==== 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 04-AUG-00 1GCK . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.URA,T.NAKAI,K.HIROTSU,S.KURAMITSU . 766 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.0 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 . 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 . 50 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 5 2 1 1 1 0 2 2 3 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 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 . 4 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 1 A M 0 0 91 0, 0.0 581,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -50.6 15.2 23.4 87.8 2 2 A R + 0 0 95 579,-0.2 2,-0.1 2,-0.1 548,-0.1 -0.974 360.0 80.4-150.1 158.4 17.8 23.0 84.9 3 3 A G S S- 0 0 30 -2,-0.3 2,-0.0 546,-0.1 632,-0.0 -0.348 75.6 -65.7 120.3 155.2 19.4 20.0 83.2 4 4 A L - 0 0 23 -2,-0.1 490,-0.2 1,-0.1 489,-0.1 -0.263 55.0 -93.8 -74.8 161.8 18.2 17.6 80.4 5 5 A S >> - 0 0 0 488,-0.7 4,-2.2 1,-0.1 3,-0.8 -0.336 30.2-114.0 -73.2 155.4 15.4 15.0 80.6 6 6 A R H 3> S+ 0 0 169 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.847 115.0 55.9 -55.4 -41.5 15.9 11.4 81.6 7 7 A R H 34 S+ 0 0 49 1,-0.2 -1,-0.2 485,-0.2 486,-0.1 0.774 111.5 42.3 -64.9 -29.5 14.9 10.2 78.1 8 8 A V H X4 S+ 0 0 14 -3,-0.8 3,-1.1 484,-0.2 -2,-0.2 0.820 112.6 52.3 -85.6 -35.6 17.6 12.3 76.4 9 9 A Q H 3< S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.848 108.1 56.1 -65.8 -35.2 20.3 11.5 79.0 10 10 A A T 3< S+ 0 0 75 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.232 77.3 120.4 -83.3 10.6 19.6 7.8 78.4 11 11 A M < - 0 0 47 -3,-1.1 -3,-0.1 1,-0.1 119,-0.0 -0.602 66.6-116.3 -80.0 139.3 20.1 7.7 74.6 12 12 A K - 0 0 99 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.539 28.8-116.2 -74.7 133.6 22.8 5.3 73.4 13 13 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.354 31.3-112.3 -68.6 150.2 25.9 6.9 71.6 14 14 A S - 0 0 54 1,-0.1 4,-0.2 -2,-0.0 338,-0.0 -0.645 18.3-164.7 -88.9 138.0 26.4 6.0 67.9 15 15 A A S >> S+ 0 0 23 -2,-0.3 4,-1.3 2,-0.2 3,-0.8 0.705 91.7 64.2 -88.0 -25.6 29.4 3.9 66.8 16 16 A T H 3> S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 96.8 60.0 -67.9 -24.1 28.9 4.9 63.2 17 17 A V H 34 S+ 0 0 86 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.700 98.6 56.5 -75.2 -23.9 29.7 8.5 64.4 18 18 A A H X> S+ 0 0 45 -3,-0.8 4,-1.0 -4,-0.2 3,-0.8 0.909 114.8 37.1 -73.6 -40.3 33.1 7.3 65.6 19 19 A V H 3X S+ 0 0 6 