==== 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 1AIA . 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) . 29713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.9 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 . 47 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 38.8 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 4 0 0 2 3 5 1 0 5 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 3 0 2 2 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 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 . 5 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 46 0, 0.0 515,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -35.6 13.3 57.2 41.4 2 6 A F > + 0 0 0 1,-0.1 3,-1.6 2,-0.1 657,-0.0 0.465 360.0 100.7-103.7 -3.8 15.4 54.8 39.3 3 7 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 664,-0.0 664,-0.0 0.758 90.1 36.0 -51.0 -37.2 19.0 55.4 40.6 4 8 A N T 3 S+ 0 0 153 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.090 80.3 129.2-116.5 22.7 19.1 52.3 42.7 5 9 A I < - 0 0 9 -3,-1.6 2,-0.2 659,-0.1 510,-0.1 -0.638 56.9-130.6 -75.2 129.1 17.2 49.8 40.5 6 10 A T - 0 0 101 -2,-0.4 665,-0.1 508,-0.1 -2,-0.1 -0.520 20.8-100.7 -85.6 156.3 19.3 46.7 40.2 7 11 A A - 0 0 57 -2,-0.2 -1,-0.1 663,-0.1 -2,-0.0 0.435 39.7-126.8 -54.9 -14.6 20.1 45.1 36.8 8 12 A A - 0 0 30 663,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.684 37.7 -91.9 62.4 121.6 17.7 42.0 36.4 9 13 A P - 0 0 126 0, 0.0 2,-0.1 0, 0.0 665,-0.0 -0.119 44.4 -85.5 -66.8 159.1 19.6 38.7 35.5 10 14 A A - 0 0 85 1,-0.1 -2,-0.0 2,-0.1 6,-0.0 -0.460 46.3-115.2 -62.1 132.5 20.4 37.3 32.1 11 15 A D > - 0 0 39 -2,-0.1 4,-3.0 1,-0.1 5,-0.4 -0.622 21.7-129.8 -72.7 126.6 17.6 35.2 30.7 12 16 A P T 4 S+ 0 0 75 0, 0.0 359,-0.3 0, 0.0 -1,-0.1 0.620 103.8 28.7 -51.6 -23.9 18.8 31.6 30.4 13 17 A I T > S+ 0 0 25 357,-0.1 4,-0.6 2,-0.1 3,-0.4 0.774 125.1 44.7-102.7 -47.2 17.6 31.2 26.8 14 18 A L H >> S+ 0 0 66 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.867 105.7 58.9 -67.2 -41.7 17.9 34.8 25.5 15 19 A G H 3X S+ 0 0 25 -4,-3.0 4,-1.3 1,-0.2 3,-0.3 0.769 97.2 62.8 -59.4 -30.2 21.3 35.6 27.0 16 20 A L H 3> S+ 0 0 17 -3,-0.4 4,-1.8 -5,-0.4 -1,-0.2 0.833 93.5 63.1 -68.5 -29.8 22.9 32.8 25.1 17 21 A A H X S+ 0 0 42 -4,-1.8 3,-1.6 2,-0.2 4,-0.6 0.924 112.4 46.1 -68.3 -57.1 26.7 33.5 20.1 21 25 A R H >< S+ 0 0 154 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.969 114.2 49.8 -53.4 -53.8 26.3 36.4 17.7 22 26 A A T 3< S+ 0 0 46 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.310 93.3 77.0 -69.1 4.8 29.2 38.2 19.3 23 27 A D T <4 - 0 0 32 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.852 68.8-170.1 -89.5 -28.4 31.5 35.2 19.2 24 28 A E << + 0 0 166 -3,-1.1 -2,-0.1 -4,-0.6 -3,-0.1 0.802 27.1 148.8 33.1 48.1 32.3 35.5 15.4 25 29 A R > - 0 0 87 1,-0.1 3,-0.6 341,-0.1 -1,-0.2 -0.764 52.4-109.8 -91.5 143.7 34.1 32.2 15.1 26 30 A P T 3 S+ 0 0 126 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.920 97.0 16.4 -32.8-105.0 33.8 30.4 11.8 27 31 A G T 3 S+ 0 0 70 2,-0.0 339,-0.2 340,-0.0 340,-0.0 -0.065 