==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(AMINOTRANSFERASE) 10-MAY-94 1AIC . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.JAEGER,J.N.JANSONIUS . 792 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 40 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 3 0 0 2 3 3 1 0 7 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 4 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 . 0 2 2 0 0 4 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 . 6 0 0 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 5 A M 0 0 47 0, 0.0 3,-0.2 0, 0.0 515,-0.1 0.000 360.0 360.0 360.0 -27.1 13.5 57.4 41.5 2 6 A F > + 0 0 1 1,-0.2 3,-1.4 2,-0.1 657,-0.0 0.415 360.0 105.5-103.6 6.9 15.4 54.9 39.3 3 7 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.2 665,-0.0 656,-0.0 0.814 86.9 29.8 -50.0 -46.8 18.8 55.5 40.8 4 8 A N T 3 S+ 0 0 158 -3,-0.2 2,-0.5 2,-0.1 -1,-0.3 -0.201 83.1 134.5-117.3 35.8 19.3 52.4 42.8 5 9 A I < - 0 0 10 -3,-1.4 2,-0.4 659,-0.1 663,-0.1 -0.799 53.2-130.8 -82.7 131.8 17.2 50.0 40.6 6 10 A T - 0 0 106 -2,-0.5 -2,-0.1 508,-0.1 2,-0.0 -0.744 18.8-102.1 -92.3 144.1 19.3 46.9 40.2 7 11 A A - 0 0 55 -2,-0.4 -1,-0.0 1,-0.1 -2,-0.0 0.293 35.7-128.3 -32.8 -33.4 20.0 45.2 36.9 8 12 A A - 0 0 27 663,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.573 38.9 -95.7 68.9 121.7 17.7 42.1 36.4 9 13 A P - 0 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.179 43.8 -80.2 -71.6 164.7 19.8 39.0 35.6 10 14 A A - 0 0 88 1,-0.1 -2,-0.0 4,-0.1 3,-0.0 -0.436 46.9-117.5 -62.3 133.7 20.6 37.5 32.1 11 15 A D > - 0 0 42 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.622 22.6-131.5 -71.3 134.4 17.7 35.4 30.8 12 16 A P T 4 S+ 0 0 79 0, 0.0 4,-0.4 0, 0.0 359,-0.2 0.920 102.9 31.6 -51.2 -48.0 19.1 31.8 30.4 13 17 A I T >> S+ 0 0 31 2,-0.1 3,-1.3 1,-0.1 4,-0.6 0.979 121.6 47.3 -77.0 -60.1 17.8 31.3 26.9 14 18 A L H >> S+ 0 0 69 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.897 105.1 57.0 -52.0 -50.6 18.0 34.9 25.6 15 19 A G H 3X S+ 0 0 29 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.653 95.0 66.9 -62.4 -17.9 21.5 35.8 26.7 16 20 A L H <> S+ 0 0 15 -3,-1.3 4,-1.4 -4,-0.4 -1,-0.2 0.857 90.4 62.6 -74.0 -30.8 23.2 32.9 24.8 17 21 A A H X S+ 0 0 43 -4,-1.4 3,-1.5 2,-0.2 4,-0.5 0.920 113.5 43.6 -74.6 -55.5 27.1 33.4 19.8 21 25 A R H >< S+ 0 0 150 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.994 117.5 48.7 -52.3 -57.3 26.6 36.2 17.3 22 26 A A T 3< S+ 0 0 39 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.272 93.3 75.4 -63.5 -2.0 29.3 38.1 19.0 23 27 A D T <4 S- 0 0 32 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.797 75.1-162.7 -86.4 -19.3 31.8 35.2 19.1 24 28 A E << + 0 0 161 -3,-1.9 -2,-0.1 -4,-0.5 -3,-0.1 0.887 29.8 154.0 30.2 53.3 32.6 35.5 15.3 25 29 A R - 0 0 94 -5,-0.3 3,-0.2 1,-0.2 -1,-0.2 -0.688 46.8-109.7 -87.9 155.5 34.1 32.1 15.0 26 30 A P S S+ 0 0 118 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.914 94.8 7.8 -39.7-116.1 34.1 30.1 11.8 27 31 A G S S+ 0 0 77 2,-0.0 339,-0.1 360,-0.0 