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.809 115.8 54.1 -78.1 -33.2 34.0 6.0 62.1 20 20 A N H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.338 105.3 51.9 -99.1 16.8 32.3 8.9 60.4 21 21 A A H <4 S+ 0 0 62 -3,-0.8 4,-0.4 0, 0.0 -1,-0.2 0.040 111.9 50.0 -96.3 -37.4 34.3 11.4 62.5 22 22 A K H < S+ 0 0 82 -4,-1.0 -2,-0.2 1,-0.2 3,-0.2 0.775 106.4 55.5 -72.5 -32.9 37.5 9.4 61.2 23 23 A A S >X S+ 0 0 12 -4,-1.8 4,-1.7 1,-0.2 3,-1.1 0.930 105.8 49.7 -59.1 -47.1 36.4 9.5 57.5 24 24 A L H 3> S+ 0 0 106 1,-0.3 4,-1.4 2,-0.3 -1,-0.2 0.542 105.6 55.8 -73.3 -16.8 36.0 13.4 57.3 25 25 A E H 34 S+ 0 0 118 -4,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.358 109.4 46.6 -94.5 -14.6 39.4 14.0 58.8 26 26 A L H <>>S+ 0 0 45 -3,-1.1 5,-2.5 -4,-0.1 4,-0.9 0.678 115.9 47.5 -86.2 -30.9 40.8 11.8 56.0 27 27 A R H <5S+ 0 0 129 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.2 0.840 109.0 51.1 -71.5 -38.2 38.5 13.9 53.7 28 28 A R T <5S+ 0 0 214 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.2 0.566 104.9 59.6 -73.2 -16.3 39.7 17.2 55.3 29 29 A Q T 45S- 0 0 135 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.837 122.7-113.2 -76.3 -28.5 43.2 15.8 54.6 30 30 A G T <5 + 0 0 63 -4,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.344 60.3 159.9 105.1 2.8 42.1 15.7 50.9 31 31 A V < - 0 0 59 -5,-2.5 2,-0.8 1,-0.1 -1,-0.3 -0.367 42.1-127.1 -62.4 129.5 42.2 11.9 50.7 32 32 A D + 0 0 114 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.711 42.2 164.3 -80.8 105.0 40.1 10.6 47.7 33 33 A L - 0 0 8 -2,-0.8 313,-0.2 -10,-0.0 2,-0.2 -0.976 29.6-143.3-132.1 121.4 37.7 8.0 49.2 34 34 A V E -a 346 0A 13 311,-1.3 313,-2.0 -2,-0.4 2,-0.6 -0.501 21.3-136.8 -74.8 149.3 34.5 6.6 47.6 35 35 A A E > +a 347 0A 35 311,-0.2 3,-0.5 -2,-0.2 313,-0.2 -0.898 28.7 177.5-122.0 111.9 31.6 6.0 49.9 36 36 A L T 3 + 0 0 0 311,-1.5 327,-1.4 -2,-0.6 313,-0.4 -0.112 65.5 99.2 -91.6 35.5 29.4 2.9 49.9 37 37 A T T 3 + 0 0 53 310,-0.2 2,-0.6 311,-0.2 -1,-0.2 0.298 47.9 140.8-104.3 8.8 27.6 4.4 52.8 38 38 A A < + 0 0 26 -3,-0.5 327,-0.3 325,-0.4 4,-0.0 -0.404 28.9 179.7 -69.0 112.6 24.6 5.9 50.9 39 39 A G + 0 0 12 -2,-0.6 -1,-0.1 324,-0.1 283,-0.0 -0.042 68.6 53.9 -90.8 28.8 21.2 5.7 52.5 40 40 A E S S- 0 0 44 325,-0.2 194,-0.1 281,-0.1 325,-0.1 -0.974 91.7 -88.0-160.9 150.7 19.5 7.4 49.6 41 41 A P - 0 0 2 0, 0.0 324,-0.1 0, 0.0 198,-0.1 -0.039 23.8-141.1 -56.0 157.3 19.2 7.1 45.7 42 42 A D S S+ 0 0 60 2,-0.1 2,-0.2 324,-0.1 325,-0.1 0.534 76.9 93.7 -97.0 -12.3 21.7 8.8 43.6 