83.1 160.0 -83.5 35.7 31.7 27.1 11.7 28 32 A K < - 0 0 47 -2,-0.8 2,-0.4 -3,-0.6 339,-0.2 -0.171 26.2-150.2 -53.6 139.1 29.8 27.8 15.0 29 33 A I E -a 367 0A 11 337,-0.6 339,-2.8 359,-0.0 2,-0.7 -0.940 2.4-152.5-120.1 133.8 26.5 25.9 15.7 30 34 A N E +a 368 0A 28 -2,-0.4 3,-0.3 349,-0.2 339,-0.2 -0.862 27.7 158.0-112.2 107.1 23.6 27.2 17.8 31 35 A L + 0 0 3 337,-2.9 345,-1.2 -2,-0.7 339,-0.3 0.300 63.1 83.8-100.7 8.7 21.5 24.5 19.4 32 36 A G + 0 0 3 336,-0.5 -1,-0.2 337,-0.2 337,-0.1 0.467 65.1 117.1 -88.4 -0.6 20.3 26.9 22.1 33 37 A I - 0 0 38 -3,-0.3 346,-0.1 343,-0.1 345,-0.1 -0.195 55.0-152.6 -68.3 155.1 17.5 28.4 19.8 34 38 A G + 0 0 25 2,-0.1 2,-0.3 342,-0.0 -1,-0.1 0.042 68.5 81.1-116.5 29.3 13.8 28.1 20.6 35 39 A V S S- 0 0 9 312,-0.1 2,-0.2 341,-0.0 -2,-0.1 -0.880 84.5-101.0-136.4 151.7 12.5 28.2 17.1 36 40 A Y - 0 0 22 -2,-0.3 2,-0.3 210,-0.1 -2,-0.1 -0.522 38.3-171.6 -71.2 146.9 12.1 25.7 14.2 37 41 A K - 0 0 20 -2,-0.2 6,-0.2 341,-0.1 2,-0.1 -0.974 13.2-135.2-138.3 143.9 14.8 26.0 11.7 38 42 A D > - 0 0 38 4,-2.9 3,-1.8 -2,-0.3 276,-0.0 -0.337 40.2 -77.6 -96.0-174.3 14.8 24.2 8.4 39 43 A E T 3 S+ 0 0 118 1,-0.3 344,-0.3 2,-0.1 -1,-0.0 0.735 129.0 51.3 -50.2 -29.5 17.5 22.3 6.5 40 44 A T T 3 S- 0 0 94 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.464 121.9-102.1 -91.4 -6.8 19.1 25.5 5.3 41 45 A G S < S+ 0 0 37 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.697 81.3 116.4 98.4 17.4 19.3 27.1 8.6 42 46 A K - 0 0 114 417,-0.0 -4,-2.9 0, 0.0 -1,-0.3 -0.801 61.6-136.4-129.7 167.9 16.3 29.4 8.4 43 47 A T - 0 0 16 -2,-0.3 417,-0.4 -6,-0.2 418,-0.3 -0.821 38.5-170.6-112.0 81.5 12.9 30.1 9.8 44 48 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 416,-0.2 -0.196 30.2-103.3 -72.3 163.2 10.7 30.8 6.8 45 49 A V - 0 0 19 413,-0.4 204,-0.1 412,-0.1 205,-0.1 -0.777 47.1-112.1 -82.8 126.3 7.3 32.2 6.5 46 50 A L > - 0 0 17 -2,-0.5 4,-2.1 202,-0.4 5,-0.1 -0.204 18.6-125.5 -52.9 149.4 5.0 29.2 5.8 47 51 A T H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.877 111.1 53.9 -71.0 -37.6 3.4 29.3 2.3 48 52 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 108.5 50.9 -60.8 -36.7 -0.1 29.0 3.6 49 53 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.962 108.8 49.7 -68.7 -49.9 0.6 32.0 5.9 50 54 A K H X S+ 0 0 52 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.876 112.7 49.0 -60.1 -33.6 1.9 34.1 2.9 51 55 A K H X S+ 0 0 114 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.875 110.3 49.2 -71.6 -36.4 -1.3 33.2 1.0 52 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.901 109.2 53.7 -74.1 -32.0 -3.5 34.1 3.9 53 57 A E H X S+ 0 0 10 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.786 106.7 51.9 -69.7 -26.9 -1.7 37.5 4.2 54 58 A Q H X S+ 0 0 81 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.928 108.9 51.2 -71.0 -44.5 -2.3 38.3 0.6 55 59 A Y H X S+ 0 0 101 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.935 111.2 46.6 -54.7 -52.8 -5.9 37.6 1.1 56 60 A L H X S+ 0 0 14 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.914 107.9 56.6 -61.8 -41.1 -6.1 39.9 