338,-0.0 0.111 86.3 163.1 -74.3 30.5 31.8 26.9 11.5 28 32 A K - 0 0 47 -2,-0.8 2,-0.4 -3,-0.2 339,-0.2 0.097 25.6-150.0 -50.0 152.7 29.9 27.5 14.8 29 33 A I E -a 367 0A 11 337,-2.5 339,-2.7 359,-0.0 2,-0.7 -0.987 1.0-154.1-131.0 131.9 26.6 25.8 15.5 30 34 A N E +a 368 0A 25 -2,-0.4 3,-0.4 349,-0.2 339,-0.1 -0.870 25.3 160.0-112.2 109.7 23.8 27.2 17.7 31 35 A L + 0 0 3 337,-2.9 345,-1.2 -2,-0.7 339,-0.3 0.288 61.2 84.6-108.6 14.0 21.6 24.7 19.3 32 36 A G + 0 0 6 336,-0.3 -1,-0.2 337,-0.2 -15,-0.1 0.358 64.9 114.9 -93.8 8.8 20.3 27.1 22.0 33 37 A I - 0 0 40 -3,-0.4 346,-0.1 343,-0.1 345,-0.1 -0.225 54.2-154.5 -73.9 160.9 17.6 28.5 19.7 34 38 A G + 0 0 29 2,-0.1 2,-0.3 344,-0.1 -1,-0.1 0.096 65.8 79.3-128.9 35.1 13.9 28.0 20.4 35 39 A V S S- 0 0 9 312,-0.1 2,-0.3 341,-0.0 343,-0.1 -0.782 87.2 -96.1-133.1 160.6 12.4 28.3 17.0 36 40 A Y - 0 0 23 -2,-0.3 2,-0.4 210,-0.1 -2,-0.1 -0.652 39.1-168.9 -81.1 151.4 12.1 25.7 14.1 37 41 A K - 0 0 21 -2,-0.3 6,-0.2 341,-0.2 343,-0.1 -0.975 14.3-131.6-138.9 139.2 14.9 26.1 11.6 38 42 A D > - 0 0 35 4,-2.7 3,-1.9 -2,-0.4 5,-0.0 -0.311 38.4 -82.1 -88.7-177.6 14.8 24.3 8.2 39 43 A E T 3 S+ 0 0 113 1,-0.3 344,-0.2 2,-0.1 -1,-0.1 0.791 130.3 50.2 -52.5 -29.3 17.4 22.3 6.5 40 44 A T T 3 S- 0 0 93 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.543 121.9-104.3 -90.5 -12.8 19.1 25.5 5.1 41 45 A G S < S+ 0 0 36 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.755 79.7 111.6 103.1 21.5 19.1 27.1 8.5 42 46 A K - 0 0 119 417,-0.0 -4,-2.7 0, 0.0 -1,-0.3 -0.841 63.8-130.8-134.1 165.7 16.3 29.6 8.3 43 47 A T - 0 0 17 -2,-0.3 417,-0.4 -6,-0.2 418,-0.3 -0.818 40.0-169.2-110.0 83.9 12.9 30.2 9.8 44 48 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 416,-0.3 -0.139 28.3-101.7 -70.7 172.9 10.8 30.9 6.7 45 49 A V - 0 0 20 413,-0.2 204,-0.1 414,-0.1 205,-0.1 -0.824 46.5-109.5 -97.5 127.7 7.2 32.2 6.4 46 50 A L > - 0 0 17 -2,-0.5 4,-2.0 202,-0.4 5,-0.2 -0.284 20.0-127.0 -55.1 146.8 4.9 29.3 5.7 47 51 A T H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.917 111.2 52.4 -67.6 -42.1 3.5 29.3 2.2 48 52 A S H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.874 107.8 52.6 -63.5 -28.2 -0.1 29.1 3.5 49 53 A V H >> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 3,-1.1 0.992 107.7 49.8 -71.5 -53.2 0.6 32.0 5.9 50 54 A K H 3X S+ 0 0 52 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.801 110.4 52.9 -52.5 -34.9 1.9 34.3 3.0 51 55 A K H 3X S+ 0 0 117 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.859 109.8 45.8 -73.9 -31.7 -1.3 33.3 1.0 52 56 A A H - 0 0 46 3,-0.4 3,-1.8 -2,-0.2 -1,-0.2 -0.215 50.9 -92.4 -55.0 168.9 -13.7 42.6 20.9 68 73 A I T 3 S+ 0 0 23 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.807 129.3 46.8 -65.8 -25.5 -11.7 41.8 24.1 69 74 A D T 3 S- 0 0 39 1,-0.3 30,-2.2 29,-0.1 -1,-0.3 0.472 106.5-139.5 -97.7 2.1 -11.7 38.2 23.2 70 75 A G < + 0 0 9 -3,-1.8 -3,-0.4 28,-0.2 -1,-0.3 -0.540 54.5 7.4 85.3-145.7 -10.7 38.7 19.6 71 76 A I > - 0 0 19 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.640 