==== 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 TRANSFERASE 15-NOV-00 1G7X . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.MIZUGUCHI,H.HAYASHI,K.OKADA,I.MIYAHARA,K.HIROTSU,H.KAGAMIY . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 0 0 2 1 0 1 2 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 5 A M 0 0 201 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.6 41.4 13.9 15.5 2 6 A F > + 0 0 158 3,-0.1 3,-1.4 1,-0.0 0, 0.0 0.478 360.0 95.7-121.4 -5.4 39.2 15.6 13.0 3 7 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.0 3,-0.0 0, 0.0 0.706 86.3 48.4 -67.0 -24.6 40.3 19.3 13.2 4 8 A N T 3 S+ 0 0 135 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 -0.009 81.0 130.0 -98.8 31.4 42.8 19.2 10.3 5 9 A I < - 0 0 120 -3,-1.4 2,-0.3 3,-0.0 -3,-0.1 -0.733 55.6-135.0 -89.3 126.0 40.3 17.5 8.0 6 10 A T - 0 0 134 -2,-0.6 -2,-0.1 1,-0.1 2,-0.1 -0.636 26.6-106.8 -74.9 136.9 40.1 19.3 4.6 7 11 A A - 0 0 87 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.374 37.0-107.9 -65.4 141.5 36.5 19.8 3.4 8 12 A A - 0 0 88 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.440 47.8 -87.6 -69.5 145.4 35.5 17.6 0.5 9 13 A P - 0 0 122 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.099 49.0 -89.5 -57.5 149.3 35.3 19.4 -2.9 10 14 A A - 0 0 93 1,-0.1 5,-0.0 -3,-0.1 -3,-0.0 -0.445 52.6-110.8 -60.6 119.1 32.0 21.1 -4.0 11 15 A D > - 0 0 82 -2,-0.2 4,-2.0 -3,-0.1 5,-0.3 -0.463 23.2-121.0 -59.9 124.8 30.1 18.4 -5.9 12 16 A P T 4 S+ 0 0 84 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.691 102.5 13.3 -34.6 -52.6 29.8 19.1 -9.7 13 17 A I T > S+ 0 0 67 2,-0.1 4,-2.2 3,-0.1 3,-0.3 0.834 118.5 65.0-101.0 -34.1 26.0 19.1 -10.0 14 18 A L H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.770 99.6 57.2 -61.6 -20.3 24.8 19.4 -6.3 15 19 A G H X S+ 0 0 31 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.965 105.8 48.1 -70.5 -48.9 26.5 22.8 -6.1 16 20 A L H > S+ 0 0 32 -4,-0.4 4,-2.7 -5,-0.3 -2,-0.2 0.884 107.1 59.4 -56.3 -42.7 24.4 24.1 -9.1 17 21 A A H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.958 107.7 43.1 -51.0 -57.0 21.4 22.6 -7.3 18 22 A D H < S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.1 51.4 -61.5 -36.5 21.9 24.8 -4.2 19 23 A L H >< S+ 0 0 86 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.886 109.9 50.1 -66.9 -38.0 22.7 27.9 -6.3 20 24 A F H >< S+ 0 0 44 -4,-2.7 3,-2.2 1,-0.3 2,-1.4 0.937 105.2 55.6 -66.3 -47.9 19.5 27.5 -8.3 21 25 A R T 3< S+ 0 0 174 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 -0.206 106.8 52.2 -90.2 53.8 17.2 27.1 -5.4 22 26 A A T < S+ 0 0 73 -2,-1.4 2,-0.9 -3,-0.6 -1,-0.3 0.139 81.5 101.0-159.1 -10.3 18.4 30.3 -4.0 23 27 A D < - 0 0 31 -3,-2.2 2,-0.2 -4,-0.1 5,-0.1 -0.783 58.3-160.9 -94.8 113.5 17.8 32.4 -7.2 24 28 A E + 0 0 176 -2,-0.9 -1,-0.1 1,-0.1 -3,-0.1 0.006 61.2 97.9 -83.0 30.4 14.6 34.1 -6.5 25 29 A R > - 0 0 91 -2,-0.2 2,-2.3 1,-0.0 