4.1 57 61 A L H < S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.0 40.4 -54.0 -43.1 -4.2 42.7 2.3 58 62 A E H < S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 123.5 36.8 -80.4 -26.1 -6.9 42.6 -0.4 59 63 A N H < S+ 0 0 85 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.684 81.7 104.7-107.0 -18.0 -9.9 42.2 1.8 60 64 A E < + 0 0 29 -4,-2.6 382,-0.1 -5,-0.2 3,-0.1 -0.518 33.9 174.9 -69.6 124.6 -9.4 44.2 5.0 61 66 A T + 0 0 119 -2,-0.3 381,-0.5 1,-0.2 2,-0.3 0.511 66.1 17.6-103.5 -10.6 -11.5 47.4 5.0 62 67 A T - 0 0 48 379,-0.2 -1,-0.2 2,-0.1 380,-0.1 -0.983 47.8-150.4-157.1 157.5 -10.7 48.5 8.5 63 68 A K + 0 0 1 377,-0.4 586,-2.8 -2,-0.3 587,-0.2 -0.171 49.1 151.4-115.7 30.7 -8.3 48.0 11.4 64 69 A N - 0 0 63 376,-0.3 -2,-0.1 584,-0.2 378,-0.0 -0.336 56.6 -75.6 -65.9 145.0 -11.0 48.8 13.9 65 70 A Y - 0 0 74 1,-0.1 2,-0.1 220,-0.0 -1,-0.1 -0.016 40.3-129.0 -46.7 142.6 -10.6 47.1 17.3 66 71 A L - 0 0 34 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.421 39.5 -90.0 -78.9 160.2 -11.3 43.5 17.9 67 72 A G > - 0 0 41 3,-0.5 3,-1.7 -2,-0.1 -1,-0.2 -0.253 48.6 -96.1 -62.9 162.7 -13.5 42.5 20.9 68 73 A I T 3 S+ 0 0 25 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.885 129.2 45.4 -57.1 -29.0 -11.6 41.9 24.1 69 74 A D T 3 S- 0 0 44 1,-0.2 30,-2.3 29,-0.1 -1,-0.3 0.493 108.0-137.1 -96.9 2.2 -11.7 38.2 23.3 70 75 A G < + 0 0 8 -3,-1.7 -3,-0.5 28,-0.2 -1,-0.2 -0.545 54.3 3.1 90.9-151.1 -10.7 38.5 19.6 71 76 A I > - 0 0 20 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.658 58.7-145.1 -82.8 121.7 -11.9 36.9 16.4 72 77 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.871 98.7 46.5 -50.1 -47.8 -14.8 34.5 17.1 73 78 A E H > S+ 0 0 86 2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.730 104.7 61.1 -75.6 -24.5 -13.9 31.9 14.5 74 79 A F H > S+ 0 0 1 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.978 110.0 43.7 -58.1 -49.3 -10.4 32.0 15.7 75 80 A G H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -2,-0.3 0.849 112.6 49.8 -65.0 -40.1 -12.0 30.8 19.0 76 81 A R H X S+ 0 0 124 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.942 113.0 49.2 -62.6 -45.0 -14.3 28.2 17.4 77 82 A C H X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.786 109.1 48.7 -66.2 -33.3 -11.4 26.8 15.4 78 83 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.843 108.8 56.0 -82.0 -23.6 -9.1 26.5 18.3 79 84 A Q H X S+ 0 0 26 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.934 110.7 43.6 -67.3 -44.6 -11.8 24.7 20.3 80 85 A E H X S+ 0 0 38 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.856 113.8 51.6 -63.3 -38.2 -12.2 22.1 17.6 81 86 A L H < S+ 0 0 5 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.968 118.6 37.4 -66.5 -43.0 -8.4 21.7 17.3 82 87 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.956 133.1 21.0 -72.7 -51.2 -8.1 21.2 21.0 83 88 A F H < S- 0 0 7 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.469 110.1-105.7-102.8 -4.0 -11.2 19.1 21.9 84 89 A G >< - 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0 0 0 -168,-2.0 -25,-0.1 -2,-0.4 6,-0.1 -0.883 