43 43 A F S S- 0 0 38 1,-0.1 2,-0.1 323,-0.0 249,-0.0 -0.543 77.1-122.5 -79.5 149.6 19.1 9.9 41.1 44 44 A D - 0 0 60 -2,-0.2 -1,-0.1 1,-0.1 194,-0.1 -0.247 43.1 -75.0 -83.6 175.7 17.4 13.3 41.4 45 45 A T - 0 0 4 395,-0.1 5,-0.2 1,-0.1 192,-0.1 -0.589 60.9-103.6 -77.3 123.7 13.7 13.8 41.8 46 46 A P >> - 0 0 20 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.074 28.8-113.0 -46.1 145.3 12.0 13.3 38.4 47 47 A E H 3> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.678 112.1 60.3 -55.6 -28.9 10.9 16.4 36.5 48 48 A H H 3> S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.817 107.5 46.3 -70.6 -30.9 7.2 15.8 36.8 49 49 A V H <> S+ 0 0 0 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.911 114.8 48.1 -73.7 -42.8 7.4 15.9 40.5 50 50 A K H X S+ 0 0 16 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.834 109.5 52.5 -64.4 -39.0 9.6 19.1 40.3 51 51 A E H X S+ 0 0 107 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.924 106.3 54.2 -64.2 -42.0 7.2 20.7 37.9 52 52 A A H X S+ 0 0 14 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.864 107.6 49.3 -58.6 -40.7 4.4 20.0 40.3 53 53 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.862 110.2 51.6 -67.3 -37.4 6.2 21.8 43.2 54 54 A R H X S+ 0 0 42 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.874 110.4 49.3 -66.0 -39.4 6.9 24.8 40.8 55 55 A R H X S+ 0 0 172 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.894 107.8 52.4 -67.3 -43.1 3.2 24.9 40.0 56 56 A A H X>S+ 0 0 4 -4,-2.2 5,-2.8 2,-0.2 4,-0.5 0.874 110.0 50.7 -61.6 -36.0 2.1 24.8 43.7 57 57 A L H ><5S+ 0 0 3 -4,-1.7 3,-1.4 3,-0.2 -2,-0.2 0.977 112.5 45.2 -63.2 -53.3 4.5 27.7 44.4 58 58 A A H 3<5S+ 0 0 65 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.804 110.6 53.9 -59.6 -34.8 2.9 29.6 41.5 59 59 A Q H 3<5S- 0 0 114 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.606 115.6-120.8 -75.4 -11.7 -0.6 28.7 42.7 60 60 A G T <<5 + 0 0 20 -3,-1.4 2,-1.1 -4,-0.5 -3,-0.2 0.948 54.1 160.3 71.8 43.7 0.5 30.1 46.0 61 61 A K < + 0 0 68 -5,-2.8 -1,-0.2 1,-0.2 212,-0.1 -0.684 30.2 119.8 -96.8 73.9 -0.1 26.9 48.0 62 62 A T + 0 0 0 -2,-1.1 561,-2.8 -3,-0.1 562,-0.4 0.036 45.8 94.4-127.8 23.2 2.2 28.1 50.9 63 63 A K S S- 0 0 54 559,-0.2 206,-0.1 560,-0.2 364,-0.0 -0.628 83.5 -56.3-115.8 171.9 -0.2 28.0 53.8 64 64 A Y - 0 0 55 -2,-0.2 -1,-0.2 1,-0.1 559,-0.1 -0.115 48.2-157.9 -50.0 136.9 -1.1 25.6 56.6 65 65 A A - 0 0 13 202,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.673 35.9 -76.7-112.0 163.8 -2.4 