3,-0.9 -0.735 61.4-156.4-125.1 88.2 13.7 34.9 -10.1 26 30 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.066 78.1 84.2 -71.2 32.1 11.3 32.3 -11.4 27 31 A G T 3 S+ 0 0 58 -2,-2.3 2,-0.1 338,-0.1 338,-0.0 0.293 73.9 129.8 -95.5 8.6 11.9 32.5 -15.2 28 32 A K < - 0 0 54 -3,-0.9 2,-0.4 -5,-0.1 339,-0.2 -0.319 42.6-169.8 -75.7 138.6 14.7 30.1 -14.1 29 33 A I E -a 367 0A 11 337,-1.8 339,-3.0 -2,-0.1 2,-0.7 -0.986 10.9-151.4-126.7 127.4 15.3 26.8 -15.8 30 34 A N E +a 368 0A 23 -2,-0.4 3,-0.2 337,-0.2 339,-0.2 -0.933 23.4 165.4-106.8 111.8 17.7 24.3 -14.3 31 35 A L + 0 0 3 337,-3.2 345,-1.6 -2,-0.7 3,-0.3 0.314 63.6 79.2-102.6 4.9 19.2 22.2 -17.1 32 36 A G + 0 0 7 336,-0.4 -1,-0.1 1,-0.2 -15,-0.1 0.119 62.0 119.6 -97.9 24.0 22.0 20.7 -14.9 33 37 A I - 0 0 33 -3,-0.2 -1,-0.2 343,-0.2 3,-0.1 0.755 53.4-155.4 -64.7 -35.5 19.6 18.2 -13.2 34 38 A G + 0 0 25 -3,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.519 67.8 83.4 72.1 -1.9 20.9 14.6 -13.9 35 39 A V S S- 0 0 39 312,-0.1 2,-0.3 341,-0.0 -1,-0.2 -0.847 85.3 -99.5-129.4 164.2 17.3 13.0 -13.5 36 40 A Y - 0 0 13 -2,-0.3 2,-0.3 -3,-0.1 343,-0.1 -0.668 35.4-173.8 -83.5 146.0 14.3 12.6 -15.8 37 41 A K - 0 0 51 -2,-0.3 6,-0.2 341,-0.2 343,-0.1 -0.978 15.4-135.3-135.0 142.3 11.5 15.1 -15.6 38 42 A D > - 0 0 36 4,-2.5 3,-2.8 -2,-0.3 4,-0.2 -0.248 46.3 -75.2 -84.0-172.5 8.2 15.0 -17.5 39 43 A E T 3 S+ 0 0 111 1,-0.3 344,-0.2 2,-0.1 -1,-0.0 0.709 133.8 54.5 -57.7 -24.2 6.3 17.8 -19.4 40 44 A T T 3 S- 0 0 96 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.388 117.3-112.2 -88.5 1.3 5.2 19.2 -16.0 41 45 A G S < S+ 0 0 38 -3,-2.8 2,-0.3 1,-0.3 -2,-0.1 0.829 78.5 125.4 68.6 34.0 8.9 19.4 -14.7 42 46 A K - 0 0 124 -4,-0.2 -4,-2.5 2,-0.0 -1,-0.3 -0.864 61.0-140.4-121.7 150.6 8.1 16.6 -12.2 43 47 A T - 0 0 52 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.836 37.1-166.1-108.4 87.9 9.9 13.3 -11.6 44 48 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 3,-0.0 -0.191 24.8-113.0 -75.8 164.8 6.9 11.0 -11.0 45 49 A V - 0 0 72 205,-0.1 204,-0.1 1,-0.0 205,-0.1 -0.823 47.3-108.3 -92.2 133.9 6.8 7.5 -9.6 46 50 A L > - 0 0 12 -2,-0.5 4,-2.2 202,-0.4 5,-0.2 -0.330 11.9-126.3 -64.4 151.0 5.6 5.2 -12.4 47 51 A T H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 110.3 53.6 -61.7 -42.7 2.2 3.6 -12.5 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 109.8 47.2 -61.3 -36.9 3.7 0.1 -12.9 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 111.2 50.3 -79.9 -31.7 5.9 0.6 -9.8 50 54 A K H X S+ 0 0 124 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 111.5 48.7 -67.3 -38.0 3.0 1.9 -7.6 51 55 A K H X S+ 0 0 109 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.943 112.7 50.6 -61.0 -42.4 0.9 -1.1 -8.7 52 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.919 108.3 50.2 -56.8 -48.2 3.9 -3.1 -7.8 53 57 A E H X S+ 0 0 44 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.813 107.6 