58.6-144.4 -83.4 123.9 -11.9 37.0 16.4 72 77 A P H > S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.928 98.2 43.1 -49.4 -63.2 -14.8 34.6 16.8 73 78 A E H > S+ 0 0 75 2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.814 108.5 60.8 -64.7 -30.2 -13.9 31.9 14.3 74 79 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.991 110.9 41.7 -49.0 -54.4 -10.3 32.1 15.6 75 80 A G H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.3 0.872 114.5 49.6 -59.4 -44.9 -11.9 31.0 18.9 76 81 A R H X S+ 0 0 131 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.933 112.2 50.0 -57.5 -48.4 -14.3 28.4 17.2 77 82 A C H X S+ 0 0 8 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.859 109.1 49.4 -63.6 -37.3 -11.3 26.9 15.3 78 83 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.914 108.7 53.5 -79.3 -27.9 -9.1 26.6 18.3 79 84 A Q H X S+ 0 0 27 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.963 111.2 45.8 -64.4 -47.3 -11.8 24.9 20.3 80 85 A E H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.882 113.0 51.1 -61.1 -38.7 -12.3 22.2 17.6 81 86 A L H < S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.934 117.7 38.1 -62.7 -39.3 -8.5 21.8 17.3 82 87 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 147,-0.2 0.952 133.1 21.7 -78.2 -48.2 -8.2 21.3 21.0 83 88 A F H < S- 0 0 8 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.442 109.0-108.7-105.6 0.0 -11.3 19.3 21.8 84 89 A G >< - 0 0 8 -4,-2.1 3,-1.5 -5,-0.4 6,-0.2 0.218 40.2 -77.7 82.7 150.0 -12.2 17.8 18.4 85 90 A K T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.763 124.9 39.6 -61.3 -30.1 -15.1 18.8 16.3 86 91 A G T 3 S+ 0 0 63 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.129 78.6 147.2-106.6 24.2 -18.0 17.0 18.1 87 92 A S X> - 0 0 24 -3,-1.5 4,-2.8 1,-0.1 3,-1.0 -0.329 52.2-136.3 -60.7 137.1 -16.9 17.5 21.7 88 93 A A H 3> S+ 0 0 51 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.947 105.7 67.8 -54.5 -39.9 -19.7 17.9 24.2 89 94 A L H 34>S+ 0 0 10 1,-0.3 5,-2.5 2,-0.2 6,-0.7 0.839 109.4 37.1 -52.3 -31.7 -17.6 20.8 25.7 90 95 A I H X45S+ 0 0 41 -3,-1.0 3,-1.7 3,-0.2 -1,-0.3 0.925 118.3 46.6 -87.3 -45.5 -18.4 22.6 22.4 91 96 A N H 3<5S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.932 114.7 47.4 -66.5 -35.3 -22.0 21.4 21.9 92 97 A D T 3<5S- 0 0 101 -4,-3.7 173,-0.5 -5,-0.2 -1,-0.3 0.340 110.6-124.8 -83.1 6.3 -22.9 22.1 25.5 93 98 A K T < 5 + 0 0 77 -3,-1.7 -3,-0.2 -5,-0.3 175,-0.2 0.869 63.5 143.1 53.2 47.2 -21.3 25.5 25.1 94 99 A R < + 0 0 23 -5,-2.5 168,-2.0 -6,-0.3 2,-0.3 0.443 49.0 64.3 -97.0 -4.6 -19.1 24.8 28.2 95 100 A A E -B 261 0B 3 -6,-0.7 2,-0.4 166,-0.2 166,-0.2 -0.949 56.8-165.8-126.8 147.4 -15.9 26.5 26.9 96 101 A R E -B 260 0B 69 164,-2.1 164,-2.3 -2,-0.3 2,-0.4 -0.993 9.7-154.8-128.2 129.3 -15.0 30.1 26.1 97 102 A T E -B 259 0B 10 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.932 6.0-167.7-113.4 131.6 -11.8 31.2 24.2 98 103 A A E -B 258 0B 0 160,-2.4 160,-2.4 -2,-0.4 2,-0.4 -0.956 24.0-131.1-109.7 132.1 -10.1 34.6 24.4 99 104 A Q