22.1 55.7 66 66 A P > - 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.263 43.1-115.2 -57.7 150.9 -4.5 19.7 57.8 67 67 A P T 3 S+ 0 0 37 0, 0.0 3,-0.1 0, 0.0 197,-0.1 0.841 119.2 47.9 -58.2 -30.4 -2.5 17.9 60.5 68 68 A A T 3 S- 0 0 10 1,-0.3 28,-2.5 198,-0.1 2,-0.1 0.528 126.9 -90.3 -87.5 -6.5 -3.2 14.7 58.7 69 69 A G < - 0 0 1 -3,-1.5 -1,-0.3 26,-0.2 5,-0.1 -0.278 59.7 -46.9 112.9 157.5 -2.2 16.0 55.3 70 70 A I >> - 0 0 9 1,-0.1 4,-1.4 -2,-0.1 3,-1.3 -0.340 53.6-120.3 -60.8 140.7 -4.1 17.7 52.4 71 71 A P H 3> S+ 0 0 67 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.805 112.8 58.6 -48.6 -38.9 -7.4 16.0 51.5 72 72 A E H 3> S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.842 105.7 47.7 -64.3 -34.9 -6.1 15.5 48.0 73 73 A L H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.784 108.9 52.4 -77.4 -32.2 -3.1 13.5 49.2 74 74 A R H X S+ 0 0 53 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.793 108.7 52.1 -73.4 -28.2 -5.1 11.2 51.6 75 75 A E H X S+ 0 0 118 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.968 112.3 43.3 -70.3 -53.5 -7.5 10.3 48.8 76 76 A A H X S+ 0 0 17 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.854 112.9 54.9 -59.1 -39.0 -4.7 9.3 46.4 77 77 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.921 104.5 51.8 -62.0 -44.3 -3.0 7.5 49.3 78 78 A A H X S+ 0 0 6 -4,-1.9 4,-1.4 1,-0.2 11,-0.3 0.957 112.3 48.4 -55.7 -45.4 -6.2 5.5 49.9 79 79 A E H X S+ 0 0 101 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.818 109.8 50.9 -63.1 -38.1 -6.0 4.6 46.1 80 80 A K H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 5,-0.5 0.826 109.1 50.5 -70.3 -36.4 -2.3 3.7 46.3 81 81 A F H X S+ 0 0 0 -4,-2.3 6,-2.8 -3,-0.2 4,-0.5 0.802 116.1 41.9 -73.0 -30.1 -2.8 1.3 49.2 82 82 A R H X S+ 0 0 128 -4,-1.4 4,-1.5 4,-0.2 -2,-0.2 0.963 122.6 34.8 -80.0 -58.0 -5.7 -0.5 47.5 83 83 A R H < S+ 0 0 123 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.899 130.1 32.2 -64.7 -45.9 -4.4 -0.8 44.0 84 84 A E H < S+ 0 0 57 -4,-1.6 -3,-0.2 -5,-0.3 -1,-0.2 0.753 134.5 20.5 -86.8 -25.5 -0.7 -1.3 44.8 85 85 A N H < S- 0 0 6 -4,-0.5 132,-0.4 -5,-0.5 -3,-0.2 0.567 91.6-117.8-122.6 -10.5 -0.9 -3.2 48.1 86 86 A G < + 0 0 41 -4,-1.5 2,-0.7 -5,-0.3 -4,-0.2 0.669 65.6 141.3 80.8 13.5 -4.3 -4.8 48.5 87 87 A L - 0 0 8 -6,-2.8 2,-1.7 -7,-0.1 -1,-0.3 -0.841 46.2-148.8 -94.5 116.3 -5.0 -2.7 51.6 88 88 A S + 0 0 99 -2,-0.7 -6,-0.1 -3,-0.1 -9,-0.1 -0.299 40.3 152.8 -80.3 58.2 -8.7 -1.6 51.7 89 89 A V - 0 0 17 -2,-1.7 -7,-0.1 -11,-0.3 