53.1 -65.6 -33.9 4.2 -1.6 -4.4 54 58 A Q H X S+ 0 0 100 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.924 109.7 49.8 -66.3 -43.7 0.6 -2.1 -3.5 55 59 A Y H X S+ 0 0 114 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.952 112.2 46.8 -57.3 -52.5 1.0 -5.8 -4.4 56 60 A L H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.923 110.3 52.7 -59.3 -42.2 4.1 -6.0 -2.2 57 61 A L H < S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.5 44.6 -60.6 -37.6 2.3 -4.2 0.7 58 62 A E H < S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.792 124.3 32.4 -76.2 -29.2 -0.5 -6.7 0.4 59 63 A N H < S+ 0 0 95 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.600 83.3 106.0-112.4 -8.2 1.7 -9.8 0.1 60 64 A E < + 0 0 71 -4,-2.6 3,-0.1 -5,-0.2 -4,-0.0 -0.554 32.2 173.4 -74.4 134.1 5.0 -9.4 2.1 61 66 A T + 0 0 141 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.452 63.4 25.0-113.8 -4.3 5.0 -11.4 5.3 62 67 A T - 0 0 93 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.988 47.3-154.9-156.3 150.9 8.7 -10.9 6.5 63 68 A K + 0 0 161 -2,-0.3 3,-0.1 -3,-0.1 225,-0.1 -0.071 49.4 148.4-113.7 25.2 11.5 -8.3 6.1 64 69 A N - 0 0 117 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.260 57.5 -73.3 -61.3 148.5 14.1 -11.0 6.8 65 70 A Y - 0 0 183 1,-0.1 2,-0.2 220,-0.0 -1,-0.1 -0.047 40.2-135.1 -47.5 135.6 17.5 -10.7 5.1 66 71 A L - 0 0 43 220,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.505 38.9 -91.0 -79.7 163.2 18.0 -11.4 1.5 67 72 A G > - 0 0 43 3,-0.3 3,-2.7 -2,-0.2 -1,-0.1 -0.303 48.3 -91.7 -69.6 160.6 20.9 -13.6 0.5 68 73 A I T 3 S+ 0 0 35 1,-0.3 -1,-0.1 217,-0.2 3,-0.1 0.842 129.2 46.4 -38.6 -42.0 24.2 -11.7 -0.2 69 74 A D T 3 S- 0 0 48 1,-0.3 30,-2.3 29,-0.1 -1,-0.3 0.365 110.7-125.6 -91.4 5.7 23.3 -11.6 -3.9 70 75 A G < - 0 0 5 -3,-2.7 -3,-0.3 28,-0.2 -1,-0.3 -0.307 57.2 -9.4 82.8-163.5 19.7 -10.4 -3.5 71 76 A I > - 0 0 39 1,-0.1 4,-1.3 -5,-0.1 3,-0.2 -0.459 59.2-136.0 -78.2 134.4 16.4 -11.9 -4.7 72 77 A P T 4 S+ 0 0 117 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.494 99.9 54.1 -69.8 -11.6 16.7 -14.8 -7.2 73 78 A E T >> S+ 0 0 82 2,-0.1 4,-2.9 3,-0.1 3,-0.5 0.812 104.1 59.2 -80.7 -36.6 14.0 -13.7 -9.7 74 79 A F H 3> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.937 105.9 45.4 -52.5 -55.8 15.7 -10.3 -10.0 75 80 A G H 3X S+ 0 0 13 -4,-1.3 4,-0.9 2,-0.2 -1,-0.3 0.716 112.8 50.6 -66.7 -20.0 19.1 -11.7 -11.2 76 81 A R H <> S+ 0 0 128 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.938 113.0 48.6 -80.6 -37.1 17.3 -14.1 -13.7 77 82 A C H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.878 110.6 46.7 -64.5 -43.0 15.3 -11.1 -15.1 78 83 A T H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.865 112.7 50.1 -73.3 -29.9 18.2 -8.6 -15.6 79 84 A Q H X S+ 0 0 11 -4,-0.9 4,-2.5 -5,-0.2 5,-0.4 0.874 110.8 49.7 -78.3 -23.7 20.5 -11.2 -17.3 80 85 A E H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.957 