50.4 -88.4-131.8 167.2 -16.5 25.2 33.4 263 275 A A S S- 0 0 38 -2,-0.3 2,-0.3 4,-0.1 -26,-0.1 0.672 103.7 -4.3 -52.5 -23.1 -19.2 22.7 34.4 264 276 A D S > S- 0 0 68 -170,-0.1 4,-2.2 -171,-0.1 3,-0.2 -0.980 77.8 -89.1-162.9 171.6 -21.7 24.5 32.2 265 277 A S H > S+ 0 0 43 -173,-0.5 4,-1.7 -2,-0.3 5,-0.1 0.815 116.0 49.5 -51.9 -54.0 -22.6 27.4 30.0 266 278 A E H > S+ 0 0 127 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.864 112.8 49.1 -63.4 -37.9 -23.8 30.0 32.5 267 279 A T H > S+ 0 0 12 -3,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 108.9 52.3 -71.5 -41.2 -20.8 29.4 34.7 268 280 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.798 109.3 50.8 -64.1 -31.6 -18.3 29.8 31.8 269 281 A D H X S+ 0 0 65 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.851 112.1 45.4 -72.6 -29.9 -19.9 33.1 30.8 270 282 A R H X S+ 0 0 62 -4,-1.3 4,-0.7 2,-0.2 135,-0.3 0.921 118.2 42.8 -78.8 -45.6 -19.7 34.5 34.4 271 283 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.832 112.5 53.8 -67.3 -35.6 -16.2 33.4 34.8 272 284 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.749 99.0 62.4 -73.3 -22.5 -15.2 34.5 31.2 273 285 A S H X S+ 0 0 26 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.807 106.8 45.6 -69.1 -30.2 -16.5 38.1 31.9 274 286 A Q H X S+ 0 0 31 -4,-0.7 4,-1.5 -3,-0.4 -2,-0.2 0.774 108.2 55.8 -79.9 -32.1 -13.8 38.3 34.6 275 287 A M H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.897 109.8 47.4 -62.6 -38.7 -11.2 36.8 32.3 276 288 A K H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.895 105.7 56.1 -71.8 -39.1 -12.1 39.6 29.9 277 289 A A H X S+ 0 0 42 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.884 106.8 52.7 -58.7 -33.2 -11.9 42.3 32.6 278 290 A A H < S+ 0 0 17 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.827 110.3 47.1 -68.8 -32.9 -8.3 40.9 33.2 279 291 A I H >X>S+ 0 0 0 -4,-1.2 5,-2.1 -3,-0.3 3,-1.8 0.919 107.2 56.9 -70.5 -46.0 -7.4 41.4 29.4 280 292 A R H 3<5S+ 0 0 22 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.833 107.3 49.0 -57.3 -35.4 -8.9 44.9 29.3 281 293 A A T 3<5S+ 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.284 118.0 39.8 -91.3 10.0 -6.6 46.0 32.1 282 294 A N T <45S- 0 0 0 -3,-1.8 223,-0.5 -5,-0.1 -2,-0.2 0.560 142.2 -18.0-116.3 -75.7 -3.5 44.6 30.5 283 295 A Y T <5S- 0 0 0 -4,-1.5 2,-1.6 222,-0.1 219,-0.4 0.404 79.6-135.5-119.4 3.2 -3.4 45.1 26.7 284 296 A S S - 0 0 3 0, 0.0 4,-0.7 0, 0.0 363,-0.2 -0.419 38.0-161.5 -52.4 116.6 -3.2 41.6 17.9 288 300 A A H > S+ 0 0 0 361,-2.6 4,-2.2 -2,-0.3 5,-0.2 0.891 70.7 65.4 -76.0 -35.9 -5.4 41.0 14.8 289 301 A H H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.905 103.7 39.6 -60.2 -55.7 -3.0 40.1 12.0 290 302 A G H > S+ 0 0 0 -37,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.915 118.8 47.0 -62.1 -44.7 -1.5 36.8 13.2 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.2 -38,-0.2 -1,-0.2 0.813 108.3 56.3 -70.3 -27.4 -4.8 35.5 14.5 292 304 A S H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.907 105.5 53.2 -66.8 -38.3 -6.6 36.5 11.2 293 305 