5,-0.1 -0.337 36.7-137.4 -89.8 165.7 -8.2 1.7 53.5 90 90 A T > - 0 0 44 -2,-0.1 3,-1.4 1,-0.0 -1,-0.1 -0.668 33.5-103.7-110.5 166.9 -10.2 4.8 53.4 91 91 A P G > S+ 0 0 37 0, 0.0 3,-0.9 0, 0.0 -14,-0.1 0.771 124.9 58.6 -62.1 -24.3 -8.8 8.4 53.2 92 92 A E G 3 S+ 0 0 102 1,-0.2 -17,-0.0 3,-0.0 -3,-0.0 0.630 101.2 54.9 -77.7 -16.7 -9.7 8.6 56.9 93 93 A E G < S+ 0 0 45 -3,-1.4 155,-1.6 -19,-0.1 2,-0.3 0.074 99.6 81.0-104.5 23.4 -7.4 5.7 57.6 94 94 A T E < -B 247 0B 0 -3,-0.9 2,-0.3 153,-0.2 153,-0.2 -0.870 56.5-168.1-127.2 155.6 -4.4 7.3 55.9 95 95 A I E -B 246 0B 0 151,-2.0 151,-1.9 -2,-0.3 2,-0.4 -0.984 16.5-145.1-150.4 138.3 -1.9 9.9 57.1 96 96 A V E +B 245 0B 0 -28,-2.5 2,-0.3 -2,-0.3 149,-0.3 -0.849 30.8 179.2 -98.3 131.5 0.8 12.2 55.5 97 97 A T E -B 244 0B 0 147,-2.9 147,-2.3 -2,-0.4 2,-2.1 -0.915 43.9 -91.4-132.7 162.1 3.8 12.6 57.8 98 98 A V S > S- 0 0 4 -2,-0.3 4,-0.9 145,-0.2 145,-0.3 -0.529 99.3 -38.5 -72.6 80.4 7.2 14.5 57.7 99 99 A G H > S- 0 0 0 -2,-2.1 4,-0.9 143,-0.4 145,-0.4 -0.048 78.8 -77.5 85.0 168.3 9.0 11.4 56.3 100 100 A G H > S+ 0 0 10 143,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.695 128.8 67.9 -72.9 -20.3 8.6 7.8 57.2 101 101 A S H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 99.4 46.1 -63.0 -47.9 10.6 8.6 60.3 102 102 A Q H X S+ 0 0 3 -4,-0.9 4,-2.1 1,-0.2 5,-0.3 0.778 105.7 59.3 -69.7 -29.1 7.8 10.8 61.7 103 103 A A H X S+ 0 0 0 -4,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.901 111.6 42.6 -65.9 -35.5 5.1 8.2 60.9 104 104 A L H X S+ 0 0 2 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.867 114.1 49.7 -76.8 -38.3 7.1 5.8 63.2 105 105 A F H X S+ 0 0 3 -4,-2.1 4,-2.2 541,-0.3 5,-0.2 0.982 111.7 46.6 -63.8 -58.0 7.8 8.3 65.9 106 106 A N H X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.775 111.3 56.5 -54.5 -28.8 4.2 9.5 66.3 107 107 A L H >X S+ 0 0 0 -4,-0.8 4,-1.1 -5,-0.3 3,-0.7 0.951 107.3 43.4 -70.6 -53.2 3.1 5.9 66.3 108 108 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 3,-0.2 0.841 114.5 53.2 -63.5 -28.1 5.2 4.7 69.2 109 109 A Q H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.719 111.3 46.3 -76.3 -23.4 4.2 7.9 71.0 110 110 A A H << S+ 0 0 0 -4,-0.9 278,-1.4 -3,-0.7 -2,-0.2 0.524 125.8 26.8 -96.1 -11.6 0.5 7.1 70.3 111 111 A I H < S+ 0 0 0 -4,-1.1 2,-0.3 276,-0.3 -2,-0.2 0.684 98.8 86.9-120.9 -26.1 0.7 3.4 71.4 112 112 A L < - 0 0 0 -4,-2.3 278,-0.2 -5,-0.3 25,-0.1 -0.600 46.5-173.7 -87.2 132.5 3.5 2.9 74.0 113 113 A D > - 0 0 21 -2,-0.3 3,-2.6 275,-0.1 