==== 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 19-DEC-06 2E54 . COMPND 2 MOLECULE: ACETYLORNITHINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 31.7 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 2 1 1 1 0 0 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 1 A M 0 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 1.2 52.2 15.2 51.7 2 2 A Y + 0 0 214 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.409 360.0 93.9-105.9 1.7 51.5 11.5 51.0 3 3 A L S S- 0 0 120 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.754 80.8-110.7 -97.7 142.8 48.0 11.8 49.5 4 4 A M - 0 0 161 -2,-0.3 2,-1.6 1,-0.1 3,-0.4 -0.353 34.0-113.3 -63.3 150.5 47.3 12.1 45.8 5 5 A N S S+ 0 0 157 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 -0.505 74.5 123.8 -89.3 70.5 46.0 15.5 44.9 6 6 A T + 0 0 94 -2,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.543 55.8 70.8-104.4 -9.1 42.5 14.5 43.8 7 7 A Y - 0 0 152 -3,-0.4 2,-0.7 2,-0.0 -1,-0.0 -0.862 62.8-144.2-119.9 149.1 40.4 16.7 46.1 8 8 A S - 0 0 104 -2,-0.3 2,-0.2 -3,-0.0 -3,-0.0 -0.925 42.0-175.3-102.4 108.1 39.5 20.4 46.6 9 9 A R - 0 0 183 -2,-0.7 -2,-0.0 2,-0.0 0, 0.0 -0.699 32.7-120.1-112.8 161.4 39.4 20.8 50.4 10 10 A F - 0 0 66 -2,-0.2 2,-2.3 2,-0.1 331,-0.0 -0.748 47.3-104.5 -88.8 141.9 38.5 23.3 53.0 11 11 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.397 81.4 107.1 -72.4 73.5 41.6 23.9 55.2 12 12 A A - 0 0 33 -2,-2.3 2,-0.6 2,-0.0 -2,-0.1 -0.993 53.6-152.0-151.7 142.5 40.5 22.0 58.3 13 13 A T - 0 0 84 -2,-0.3 12,-0.8 0, 0.0 2,-0.4 -0.972 21.8-157.6-114.3 115.5 41.5 18.7 60.0 14 14 A F E +A 24 0A 67 -2,-0.6 10,-0.2 10,-0.2 3,-0.1 -0.777 23.8 164.5 -99.6 140.4 38.6 17.2 62.0 15 15 A V E + 0 0 95 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.498 62.6 30.8-128.4 -11.8 39.1 14.8 64.8 16 16 A Y E -A 23 0A 113 7,-1.3 7,-3.6 2,-0.0 2,-0.3 -0.996 55.4-176.3-151.9 146.2 35.8 14.7 66.8 17 17 A G E +A 22 0A 6 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.993 6.5 179.1-144.5 149.9 32.1 15.1 66.1 18 18 A K E > -A 21 0A 91 3,-2.6 3,-1.9 -2,-0.3 27,-0.2 -0.882 63.6 -44.1-152.5 115.4 28.9 15.1 68.1 19 19 A G B 3 S-D 44 0B 26 25,-2.8 25,-2.8 -2,-0.3 347,-0.1 -0.425 125.2 -12.9 65.7-128.5 25.5 15.6 66.5 20 20 A S T 3 S+ 0 0 3 23,-0.2 12,-2.9 -2,-0.2 2,-0.4 0.408 122.5 85.3 -87.3 2.7 25.5 18.4 64.0 21 21 A W E < -AB 18 31A 66 -3,-1.9 -3,-2.6 10,-0.2 2,-0.4 -0.838 52.5-171.1-112.6 145.2 28.9 19.7 65.1 22 22 A I E -AB 17 30A 21 8,-2.2 8,-2.5 -2,-0.4 2,-0.3 -0.979 13.4-150.8-130.5 142.7 32.4 18.7 64.1 23 23 A Y E -AB 16 29A 66 -7,-3.6 -8,-2.5 -2,-0.4 -7,-1.3 -0.894 4.0-139.3-121.6 146.6 35.6 19.8 65.8 24 24 A D E > -A 14 0A 25 4,-1.5 3,-1.8 -2,-0.3 -10,-0.2 -0.242 46.9 -82.3 -88.7-177.7 39.2 20.4 64.8 25 25 A E T 3 S+ 0 0 143 -12,-0.8 -11,-0.1 1,-0.3 -1,-0.1 0.705 