E -B 257 0B 2 -30,-2.2 158,-0.3 -2,-0.4 156,-0.0 -0.744 36.3-178.1 -77.3 135.9 -7.4 35.3 21.7 100 105 A T E -B 256 0B 0 156,-2.2 2,-2.2 -2,-0.4 156,-1.3 -0.884 40.6 -84.7-134.6 163.3 -4.3 36.6 23.4 101 106 A P S > S- 0 0 0 0, 0.0 4,-1.1 0, 0.0 154,-0.3 -0.404 93.2 -49.9 -67.8 80.6 -0.7 37.9 22.5 102 107 A G H > S- 0 0 0 -2,-2.2 4,-1.8 152,-0.4 154,-0.3 -0.085 78.2 -65.2 88.9 175.1 0.9 34.4 22.2 103 108 A G H > S+ 0 0 7 152,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.859 135.0 56.6 -70.7 -32.2 1.0 31.5 24.5 104 109 A T H >> S+ 0 0 12 576,-0.2 4,-2.2 1,-0.2 3,-0.6 0.971 108.2 48.6 -59.1 -42.5 2.9 33.5 27.1 105 110 A G H 3X S+ 0 0 1 -4,-1.1 4,-2.5 575,-0.4 -2,-0.2 0.850 107.1 54.2 -65.2 -38.7 0.1 36.0 27.0 106 111 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.3 0.832 109.9 48.4 -58.0 -37.5 -2.5 33.3 27.4 107 112 A L H X S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.2 3,-0.6 0.946 114.3 52.8 -69.1 -45.1 -7.0 33.1 38.8 115 120 A A H 3< S+ 0 0 28 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.891 118.5 33.7 -65.9 -23.2 -5.1 35.3 41.1 116 121 A K H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.532 128.4 28.9-116.1 4.7 -7.7 38.0 41.4 117 122 A N H << S+ 0 0 43 -4,-1.1 2,-0.2 -3,-0.6 -3,-0.2 0.520 115.4 46.1-130.8 -17.7 -11.0 36.1 41.1 118 123 A T S < S- 0 0 29 -4,-1.6 -4,-0.0 -5,-0.4 0, 0.0 -0.495 78.8-113.8-122.1-173.1 -10.3 32.8 42.5 119 124 A S + 0 0 85 -2,-0.2 -4,-0.1 -3,-0.1 -5,-0.1 0.239 65.1 130.6-110.2 5.7 -8.7 31.3 45.5 120 125 A V + 0 0 12 -6,-0.4 53,-0.1 1,-0.2 3,-0.1 -0.121 19.9 162.9 -54.0 167.6 -6.0 29.7 43.8 121 126 A K + 0 0 135 1,-0.3 22,-2.6 51,-0.3 2,-0.4 0.259 56.3 52.1-160.8 -5.3 -2.6 30.4 45.3 122 129 A R E -c 143 0B 61 50,-0.3 52,-3.5 20,-0.2 2,-0.4 -0.993 47.8-175.8-152.7 132.5 -0.5 27.8 43.9 123 133 A V E -cd 144 174B 2 20,-2.0 22,-1.3 -2,-0.4 2,-0.4 -0.978 17.5-147.3-138.5 128.0 0.5 26.2 40.7 124 134 A W E -cd 145 175B 26 50,-2.3 52,-3.0 -2,-0.4 2,-0.3 -0.735 16.5-173.3 -88.3 121.1 2.8 23.3 40.4 125 135 A V E -c 146 0B 5 20,-2.6 22,-1.9 -2,-0.4 4,-0.1 -0.804 31.5 -96.2-119.2 152.1 5.0 23.1 37.4 126 136 A S E -c 147 0B 3 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.403 43.3 -95.8 -65.1 156.6 7.2 20.2 36.4 127 137 A N S S+ 0 0 77 20,-2.1 23,-1.1 1,-0.2 22,-0.5 -0.947 113.9 23.7-109.4 114.9 10.9 20.0 37.3 128 138 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.672 88.6 150.7 -82.7 171.6 12.3 21.0 34.8 129 139 A S - 0 0 18 -2,-0.1 -4,-0.0 55,-0.1 53,-0.0 -0.835 60.0 -60.1-145.5 173.0 10.0 23.2 32.8 130 140 A W > - 0 0 42 53,-0.4 3,-2.1 -2,-0.3 4,-0.4 -0.516 54.9-131.3 -55.0 124.3 10.3 26.2 30.5 131 141 A P T >> S+ 0 0 60 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.848 101.0 63.9 -58.8 -30.2 12.0 28.7 32.8 132 142 A N H 3> S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.583 83.4 81.7 -78.0 4.0 9.6 31.6 32.0 133 143 A H H <> S+ 0 0 1 -3,-2.1 4,-1.8 2,-0.2 5,-0.3 0.972 91.4 47.8 -64.7 -47.5 6.8 29.5 33.6 134 144 A K H <> S+ 0 0 81 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 