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 3,-0.3 0.968 109.0 48.4 -61.1 -44.8 -4.1 34.5 9.4 294 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.875 111.9 47.7 -65.0 -40.1 -4.8 31.4 11.5 295 307 A A H X S+ 0 0 6 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.830 111.0 52.2 -69.4 -33.8 -8.6 31.7 11.2 296 308 A T H X S+ 0 0 16 -4,-2.1 4,-1.1 -3,-0.3 -2,-0.2 0.940 114.6 42.2 -68.6 -45.3 -8.3 32.2 7.4 297 309 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 7,-0.5 0.972 115.6 47.3 -62.6 -57.0 -6.1 29.0 7.0 298 310 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 117.2 43.5 -60.0 -24.9 -8.1 26.8 9.4 299 311 A S H 3< S+ 0 0 59 -4,-1.1 2,-0.7 -5,-0.2 -1,-0.3 0.618 101.4 70.5-100.8 -10.0 -11.4 27.8 7.8 300 312 A N S S+ 0 0 132 -2,-0.7 4,-1.1 1,-0.2 -1,-0.1 0.629 92.0 51.8 -53.6 -28.5 -9.9 23.9 3.2 302 314 A A H > S+ 0 0 72 2,-0.2 4,-2.1 3,-0.1 3,-0.3 0.959 113.6 44.5 -67.3 -56.0 -7.4 24.4 0.5 303 315 A L H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.831 112.7 51.9 -57.5 -36.8 -5.2 26.5 2.7 304 316 A R H X S+ 0 0 61 -4,-2.3 4,-3.1 -7,-0.5 -1,-0.2 0.881 106.0 54.5 -70.5 -35.6 -5.6 24.1 5.6 305 317 A A H X S+ 0 0 55 -4,-1.1 4,-1.6 -3,-0.3 -2,-0.2 0.922 111.2 45.3 -61.9 -45.8 -4.5 21.2 3.4 306 318 A I H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 112.5 51.1 -68.7 -42.3 -1.4 23.0 2.5 307 319 A W H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.934 107.0 53.8 -60.6 -46.5 -0.8 24.1 6.2 308 320 A E H X S+ 0 0 67 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.887 110.2 47.5 -57.4 -36.8 -1.1 20.5 7.4 309 321 A Q H X S+ 0 0 107 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.910 109.9 51.7 -69.1 -41.3 1.5 19.3 4.9 310 322 A E H X S+ 0 0 37 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.864 113.0 46.8 -60.6 -37.8 3.8 22.2 5.9 311 323 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.861 108.9 53.9 -71.8 -37.4 3.4 21.0 9.5 312 324 A T H X S+ 0 0 30 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.906 109.0 49.8 -61.7 -41.5 3.9 17.4 8.6 313 325 A D H X S+ 0 0 89 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.871 108.9 50.4 -67.1 -40.4 7.2 18.3 7.0 314 326 A M H X S+ 0 0 12 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.969 113.0 47.7 -61.4 -49.1 8.3 20.2 10.0 315 327 A R H X S+ 0 0 26 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.921 113.6 47.3 -56.3 -43.6 7.5 17.2 12.2 316 328 A Q H X S+ 0 0 63 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 106.1 57.6 -70.5 -32.2 9.3 14.7 9.9 317 329 A R H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 107.9 47.8 -61.7 -41.3 12.3 16.9 9.7 318 330 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.929 110.9 50.0 -69.1 -42.2 12.7 16.8 13.5 319 331 A Q H X S+ 0 0 70 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.913 110.1 51.6 -61.1 -41.2 12.3 13.0 13.6 320 332 A R H X S+ 0 0 148 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.938 109.9 49.8 -58.2 -47.3 15.0 12.6 10.8 321 333 A M H X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.824 107.1 53.7 -65.7 -31.1 17.4 14.7 12.9 