 -31.1 -155.8 212 305 A C E -c 64 0A 1 26,-0.2 28,-2.3 25,-0.2 2,-0.5 -0.874 11.0-154.1-111.4 141.6 -16.1 -31.8 -152.5 213 306 A L E -cf 65 240A 0 -149,-3.1 -147,-2.2 -2,-0.4 28,-0.2 -0.963 10.0-170.5-115.4 127.2 -16.0 -29.5 -149.4 214 307 A I E - f 0 241A 3 26,-2.2 28,-1.5 -2,-0.5 2,-0.3 -0.854 8.2-159.1-121.5 97.7 -13.1 -29.9 -147.0 215 308 A P E + f 0 242A 7 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.575 35.6 144.0 -73.5 137.3 -13.3 -28.1 -143.7 216 309 A C E - f 0 243A 8 26,-3.1 28,-1.4 -2,-0.3 2,-0.2 -0.931 52.5 -72.4-157.7-179.6 -9.7 -27.9 -142.3 217 310 A A E > - f 0 244A 22 -2,-0.3 3,-0.8 26,-0.2 4,-0.2 -0.559 44.2-121.0 -82.0 151.7 -7.1 -25.8 -140.4 218 311 A I G > S+ 0 0 1 26,-1.9 3,-1.9 1,-0.2 -1,-0.1 0.887 110.9 56.7 -60.9 -42.1 -5.7 -22.9 -142.3 219 312 A D G 3 S+ 0 0 69 1,-0.3 -1,-0.2 25,-0.2 4,-0.2 0.755 95.8 67.3 -62.2 -23.6 -2.1 -24.1 -142.0 220 313 A Q G X> S+ 0 0 76 -3,-0.8 4,-1.2 1,-0.2 3,-1.1 0.545 73.0 97.8 -73.0 -7.9 -3.2 -27.3 -143.8 221 314 A D H <> S+ 0 0 4 -3,-1.9 4,-1.0 1,-0.3 3,-0.3 0.852 73.5 58.5 -50.2 -44.6 -3.9 -25.3 -146.9 222 315 A P H 3> S+ 0 0 38 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.859 103.6 55.1 -57.0 -33.8 -0.5 -26.2 -148.6 223 316 A Y H <> S+ 0 0 112 -3,-1.1 4,-0.8 -4,-0.2 3,-0.5 0.881 109.0 43.3 -68.8 -38.8 -1.4 -29.9 -148.3 224 317 A F H X S+ 0 0 33 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.586 97.2 81.8 -80.7 -8.3 -4.7 -29.6 -150.1 225 318 A R H X S+ 0 0 138 -4,-1.0 4,-2.4 -5,-0.3 -1,-0.2 0.927 91.2 49.5 -58.5 -45.9 -2.8 -27.4 -152.6 226 319 A M H X S+ 0 0 8 -4,-0.8 4,-1.9 -3,-0.5 5,-0.2 0.959 111.8 46.2 -57.5 -56.1 -1.5 -30.6 -154.3 227 320 A T H X S+ 0 0 7 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.893 114.5 48.0 -55.6 -43.8 -4.9 -32.2 -154.5 228 321 A R H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.4 53.2 -67.8 -36.8 -6.5 -28.9 -155.9 229 322 A D H X S+ 0 0 73 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.852 114.1 41.1 -67.8 -35.0 -3.7 -28.4 -158.5 230 323 A V H X S+ 0 0 1 -4,-1.9 4,-1.0 -5,-0.2 6,-0.2 0.779 93.0 87.6 -83.9 -26.2 -4.1 -31.9 -160.0 231 324 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.8 -5,-0.2 3,-1.2 0.862 94.0 38.7 -38.2 -59.7 -7.9 -31.9 -159.9 232 325 A P H >45S+ 0 0 68 0, 0.0 3,-4.0 0, 0.0 -1,-0.2 0.971 108.3 64.2 -60.4 -51.2 -8.4 -30.3 -163.3 233 326 A R H 3<5S+ 0 0 137 -4,-0.6 -2,-0.2 1,-0.3 -3,-0.1 0.626 108.6 40.7 -47.6 -18.2 -5.5 -32.2 -164.8 234 327 A I T <<5S- 0 0 15 -3,-1.2 -1,-0.3 -4,-1.0 -3,-0.1 0.034 127.4 -99.4-118.5 24.6 -7.4 -35.5 -164.3 235 328 A G T < 5S+ 0 0 56 -3,-4.0 -2,-0.2 1,-0.2 -4,-0.1 0.817 82.4 118.5 65.5 38.6 -10.7 -33.9 -165.3 236 329 A Y < - 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