113.7 46.9 -65.6 -45.9 17.6 -12.0 -19.6 81 86 A L H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.932 119.7 40.0 -54.9 -47.4 17.2 -8.3 -20.2 82 87 A L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 128.5 24.4 -70.8 -47.4 21.0 -7.9 -20.8 83 88 A F H < S- 0 0 11 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.611 113.0 -95.3-103.7 -8.4 21.9 -11.0 -22.8 84 89 A G >< - 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0 0 54 0, 0.0 4,-0.8 0, 0.0 5,-0.1 -0.398 34.7-161.4 -61.4 113.2 17.8 -3.4 -0.4 288 300 A A H > S+ 0 0 36 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 0.922 72.2 63.9 -63.3 -45.3 14.8 -5.4 -0.9 289 301 A H H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.815 105.0 39.3 -57.7 -49.5 12.1 -2.9 -1.9 290 302 A G H > S+ 0 0 0 -37,-0.5 4,-2.4 -36,-0.2 -1,-0.2 0.944 120.1 45.0 -69.8 -47.5 13.3 -1.5 -5.1 291 303 A A H X S+ 0 0 0 -4,-0.8 4,-2.4 -37,-0.3 -2,-0.2 0.855 111.3 54.7 -63.8 -31.3 14.6 -4.8 -6.5 292 304 A S H X S+ 0 0 21 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.952 107.6 49.4 -65.4 -47.0 11.5 -6.5 -5.4 293 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.958 111.0 50.1 -56.3 -49.8 9.4 -4.0 -7.3 294 306 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 109.5 52.7 -57.9 -41.1 11.6 -4.5 -10.5 295 307 A A H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.891 110.9 44.1 -64.7 -42.5 11.2 -8.3 -10.1 296 308 A T H X S+ 0 0 24 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.889 114.0 49.5 -77.6 -32.6 7.4 -8.4 -10.0 297 309 A I H >< S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.2 7,-0.5 0.998 115.3 44.4 -61.2 -58.7 7.0 -5.8 -12.9 298 310 A L H 3< S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.700 116.7 45.1 -61.6 -23.9 9.4 -7.8 -15.1 299 311 A S H 3< S+ 0 0 51 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.692 100.5 75.9 -91.5 -18.1 7.9 -11.2 -14.3 300 312 A N S+ 0 0 144 -2,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.887 94.7 47.5 -59.1 -42.0 3.1 -9.7 -18.3 302 314 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.950 116.9 42.2 -66.6 -47.4 0.4 -7.1 -17.6 303 315 A L H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.881 113.5 53.5 -68.4 -34.0 2.7 -5.0 -15.3 304 316 A R H X S+ 0 0 43 -4,-2.9 4,-2.5 -7,-0.5 -1,-0.2 0.864 105.5 53.6 -69.8 -35.8 5.6 -5.4 -17.8 305 317 A A H X S+ 0 0 59 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.918 109.7 48.3 -63.7 -43.7 3.5 -4.1 -20.7 306 318 A I H X S+ 0 0 58 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.953 112.1 48.2 -62.2 -50.5 2.6 -1.0 -18.7 307 319 A W H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.920 109.3 53.7 -57.8 -47.3 6.2 -0.3 -17.8 308 320 A E H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 110.3 46.8 -56.1 -39.6 7.3 -0.8 -21.4 309 321 A Q H X S+ 0 0 109 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.966 112.8 49.9 -65.8 -45.0 4.8 1.8 -22.5 310 322 A E H X S+ 0 0 33 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.868 111.1 48.2 -60.5 -39.4 5.9 4.2 -19.8 311 323 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.929 110.3 51.6 -70.1 -43.5 9.6 3.8 -20.7 312 324 A T H X S+ 0 0 28 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.906 107.2 54.6 -59.9 -38.6 8.9 4.4 -24.4 313 325 A D H X S+ 0 0 85 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.877 109.2 47.3 -64.3 -34.4 6.9 7.6 -23.5 314 326 A M H X S+ 0 0 13 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.959 112.8 48.8 -67.1 -49.7 10.0 8.8 -21.6 315 327 A R H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.914 112.7 47.0 -55.9 -47.9 12.3 8.0 -24.5 316 328 A Q H X S+ 0 0 64 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.917 107.4 57.0 -64.5 -39.3 10.1 9.7 -27.0 317 329 A R H X S+ 0 0 18 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.0 46.8 -58.1 -42.4 9.7 12.8 -24.8 318 330 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.958 112.5 49.3 -64.4 -48.5 13.5 13.2 -24.8 319 331 A Q H X S+ 0 0 68 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.891 111.3 49.6 -59.5 -40.0 13.7 12.7 -28.6 320 332 A R H X S+ 0 0 149 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.904 110.6 50.7 -66.2 -38.2 10.9 15.3 -29.1 321 333 A M H X S+ 0 0 7 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.894 108.3 50.9 -68.7 -35.8 12.7 17.8 -26.9 322 334 A R H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.933 114.8 45.3 -64.1 -43.1 16.0 17.4 -28.7 323 335 A Q H X S+ 0 0 92 -4,-2.0 4,-2.0 -5,-0.2 5,-0.3 0.967 113.7 47.1 -64.0 -50.7 14.1 18.0 -32.0 324 336 A L H X S+ 0 0 53 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.855 110.1 55.9 -60.5 -36.9 12.2 21.0 -30.7 325 337 A F H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.979 106.9 47.7 -61.3 -54.2 15.4 22.4 -29.2 326 338 A V H X S+ 0 0 9 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.926 118.6 37.3 -58.3 -51.6 17.2 22.4 -32.5 327 339 A N H X S+ 0 0 64 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.833 111.6 57.1 -80.0 -22.9 14.5 24.0 -34.7 328 340 A T H X S+ 0 0 19 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.883 109.1 49.9 -68.2 -30.7 13.2 26.5 -32.0 329 341 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.943 108.5 51.7 -67.2 -40.7 16.9 27.7 -32.0 330 342 A Q H < S+ 0 0 99 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.762 110.7 48.9 -66.0 -22.4 16.6 27.9 -35.8 331 343 A E H < S+ 0 0 143 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 110.7 47.7 -81.8 -38.2 13.4 30.0 -35.4 332 344 A K H < S- 0 0 78 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.669 113.9-139.6 -74.9 -19.9 15.0 32.4 -32.8 333 345 A G < + 0 0 44 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.963 42.7 141.0 70.5 110.5 17.9 32.6 -35.3 334 346 A A - 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