22,-0.1 -0.870 51.4 -76.0-113.4 148.7 3.1 3.5 77.7 114 114 A P T 3 S+ 0 0 86 0, 0.0 23,-0.2 0, 0.0 22,-0.1 -0.195 123.1 24.7 -48.8 133.9 6.1 3.3 79.9 115 115 A G T 3 S+ 0 0 41 21,-2.6 22,-0.2 1,-0.3 2,-0.1 0.138 87.3 138.0 97.4 -18.6 7.2 -0.3 80.3 116 116 A D < - 0 0 26 -3,-2.6 22,-2.1 1,-0.1 2,-0.3 -0.401 48.5-129.9 -66.5 132.8 5.5 -1.6 77.1 117 117 A E E -cd 138 165B 24 47,-2.7 49,-2.9 20,-0.2 50,-1.4 -0.626 18.6-168.3 -90.6 139.2 7.5 -4.0 75.0 118 118 A V E -cd 139 167B 0 20,-2.4 22,-2.6 -2,-0.3 2,-0.6 -0.993 16.2-141.3-126.4 121.1 8.3 -3.8 71.3 119 119 A I E -cd 140 168B 0 48,-2.2 50,-2.0 -2,-0.5 2,-0.4 -0.752 21.5-171.5 -84.7 120.0 9.8 -6.8 69.5 120 120 A V E -cd 141 169B 0 20,-1.6 22,-2.9 -2,-0.6 2,-0.5 -0.890 17.1-134.0-114.4 145.7 12.4 -5.9 67.0 121 121 A L E -c 142 0B 10 48,-0.7 22,-0.2 -2,-0.4 20,-0.1 -0.866 37.0-102.9 -99.1 129.1 14.0 -8.1 64.4 122 122 A S E S+c 143 0B 2 20,-2.5 22,-2.3 -2,-0.5 2,-0.2 -0.791 101.1 48.8-109.3 148.5 17.8 -7.9 64.0 123 123 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.464 91.5 177.9 -60.8 142.2 19.7 -6.7 62.1 124 124 A Y - 0 0 12 230,-2.0 2,-0.3 -2,-0.2 -2,-0.1 -0.882 37.7 -93.8-125.4 155.3 17.5 -3.6 62.5 125 125 A W > - 0 0 15 -2,-0.3 3,-2.3 50,-0.2 229,-0.0 -0.535 44.6-117.3 -67.9 125.2 17.5 -0.1 61.2 126 126 A V T 3> S+ 0 0 37 -2,-0.3 4,-0.8 1,-0.3 -1,-0.1 0.676 106.3 55.5 -32.1 -40.9 19.2 2.1 63.8 127 127 A S H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.637 86.7 77.1 -78.7 -16.9 16.2 4.3 64.7 128 128 A Y H <> S+ 0 0 7 -3,-2.3 4,-1.3 2,-0.2 3,-0.3 0.978 99.4 40.1 -57.8 -61.1 13.7 1.6 65.7 129 129 A P H >> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.919 115.3 54.4 -55.6 -41.9 15.1 0.8 69.2 130 130 A E H 3< S+ 0 0 25 -4,-0.8 4,-0.5 1,-0.2 -2,-0.2 0.847 107.6 47.7 -60.5 -40.6 15.8 4.5 69.8 131 131 A M H 3< S+ 0 0 1 -4,-2.1 4,-0.4 -3,-0.3 -1,-0.2 0.707 112.0 51.1 -73.9 -24.1 12.2 5.6 69.1 132 132 A V H X<>S+ 0 0 0 -4,-1.3 5,-1.9 -3,-0.5 3,-0.5 0.846 110.1 47.6 -78.4 -42.4 10.8 2.8 71.3 133 133 A R T 3<5S+ 0 0 102 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.554 105.1 62.2 -76.1 -10.4 13.0 3.8 74.3 134 134 A F T 3 5S+ 0 0 8 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.679 102.2 49.8 -87.0 -22.3 12.0 7.4 73.8 135 135 A A T < 5S- 0 0 1 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.217 126.1-100.5 -98.5 13.9 8.3 6.6 74.5 136 136 A G T 5S+ 0 0 34 -3,-0.3 -21,-2.6 1,-0.3 -3,-0.2 0.432 82.4 131.4 84.4 -2.4 9.3 4.8 77.7 137 137 A G < - 0 0 5 -5,-1.9 