322 334 A R H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.970 113.9 41.7 -67.6 -50.7 16.8 12.7 16.0 323 335 A Q H X S+ 0 0 81 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.957 116.9 48.5 -60.2 -48.2 17.7 9.3 14.1 324 336 A L H X S+ 0 0 60 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.765 107.9 56.2 -64.9 -28.3 20.6 11.0 12.3 325 337 A F H X S+ 0 0 4 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.971 112.0 39.3 -69.3 -50.0 21.9 12.5 15.6 326 338 A V H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.910 116.6 52.7 -72.9 -28.8 22.2 9.2 17.4 327 339 A N H X S+ 0 0 87 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.968 110.8 44.9 -66.7 -50.0 23.5 7.3 14.2 328 340 A T H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.835 111.3 55.4 -58.0 -36.2 26.2 9.8 13.6 329 341 A L H X>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-0.7 0.964 108.3 47.4 -63.8 -46.2 27.1 9.7 17.3 330 342 A Q H ><5S+ 0 0 77 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.937 115.6 47.5 -62.2 -41.1 27.5 5.9 17.2 331 343 A E H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 105.8 53.6 -64.7 -43.2 29.6 6.3 14.0 332 344 A K H 3<5S- 0 0 61 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.512 129.0 -91.1 -79.7 1.0 32.0 9.1 15.2 333 345 A G T <<5 - 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0 0 5 -4,-1.5 3,-1.2 -5,-0.4 -1,-0.2 0.134 38.9 -65.0 93.9 152.0 12.0 66.1 18.6 482 90 B K T 3 S+ 0 0 189 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.708 125.3 17.5 -40.2 -47.7 14.6 65.7 16.0 483 91 B G T 3 S+ 0 0 48 -3,-0.1 -1,-0.2 -6,-0.1 5,-0.1 0.234 82.1 156.5-121.5 21.0 17.8 66.8 17.8 484 92 B S X> - 0 0 25 -3,-1.2 4,-2.1 1,-0.1 3,-1.0 0.017 49.7-127.6 -52.1 139.6 16.9 66.6 21.6 485 93 B A H 3> S+ 0 0 60 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.868 106.7 66.2 -54.1 -36.7 19.6 66.2 24.1 486 94 B L H 34>S+ 0 0 9 1,-0.2 5,-2.0 2,-0.2 6,-0.7 0.820 107.4 40.3 -53.6 -39.6 17.7 63.2 25.6 487 95 B I H X45S+ 0 0 31 -3,-1.0 3,-1.0 3,-0.2 -1,-0.2 0.920 117.5 47.4 -79.8 -39.3 18.3 61.3 22.4 488 96 B N H 3<5S+ 0 0 120 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.834 113.9 46.5 -73.3 -25.4 21.9 62.5 22.0 489 97 B D T 3<5S- 0 0 103 -4,-3.3 173,-0.5 -5,-0.2 -1,-0.3 0.504 110.0-125.3 -89.5 -1.9 22.8 61.8 25.6 490 98 B K T < 5 + 0 0 93 -3,-1.0 -3,-0.2 -5,-0.2 175,-0.1 0.794 64.4 140.6 58.8 37.7 21.1 58.4 25.3 491 99 B R < + 0 0 27 -5,-2.0 168,-1.9 -6,-0.2 2,-0.4 0.577 50.5 74.1 -84.3 -10.6 18.9 59.0 28.3 492 100 B A E -K 658 0F 0 -6,-0.7 2,-0.4 166,-0.2 166,-0.2 -0.868 52.5-175.0-114.5 140.1 15.8 57.3 26.7 493 101 B R E -K 657 0F 58 164,-2.0 164,-2.4 -2,-0.4 2,-0.4 -1.000 10.8-158.4-130.9 133.0 14.9 53.7 26.1 494 102 B T E -K 656 0F 11 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.916 5.7-164.4-117.7 132.4 11.8 52.5 24.2 495 103 B A E -K 655 0F 0 160,-2.2 160,-2.4 -2,-0.4 2,-0.3 -0.960 24.9-128.0-109.6 128.9 10.0 49.2 24.3 496 104 B Q E -K 654 0F 3 -30,-2.8 158,-0.2 -2,-0.5 156,-0.0 -0.619 39.9-174.8 -68.3 143.0 7.5 48.4 21.5 497 105 B T E -K 653 0F 0 