129.8 49.2 -58.9 -23.0 42.4 19.6 66.8 26 26 A K T 3 S- 0 0 186 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.454 120.5-104.2 -97.5 -1.7 42.1 22.8 68.8 27 27 A G < + 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.538 63.3 157.3 93.3 6.4 38.4 22.3 69.7 28 28 A N - 0 0 74 1,-0.1 -4,-1.5 -5,-0.0 2,-0.4 -0.512 37.3-132.5 -68.4 130.5 37.0 24.9 67.3 29 29 A A E -B 23 0A 35 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.730 21.2-170.3 -92.7 129.9 33.3 24.0 66.6 30 30 A Y E -B 22 0A 18 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.9 -0.955 25.1-128.5-119.0 134.7 31.9 23.9 63.1 31 31 A L E -Bc 21 348A 6 316,-3.0 318,-2.7 -2,-0.4 2,-1.2 -0.740 29.5-144.1 -82.2 110.3 28.2 23.5 62.3 32 32 A D E + c 0 349A 6 -12,-2.9 3,-0.3 -2,-0.9 318,-0.1 -0.630 37.1 159.0 -85.0 93.3 28.3 20.6 59.9 33 33 A F + 0 0 0 316,-1.3 328,-3.1 -2,-1.2 318,-0.3 0.000 67.4 72.6 -99.2 28.2 25.6 21.1 57.2 34 34 A T S >> S- 0 0 19 316,-0.2 4,-2.2 326,-0.2 3,-1.1 0.676 79.0-153.1-106.0 -29.5 27.5 18.7 54.8 35 35 A S H 3>>S- 0 0 2 -3,-0.3 5,-2.7 1,-0.3 4,-2.6 0.812 74.5 -63.6 57.0 27.8 26.6 15.5 56.6 36 36 A G H 345S- 0 0 35 3,-0.2 -1,-0.3 2,-0.2 209,-0.0 0.887 107.8 -42.8 63.6 34.5 29.9 14.2 55.1 37 37 A I H <45S- 0 0 69 -3,-1.1 -2,-0.2 324,-0.2 -1,-0.2 0.979 118.6 -41.0 66.7 63.0 28.1 14.8 51.8 38 38 A A H <5S+ 0 0 4 -4,-2.2 203,-0.8 323,-0.4 -2,-0.2 0.701 119.3 103.9 62.6 26.8 24.7 13.3 52.7 39 39 A V T <5 + 0 0 30 -4,-2.6 2,-2.3 -5,-0.3 205,-0.3 0.852 56.9 69.1-101.3 -47.4 26.2 10.4 54.6 40 40 A N > < + 0 0 23 -5,-2.7 3,-2.0 1,-0.2 -1,-0.2 -0.405 55.6 164.9 -80.1 69.6 25.8 11.1 58.4 41 41 A V T 3 S+ 0 0 3 -2,-2.3 323,-1.7 1,-0.3 324,-0.5 0.793 77.9 39.2 -54.7 -35.7 22.1 10.8 58.5 42 42 A L T 3 S- 0 0 3 1,-0.4 -1,-0.3 -3,-0.2 -23,-0.2 0.202 115.8-116.1-101.8 14.5 22.1 10.5 62.3 43 43 A G X - 0 0 6 -3,-2.0 3,-0.6 -25,-0.1 -1,-0.4 -0.202 54.7 -34.9 77.8-176.8 24.8 13.1 62.8 44 44 A H B 3 S-D 19 0B 33 -25,-2.8 -25,-2.8 1,-0.2 -23,-0.1 -0.551 120.6 -3.0 -83.3 145.6 28.2 12.5 64.4 45 45 A S T 3 S- 0 0 49 -2,-0.2 -1,-0.2 -27,-0.2 -2,-0.1 0.829 76.4-169.2 44.6 47.6 28.7 9.9 67.2 46 46 A H <> - 0 0 33 -3,-0.6 4,-2.9 1,-0.1 5,-0.3 -0.489 24.9-127.8 -65.4 127.5 25.0 9.0 67.5 47 47 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.851 104.8 45.5 -44.7 -47.5 24.8 6.9 70.8 48 48 A R H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.886 115.5 45.1 -69.4 -39.6 22.9 4.0 69.1 49 49 A L H > S+ 0 0 11 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.916 114.3 49.3 -70.4 -42.1 25.1 3.8 66.1 50 50 A V H X S+ 0 0 50 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 112.8 47.6 -62.3 -43.5 28.3 4.1 68.1 51 51 A E H X S+ 0 0 110 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.883 110.9 50.8 -65.9 -39.0 27.1 1.4 70.5 52 52 A A