2,-0.4 -23,-0.2 -1,-0.3 -0.291 53.1-122.0 -80.4 167.0 9.0 1.4 76.0 138 138 A V E -c 117 0B 61 -22,-2.1 -20,-2.4 -3,-0.1 2,-0.4 -0.910 17.7-124.3-115.0 140.2 11.5 -1.5 76.2 139 139 A V E -c 118 0B 31 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.681 19.6-173.5 -86.1 129.3 13.2 -3.2 73.3 140 140 A V E -c 119 0B 34 -22,-2.6 -20,-1.6 -2,-0.4 2,-0.4 -0.876 16.1-160.4-120.9 91.0 13.0 -7.0 72.9 141 141 A E E -c 120 0B 75 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.628 8.9-168.7 -85.2 130.1 15.3 -8.0 70.1 142 142 A V E -c 121 0B 12 -22,-2.9 -20,-2.5 -2,-0.4 2,-0.3 -0.934 23.8-123.2-111.4 135.3 14.9 -11.3 68.3 143 143 A E E -c 122 0B 94 -2,-0.4 2,-0.4 -22,-0.2 10,-0.3 -0.645 14.8-160.1 -89.7 136.8 17.6 -12.4 65.9 144 144 A T - 0 0 9 -22,-2.3 5,-0.1 -2,-0.3 -23,-0.0 -0.902 28.8-126.1-106.0 138.7 17.3 -13.3 62.2 145 145 A L > > - 0 0 47 6,-0.5 5,-2.5 -2,-0.4 3,-0.5 -0.763 14.2-147.5-104.9 141.6 20.2 -15.5 60.9 146 146 A P G > 5S+ 0 0 39 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.860 108.7 54.1 -60.2 -41.9 22.6 -15.1 58.0 147 147 A E G 3 5S+ 0 0 151 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.775 112.1 46.6 -65.5 -23.6 22.7 -18.8 57.6 148 148 A E G X 5S- 0 0 83 -3,-0.5 3,-0.9 3,-0.0 -1,-0.3 0.265 122.2-108.2-100.0 8.3 18.9 -18.5 57.4 149 149 A G T < 5 - 0 0 29 -3,-1.6 -2,-0.1 1,-0.2 -5,-0.0 0.829 58.8 -76.8 70.1 31.8 19.1 -15.6 54.9 150 150 A F T 3 - 0 0 47 -10,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.858 9.8-149.4 -92.8 119.7 11.7 -17.5 62.2 154 154 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.754 95.8 57.3 -58.9 -29.3 8.1 -17.1 63.6 155 155 A E H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -2,-0.0 0.919 105.2 47.8 -69.9 -46.8 8.8 -19.6 66.4 156 156 A R H 4 S+ 0 0 74 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.785 114.4 49.6 -63.6 -27.9 11.8 -17.6 67.7 157 157 A V H >X S+ 0 0 0 -4,-1.3 3,-0.9 1,-0.2 4,-0.5 0.855 104.7 57.2 -77.9 -36.3 9.5 -14.6 67.6 158 158 A R H 3< S+ 0 0 90 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.773 100.1 59.5 -65.4 -27.8 6.7 -16.4 69.4 159 159 A R T 3< S+ 0 0 175 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 99.9 54.9 -74.6 -22.8 9.0 -17.1 72.4 160 160 A A T <4 S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.605 81.1 108.9 -87.6 -11.7 9.7 -13.4 73.1 161 161 A I < + 0 0 26 -4,-0.5 -3,-0.0 -3,-0.5 -4,-0.0 -0.423 43.3 170.4 -70.2 133.7 6.0 -12.4 73.4 162 162 A T > - 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