156,-2.3 2,-1.9 -2,-0.3 156,-1.4 -0.864 37.4 -88.6-141.1 158.9 4.3 47.3 23.3 498 106 B P S > S- 0 0 0 0, 0.0 4,-1.2 0, 0.0 154,-0.3 -0.468 91.5 -52.9 -69.0 79.4 0.7 45.9 22.6 499 107 B G H > S- 0 0 0 -2,-1.9 4,-1.2 152,-0.5 154,-0.3 -0.115 78.6 -63.6 83.4 172.4 -1.0 49.3 22.1 500 108 B G H > S+ 0 0 7 152,-0.3 4,-1.8 2,-0.2 3,-0.2 0.888 135.8 55.8 -64.2 -35.1 -1.1 52.3 24.4 501 109 B T H > S+ 0 0 10 1,-0.2 4,-2.1 -218,-0.2 -1,-0.2 0.894 105.8 51.2 -63.4 -39.1 -3.0 50.2 27.0 502 110 B G H X S+ 0 0 0 -4,-1.2 4,-2.3 -219,-0.4 -1,-0.2 0.782 108.1 51.7 -66.8 -32.2 -0.1 47.7 27.0 503 111 B A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.847 108.8 50.8 -68.4 -40.0 2.5 50.4 27.5 504 112 B L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.938 112.7 47.4 -63.1 -46.7 0.5 51.7 30.6 505 113 B R H X S+ 0 0 2 -4,-2.1 4,-2.3 -223,-0.5 5,-0.2 0.934 111.7 47.6 -68.6 -44.1 0.4 48.2 32.0 506 114 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.868 113.2 49.5 -68.0 -30.0 4.1 47.4 31.5 507 115 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 111.6 51.2 -66.1 -40.4 5.0 50.9 33.1 508 116 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.881 111.8 44.1 -63.4 -42.7 2.7 50.0 35.9 509 117 B D H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.860 114.2 50.6 -73.2 -33.5 4.3 46.5 36.6 510 118 B F H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.928 114.6 44.0 -62.6 -47.5 7.8 48.0 36.3 511 119 B L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 6,-0.3 0.962 114.2 48.3 -65.4 -52.5 6.8 50.7 38.7 512 120 B A H < S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 120.6 37.6 -59.3 -33.1 5.0 48.4 41.2 513 121 B K H < S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.743 126.0 29.9 -91.6 -24.1 7.9 45.8 41.2 514 122 B N H < S+ 0 0 33 -4,-2.0 2,-0.3 -3,-0.2 -2,-0.2 0.278 113.0 52.1-122.4 9.2 11.1 48.0 41.0 515 123 B T S < S- 0 0 26 -4,-1.1 -513,-0.1 2,-0.1 -4,-0.0 -0.903 77.1-113.9-146.6 162.4 10.2 51.2 42.8 516 124 B S + 0 0 105 -2,-0.3 2,-0.2 -515,-0.2 -4,-0.1 0.262 68.8 129.8 -82.2 4.6 8.8 52.8 45.9 517 125 B V + 0 0 9 -6,-0.3 -2,-0.1 1,-0.2 53,-0.1 -0.491 19.3 160.9 -62.4 129.6 5.6 54.2 44.0 518 126 B K + 0 0 145 51,-0.3 22,-2.5 -2,-0.2 2,-0.3 0.492 60.5 42.6-122.7 -16.1 2.4 53.3 45.8 519 129 B R E -l 540 0F 53 50,-0.3 52,-1.9 20,-0.2 2,-0.4 -0.954 52.6-165.4-134.9 149.1 0.1 55.9 44.1 520 133 B V E -lm 541 571F 1 20,-2.7 22,-2.4 -2,-0.3 2,-0.5 -1.000 17.6-143.4-133.5 136.3 -0.6 57.4 40.8 521 134 B W E -lm 542 572F 14 50,-2.7 52,-3.0 -2,-0.4 2,-0.3 -0.857 21.1-179.3 -95.4 121.9 -2.7 60.6 40.4 522 135 B V E -l 543 0F 4 20,-2.8 22,-1.8 -2,-0.5 52,-0.1 -0.912 30.6-101.1-117.1 160.5 -5.0 60.6 37.4 523 136 B S E -l 544 0F 0 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.212 38.4 -94.3 -75.4 166.7 -7.2 63.6 36.5 524 137 B N E S+l 545 0F 77 20,-1.4 23,-1.3 1,-0.2 22,-0.7 -0.985 113.4 23.9-124.2 115.4 -10.9 63.9 37.1 525 138 B P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.638 89.7 149.5 -80.1 172.0 -12.3 63.0 34.7 526 139 B S - 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