0.885 111.0 52.9 -60.0 -38.6 7.8 30.6 37.1 135 145 A S H X S+ 0 0 49 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.885 106.5 48.8 -74.3 -37.4 8.0 34.2 36.1 136 146 A V H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 3,-0.2 0.992 118.0 40.7 -67.9 -47.6 4.5 34.6 34.6 137 147 A F H ><>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 3,-1.3 0.884 114.8 52.0 -65.9 -39.0 2.8 33.0 37.6 138 148 A N H ><5S+ 0 0 84 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.872 103.3 59.4 -67.5 -32.5 5.1 34.8 40.1 139 149 A S H 3<5S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.669 103.4 50.8 -64.6 -19.3 4.3 38.1 38.5 140 150 A A T <<5S- 0 0 13 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.432 125.1-101.7 -99.8 1.8 0.6 37.7 39.2 141 151 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.786 75.4 135.4 86.8 36.0 1.3 36.9 42.9 142 152 A L < - 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0 0 51 -9,-1.6 4,-2.1 -2,-0.6 5,-0.1 -0.842 11.7-175.1-105.6 103.4 9.5 8.5 36.4 159 170 A F H > S+ 0 0 34 -2,-1.2 4,-3.2 2,-0.2 5,-0.3 0.887 74.7 62.8 -56.6 -43.7 6.0 8.5 36.9 160 171 A D H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.941 107.1 42.8 -58.2 -56.3 6.4 7.2 40.5 161 172 A A H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -13,-0.4 0.890 114.9 52.0 -60.7 -34.5 8.3 10.3 41.6 162 173 A L H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 3,-0.3 0.959 112.6 43.6 -64.3 -43.0 5.9 12.6 39.7 163 174 A I H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.885 113.7 52.2 -72.8 -30.1 2.8 11.0 41.3 164 175 A N H >< S+ 0 0 110 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.3 0.792 106.7 51.4 -77.3 -27.3 4.4 11.0 44.7 165 176 A S H 3< S+ 0 0 34 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.823 101.4 62.9 -80.6 -23.3 5.3 14.7 44.5 166 177 A L T 3< S+ 0 0 0 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.114 83.7 120.9 -85.6 26.6 1.7 15.6 43.6 167 178 A N S < S- 0 0 77 -3,-0.7 2,-1.2 3,-0.0 3,-0.1 -0.627 80.2 -2.0-105.7 151.0 0.6 14.3 46.9 168 179 A E S S+ 0 0 133 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.702 81.2 150.3 71.5 -91.1 -1.1 16.2 49.4 169 180 A A - 0 0 3 -2,-1.2 4,-0.3 -4,-0.1 -1,-0.2 0.970 63.1-103.6 29.2 69.9 -0.8 19.3 47.0 170 181 A Q > - 0 0 100 1,-0.1 3,-1.8 -3,-0.1 34,-0.0 0.423 31.8 -88.6 -8.8 143.9 -4.0 20.7 48.5 171 182 A A T 3 S+ 0 0 76 1,-0.3 35,-0.2 35,-0.1 34,-0.2 -0.333 117.7 34.1 -60.3 139.9 -7.4 20.6 46.8 172 183 A G T 3 S+ 0 0 17 33,-3.3 -50,-0.3 1,-0.3 -51,-0.3 0.563 86.0 133.7 89.0 2.2 -7.8 23.8 44.7 173 184 A D < - 0 0 11 -3,-1.8 34,-3.2 -4,-0.3 2,-0.4 -0.553 57.3-122.8 -75.8 150.5 -4.1 23.9 43.8 174 185 A V E -de 123 207B 0 -52,-3.5 -50,-2.3 32,-0.2 2,-0.5 -0.831 22.9-163.8 -95.3 136.7 -3.3 24.5 40.1 175 186 A V E -de 124 208B 0 32,-2.9 34,-2.7 -2,-0.4 2,-0.6 -0.992 10.0-146.0-121.0 124.1 -1.2 21.8 38.3 176 187 A L E - e 0 209B 0 -52,-3.0 2,-0.4 -2,-0.5 -50,-0.3 -0.825 14.6-170.0 -95.1 124.2 0.3 22.8 35.0 177 188 A F E - e 0 210B 5 32,-2.7 34,-2.9 -2,-0.6 