H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.909 112.0 47.9 -65.1 -41.7 26.1 -1.0 67.7 53 53 A I H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 113.5 46.6 -64.2 -47.2 29.5 -0.5 66.1 54 54 A K H X S+ 0 0 128 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.880 113.8 48.8 -63.3 -39.5 31.4 -1.1 69.3 55 55 A D H >< S+ 0 0 49 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.942 114.5 43.8 -66.5 -48.4 29.3 -4.2 70.2 56 56 A Q H >X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 3,-1.8 0.874 105.6 63.3 -66.0 -36.7 29.7 -5.8 66.7 57 57 A A H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 102.5 49.2 -58.8 -31.6 33.4 -5.0 66.6 58 58 A E T << S+ 0 0 160 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.485 119.6 39.3 -87.2 -1.2 34.0 -7.3 69.6 59 59 A K T <4 S- 0 0 129 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.813 126.6 -32.3-108.4 -63.6 32.0 -10.1 68.1 60 60 A L < + 0 0 77 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.875 44.1 173.4-165.3 127.8 32.6 -10.4 64.3 61 61 A I S S+ 0 0 88 1,-0.3 213,-1.1 -2,-0.3 214,-0.3 0.711 74.6 14.5-111.3 -26.0 33.4 -7.8 61.6 62 62 A H + 0 0 77 210,-0.2 -1,-0.3 211,-0.1 210,-0.1 -0.935 46.5 150.8-154.7 126.5 34.1 -9.9 58.5 63 63 A C - 0 0 31 -2,-0.3 3,-0.2 -3,-0.1 -1,-0.1 0.485 55.1-121.0-126.7 -11.7 33.5 -13.5 57.6 64 64 A S > - 0 0 29 1,-0.1 3,-1.3 204,-0.1 204,-0.1 0.050 32.1 -78.1 82.6 164.0 33.0 -13.2 53.8 65 65 A N T 3 S+ 0 0 78 202,-0.3 -1,-0.1 1,-0.3 204,-0.1 0.263 111.4 90.4 -83.5 12.0 30.1 -14.2 51.6 66 66 A L T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.678 98.6 29.7 -70.6 -20.2 31.1 -17.8 51.8 67 67 A F S < S- 0 0 125 -3,-1.3 2,-0.3 -4,-0.0 -4,-0.1 -0.761 87.3-104.0-130.7 177.1 28.8 -17.9 54.9 68 68 A W - 0 0 210 -2,-0.2 2,-0.3 -5,-0.0 -2,-0.0 -0.743 28.8-169.4-100.5 154.0 25.7 -16.3 56.3 69 69 A N > - 0 0 12 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.984 26.0-125.0-140.1 150.0 25.7 -13.7 59.0 70 70 A R H > S+ 0 0 176 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.906 104.2 52.8 -65.2 -46.3 22.8 -12.2 61.0 71 71 A P H > S+ 0 0 14 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.920 109.7 51.5 -58.3 -38.8 23.2 -8.5 60.5 72 72 A Q H > S+ 0 0 37 199,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 112.3 45.6 -62.0 -44.3 23.3 -9.1 56.7 73 73 A M H X S+ 0 0 69 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.915 114.0 48.9 -65.6 -42.6 20.1 -11.1 56.8 74 74 A E H X S+ 0 0 78 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 111.9 47.9 -65.4 -41.3 18.3 -8.6 59.1 75 75 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.886 109.6 52.9 -68.3 -37.1 19.3 -5.6 56.9 76 76 A A H X S+ 0 0 27 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.923 110.8 47.8 -63.5 -41.9 18.1 -7.4 53.8 77 77 A E H X S+ 0 0 107 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.927 112.4 48.9 -64.5 -43.6 14.8 -8.1 55.4 78 78 A L H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.894 111.8 48.4 -63.9 -40.5 14.4 -4.5 56.6 79 79 A L H < S+ 0 0 0 -4,-2.6 6,-0.3 2,-0.2 4,-0.2 0.906 113.9 46.5 -67.3 -40.1 15.3 -3.0 53.2 80 80 A S H ><>S+ 0 0 27 -4,-2.2 5,-1.7 -5,-0.2 3,-1.4 0.959 114.6 46.2 -65.7 -50.5 12.9 -5.3 51.4 81 81 A K H 3<5S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 112.8 50.1 -63.1 -31.4 10.0 -4.7 53.8 82 82 A N T 3<5S+ 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.352 118.2 35.4 -92.0 7.3 10.5 -0.9 53.8 83 83 A T T < 5S- 0 0 19 -3,-1.4 -3,-0.1 -4,-0.2 140,-0.0 -0.239 122.8 -49.0-128.1-141.3 10.6 -0.6 50.0 84 84 A F T 5S- 0 0 46 -2,-0.1 -3,-0.1 -5,-0.1 -4,-0.1 0.168 83.2-105.1 -88.8 21.1 8.7 -2.4 47.2 85 85 A G S S- 0 0 57 154,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.907 78.6-100.0-149.3 172.9 29.7 2.2 48.0 94 94 A G H > S+ 0 0 16 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 120.7 49.4 -66.0 -44.8 27.4 4.1 45.8 95 95 A T H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 111.1 50.5 -64.9 -36.3 29.4 3.5 42.7 96 96 A E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 108.5 52.5 -67.4 -37.7 29.6 -0.2 43.4 97 97 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.927 111.3 46.6 -63.0 -43.0 25.8 -0.3 43.9 98 98 A N H X S+ 0 0 1 -4,-2.3 4,-2.5 29,-0.2 -1,-0.2 0.845 107.9 55.9 -68.8 -31.4 25.3 1.3 40.6 99 99 A E H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 107.8 49.4 -64.6 -40.7 27.8 -1.0 38.9 100 100 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.902 110.1 51.6 -63.1 -40.2 25.7 -3.9 40.2 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.902 108.5 50.5 -62.8 -42.0 22.6 -2.2 38.8 102 102 A I H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.919 111.9 47.8 -62.1 -43.1 24.3 -1.8 35.4 103 103 A K H X S+ 0 0 89 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.888 110.4 51.4 -66.0 -38.8 25.2 -5.5 35.4 104 104 A I H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.917 111.8 48.0 -63.2 -42.2 21.6 -6.5 36.5 105 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 110.8 51.0 -64.5 -43.9 20.3 -4.4 33.6 106 106 A R H X S+ 0 0 50 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.921 112.0 45.4 -61.9 -44.8 22.7 -6.0 31.1 107 107 A K H X S+ 0 0 54 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.885 111.2 54.0 -67.9 -35.4 21.9 -9.5 32.0 108 108 A Y H >< S+ 0 0 12 -4,-2.1 3,-1.3 -5,-0.2 4,-0.4 0.944 108.1 50.1 -60.8 -48.3 18.1 -8.7 31.9 109 109 A G H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-1.9 0.887 104.0 57.1 -58.4 -42.0 18.5 -7.4 28.4 110 110 A K H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.599 90.4 74.1 -69.8 -10.3 20.3 -10.4 27.1 111 111 A K T << S+ 0 0 129 