2,-0.6 -0.933 22.2-135.6-112.1 131.9 0.6 20.1 32.3 178 189 A H E - e 0 211B 19 -2,-0.4 34,-0.2 32,-0.2 4,-0.2 -0.782 20.8-145.9 -77.7 118.7 2.6 20.5 29.1 179 190 A G - 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0 0 54 -415,-0.2 -1,-0.1 2,-0.1 -414,-0.1 -0.990 45.3-157.1-157.4 149.2 10.8 35.3 8.7 460 68 B K + 0 0 0 -417,-0.4 -208,-2.7 -2,-0.3 -207,-0.2 -0.095 50.3 145.6-114.1 33.0 8.2 35.7 11.4 461 69 B N - 0 0 57 -418,-0.3 -2,-0.1 -210,-0.2 -209,-0.0 -0.158 58.8 -72.6 -64.5 159.8 10.9 34.9 13.9 462 70 B Y - 0 0 80 -211,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.236 39.1-133.3 -59.3 146.8 10.6 36.7 17.3 463 71 B L - 0 0 34 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.513 39.2 -89.4 -86.8 160.1 11.4 40.3 17.8 464 72 B G > - 0 0 44 3,-0.4 3,-1.6 -2,-0.2 -1,-0.2 -0.232 47.6 -98.1 -61.5 162.2 13.6 41.3 20.9 465 73 B I T 3 S+ 0 0 16 1,-0.3 -1,-0.1 217,-0.2 3,-0.1 0.895 128.2 47.8 -54.9 -33.9 11.6 41.9 24.1 466 74 B D T 3 S- 0 0 45 1,-0.3 30,-3.1 29,-0.1 -1,-0.3 0.633 109.6-137.5 -85.2 -10.2 11.8 45.7 23.4 467 75 B G < + 0 0 8 -3,-1.6 -3,-0.4 28,-0.2 -1,-0.3 -0.553 52.5 2.2 93.9-159.3 10.7 45.2 19.7 468 76 B I > - 0 0 29 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.572 56.1-145.8 -69.6 118.5 11.9 46.7 16.5 469 77 B P H > S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.890 99.1 50.4 -48.4 -58.6 14.8 49.2 16.8 470 78 B E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 108.0 56.7 -54.5 -33.6 13.8 51.6 14.0 471 79 B F H > S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.963 107.6 47.6 -59.7 -48.3 10.3 51.7 15.7 472 80 B G H X S+ 0 0 10 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.882 112.2 48.9 -60.7 -37.6 11.9 52.9 19.0 473 81 B R H X S+ 0 0 136 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.923 109.7 49.9 -76.6 -39.3 14.0 55.5 17.3 474 82 B C H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.918 109.7 53.2 -65.3 -39.6 11.1 57.0 15.3 475 83 B T H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.922 107.9 50.0 -60.9 -45.8 9.0 57.2 18.5 476 84 B Q H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 5,-0.5 0.886 111.3 49.4 -62.5 -38.3 11.8 59.1 20.3 477 85 B E H X S+ 0 0 92 -4,-2.1 4,-1.6 3,-0.2 -2,-0.2 0.938 112.6 47.0 -68.2 -40.6 12.0 61.5 17.4 478 86 B L H < S+ 0 0 5 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.965 120.0 39.5 -64.5 -42.5 8.2 62.1 17.4 479 87 B L H < S+ 0 0 1 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.981 131.6 20.3 -73.4 -53.0 8.1 62.5 21.1 480 88 B F H < S- 0 0 9 -4,-2.4 -3,-0.2 -5,-0.2 3,-0.2 0.469 109.7-113.6 -98.9 -3.6 11.2 64.6 21.9 481 89 B G >< - 0 0 5 -4,-1.6 3,-1.3 -5,-0.5 6,-0.2 0.229 39.9 -58.6 84.4 156.5 11.9 66.0 18.5 482 90 B K T 3 S+ 0 0 195 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.556 122.6 15.5 -41.0 -42.2 14.6 65.6 16.0 483 91 B G T 3 S+ 0 0 47 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.201 80.9 151.8-129.9 26.1 17.8 66.7 17.9 484 92 B S X> - 0 0 27 -3,-1.3 4,-2.6 -4,-0.1 3,-1.0 -0.097 53.6-123.7 -64.6 148.6 17.1 66.7 21.6 485 93 B A H 3> S+ 0 0 55 1,-0.3 4,-3.9 2,-0.2 5,-0.4 0.934 109.3 66.8 -51.7 -42.4 19.7 66.1 24.2 486 94 B L H 34>S+ 0 0 11 1,-0.3 5,-2.2 2,-0.2 6,-0.7 0.847 110.0 36.6 -49.1 -39.5 17.5 63.2 25.6 487 95 B I H X45S+ 0 0 29 -3,-1.0 3,-1.1 3,-0.2 -1,-0.3 0.936 120.7 44.8 -83.5 -40.6 18.2 61.3 22.4 488 96 B N H 3<5S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.845 113.0 49.3 -77.9 -24.6 21.7 62.4 21.9 489 97 B D T 3<5S- 0 0 99 -4,-3.9 173,-0.4 -5,-0.3 -1,-0.3 0.457 111.2-125.6 -86.1 -2.3 22.8 61.8 25.5 490 98 B K T < 5 + 0 0 100 -3,-1.1 -3,-0.2 -5,-0.4 175,-0.1 0.898 63.9 140.3 61.3 46.4 21.1 58.5 25.1 491 99 B R < + 0 0 28 -5,-2.2 168,-1.9 -6,-0.3 2,-0.4 0.525 48.6 72.2 -96.9 -2.1 18.9 58.9 28.2 492 100 B A E -K 658 0F 0 -6,-0.7 2,-0.3 166,-0.2 166,-0.2 -0.937 54.4-169.4-121.9 135.9 15.7 57.3 26.8 493 101 B R E -K 657 0F 62 164,-1.9 164,-2.1 -2,-0.4 2,-0.4 -0.948 8.5-158.3-122.1 140.4 14.8 53.7 26.1 494 102 B T E -K 656 0F 14 -2,-0.3 2,-0.5 162,-0.2 162,-0.2 -0.977 6.8-167.6-123.3 127.1 11.6 52.5 24.2 495 103 B A E -K 655 0F 0 160,-2.3 160,-2.2 -2,-0.4 2,-0.3 -0.969 27.7-128.3-107.7 129.0 10.0 49.1 24.4 496 104 B Q E -K 654 0F 3 -30,-3.1 158,-0.3 -2,-0.5 156,-0.1 -0.677 38.6-171.0 -71.7 149.5 7.4 48.6 21.6 497 105 B T E -K 653 0F 0 156,-2.5 2,-2.1 -2,-0.3 156,-1.4 -0.880 36.1 -86.8-143.3 155.9 4.2 47.5 23.4 498 106 B P S > S- 0 0 0 0, 0.0 4,-1.3 0, 0.0 154,-0.3 -0.436 92.5 -54.2 -64.2 77.9 0.6 46.1 22.6 499 107 B G H > S- 0 0 0 -2,-2.1 4,-1.2 152,-0.4 154,-0.3 -0.030 80.1 -59.7 81.0 173.9 -1.0 49.5 22.1 500 108 B G H >> S+ 0 0 7 152,-0.3 4,-1.6 1,-0.2 3,-0.6 0.922 135.0 55.4 -62.2 -39.5 -1.2 52.5 24.4 501 109 B T H 3> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 103.7 52.1 -59.3 -41.7 -2.8 50.4 27.1 502 110 B G H 3X S+ 0 0 0 -4,-1.3 4,-2.5 -219,-0.3 -1,-0.2 0.756 107.3 55.2 -65.2 -26.8 -0.1 47.8 27.2 503 111 B A H - 0 0 43 53,-0.4 3,-2.1 -2,-0.3 4,-0.5 -0.523 54.9-127.9 -51.4 126.2 -10.3 57.6 30.5 528 141 B P T >> S+ 0 0 63 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.822 102.3 63.8 -52.0 -34.5 -12.1 55.0 32.8 529 142 B N H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.582 82.2 76.0 -78.1 -3.7 -9.5 52.4 32.1 530 143 B H H <> S+ 0 0 0 -3,-2.1 4,-1.7 2,-0.2 5,-0.3 0.892 95.0 51.7 -69.9 -36.0 -6.6 54.2 33.7 531 144 B K H <> S+ 0 0 118 -3,-1.1 4,-2.3 -4,-0.5 -2,-0.2 0.971 112.2 46.2 -66.2 -42.2 -8.0 53.4 37.1 532 145 B S H X S+ 0 0 54 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.887 110.0 50.1 -74.2 -32.5 -8.2 49.7 36.2 533 146 B V H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.948 116.4 41.7 -73.9 -38.6 -4.8 49.2 34.6 534 147 B F H ><>S+ 0 0 0 -4,-1.7 5,-1.7 -5,-0.2 3,-1.0 0.879 114.8 52.6 -67.2 -40.0 -2.9 50.9 37.5 535 148 B N H ><5S+ 0 0 79 -4,-2.3 3,-2.7 -5,-0.3 -2,-0.2 0.952 101.1 59.1 -62.3 -44.2 -5.1 49.1 40.0 536 149 B S T 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.599 104.5 53.1 -62.6 -8.3 -4.4 45.7 38.5 537 150 B A T < 5S- 0 0 19 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.504 124.4-104.1 -99.1 -11.8 -0.7 46.3 39.2 538 151 B G T < 5S+ 0 0 65 -3,-2.7 2,-0.3 -4,-0.3 -3,-0.2 0.740 75.7 131.8 97.1 30.8 -1.4 47.1 42.8 539 152 B L < - 0 0 10 -5,-1.7 2,-0.4 -4,-0.1 -1,-0.3 -0.808 55.1-123.2-112.7 155.7 -1.2 50.8 42.9 540 154 B E E -l 519 0F 60 -22,-2.1 -20,-1.5 -2,-0.3 2,-0.5 -0.786 23.5-151.5-100.0 139.7 -3.6 53.3 44.5 541 155 B V E -l 520 0F 17 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.966 12.0-171.8-114.0 134.1 -5.0 55.8 42.1 542 156 B R E -l 521 0F 105 -22,-2.1 -20,-3.0 -2,-0.5 2,-0.5 -0.853 19.2-123.4-118.5 155.5 -6.0 59.2 43.4 543 157 B E E -l 522 0F 101 -2,-0.3 -20,-0.2 -22,-0.2 2,-0.2 -0.864 15.0-162.6-111.7 126.6 -7.8 62.0 41.5 544 158 B Y E -l 523 0F 4 -22,-2.1 -20,-1.7 -2,-0.5 15,-0.1 -0.620 34.8-103.2 -93.8 163.5 -6.7 65.6 41.0 545 159 B A + 0 0 31 13,-0.5 18,-0.1 14,-0.2 3,-0.1 -0.488 51.0 150.3 -82.9 161.1 -9.3 68.1 39.8 546 160 B Y + 0 0 10 -22,-0.5 9,-2.6 1,-0.4 2,-0.4 0.418 44.1 66.4-153.4 -54.0 -9.3 69.2 36.2 547 161 B Y E -Q 554 0G 45 -23,-1.2 2,-0.8 7,-0.2 -1,-0.4 -0.704 57.3-144.9 -95.8 146.5 -12.6 70.3 34.8 548 162 B D E >> -Q 553 0G 20 5,-2.9 4,-2.4 -2,-0.4 5,-0.6 -0.864 12.7-164.9-104.5 104.6 -14.8 73.2 35.6 549 163 B A T 45S+ 0 0 73 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.0 0.684 85.7 44.8 -65.7 -17.0 -18.4 71.9 35.1 550 164 B E T 45S+ 0 0 165 -3,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.927 124.8 26.4 -93.3 -57.7 -19.8 75.3 35.1 551 165 B N T 45S- 0 0 117 2,-0.1 -2,-0.2 186,-0.0 3,-0.1 0.590 99.6-126.6 -86.5 -11.0 -17.5 77.3 32.9 552 166 B H T <5 + 0 0 49 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.974 68.6 107.7 63.6 59.1 -16.3 74.2 30.8 553 167 B T E + 0 0 55 -9,-2.6 4,-1.6 -2,-0.6 5,-0.1 -0.788 25.6 178.5 -90.6 97.6 -9.9 74.7 36.6 556 170 B F H > S+ 0 0 36 -2,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.951 72.1 52.2 -70.3 -42.4 -6.3 75.4 37.0 557 171 B D H > S+ 0 0 118 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.918 111.4 47.5 -63.6 -48.4 -6.5 76.6 40.5 558 172 B A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -13,-0.5 0.835 111.3 51.8 -62.5 -27.1 -8.4 73.6 41.7 559 173 B L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -14,-0.2 0.976 111.5 45.7 -74.0 -44.4 -5.9 71.2 39.8 560 174 B I H X S+ 0 0 34 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.949 115.2 49.1 -55.7 -48.8 -2.8 72.8 41.5 561 175 B N H >< S+ 0 0 105 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.891 110.7 46.5 -61.2 -44.2 -4.5 72.7 44.8 562 176 B S H >< S+ 0 0 29 -4,-2.4 3,-1.3 1,-0.3 4,-0.3 0.902 110.2 57.9 -67.7 -30.5 -5.6 69.1 44.6 563 177 B L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.725 86.6 75.1 -73.0 -15.7 -2.1 68.3 43.5 564 178 B N T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.819 86.5 63.1 -68.6 -22.1 -0.6 69.7 46.5 565 179 B E T < S+ 0 0 140 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.642 83.3 100.7 -68.9 -15.7 -1.8 66.6 48.5 566 180 B A < - 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