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.771 113.1 25.3 -66.2 -25.0 17.4 -12.5 28.3 112 112 A K T <4 S- 0 0 95 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.768 134.8 -7.9-107.5 -41.9 15.5 -11.1 25.3 113 113 A S >< - 0 0 47 -4,-2.3 3,-1.0 3,-0.2 -1,-0.3 -0.984 48.2-128.9-160.6 147.6 18.2 -10.1 22.7 114 114 A E T 3 S+ 0 0 143 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.1 0.661 112.7 54.9 -70.7 -15.2 22.0 -9.8 22.3 115 115 A K T 3 S+ 0 0 142 1,-0.1 2,-1.8 -6,-0.1 3,-0.4 0.558 81.5 94.3 -92.9 -10.5 21.5 -6.2 21.0 116 116 A K < + 0 0 8 -3,-1.0 -3,-0.2 -7,-0.2 56,-0.2 -0.515 50.2 105.0 -84.7 72.9 19.5 -5.1 24.1 117 117 A Y + 0 0 99 -2,-1.8 -1,-0.2 54,-0.4 55,-0.2 0.306 40.1 123.7-131.3 4.3 22.4 -3.6 26.1 118 118 A R E -f 172 0C 62 53,-2.3 55,-2.9 -3,-0.4 56,-1.1 -0.444 40.8-162.7 -72.3 141.9 21.8 0.1 25.7 119 119 A I E -fg 174 153C 0 33,-2.4 35,-1.8 53,-0.2 2,-0.4 -0.992 3.0-154.0-128.9 131.5 21.5 2.2 28.9 120 120 A L E +fg 175 154C 0 54,-2.4 56,-3.3 -2,-0.4 2,-0.3 -0.863 19.8 164.1-107.1 138.6 20.1 5.7 29.1 121 121 A S E - g 0 155C 0 33,-1.7 35,-1.7 -2,-0.4 2,-0.2 -0.924 36.5 -90.7-143.5 167.0 21.0 8.2 31.8 122 122 A A E > - g 0 156C 1 54,-0.5 3,-1.8 -2,-0.3 16,-0.6 -0.515 35.9-105.1 -88.9 149.6 20.6 11.9 32.2 123 123 A H B 3 S+k 138 0D 84 33,-2.5 35,-0.3 1,-0.3 16,-0.2 -0.434 110.2 17.5 -62.6 143.6 22.9 14.8 31.2 124 124 A N T 3 S+ 0 0 84 14,-2.9 60,-0.3 1,-0.2 -1,-0.3 0.579 94.8 139.5 66.9 11.8 24.6 16.1 34.4 125 125 A S < - 0 0 1 -3,-1.8 2,-0.4 11,-0.2 -1,-0.2 -0.318 41.6-149.0 -76.5 167.0 23.7 13.0 36.3 126 126 A F + 0 0 45 11,-0.2 56,-0.2 -3,-0.1 57,-0.1 -0.912 31.3 152.8-142.8 116.9 26.2 11.5 38.7 127 127 A H - 0 0 4 6,-0.4 -29,-0.2 1,-0.4 2,-0.2 0.425 61.4 -63.4-122.6 -2.6 26.3 7.8 39.4 128 128 A G - 0 0 4 5,-0.2 -1,-0.4 1,-0.1 9,-0.3 -0.665 34.6-100.0 138.3 167.1 29.9 7.1 40.4 129 129 A R S S+ 0 0 140 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.527 81.0 98.3-101.8 -13.9 33.6 7.1 39.5 130 130 A T S > S- 0 0 60 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.460 92.8 -98.4 -71.8 156.9 34.3 3.4 38.6 131 131 A L H > S+ 0 0 94 1,-0.2 4,-1.1 2,-0.2 19,-0.5 0.759 120.1 46.1 -52.5 -35.8 34.2 2.9 34.8 132 132 A G H >> S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.970 119.2 40.8 -70.1 -52.1 30.7 1.5 34.5 133 133 A S H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -6,-0.4 0.813 111.4 58.8 -63.8 -30.1 29.1 4.2 36.8 134 134 A L H 3< S+ 0 0 5 -4,-2.9 5,-0.4 2,-0.2 -1,-0.2 0.802 104.7 49.7 -70.3 -29.5 31.4 6.8 35.2 135 135 A T H << S+ 0 0 6 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.864 110.4 50.2 -75.9 -35.4 29.8 6.0 31.8 136 136 A A H < S+ 0 0 0 -4,-1.7 2,-0.5 -5,-0.1 -2,-0.2 0.853 91.1 93.4 -67.3 -33.9 26.4 6.3 33.3 137 137 A T S < S- 0 0 0 -4,-1.9 2,-2.1 -9,-0.3 -11,-0.2 -0.474 77.1-143.4 -63.3 112.4 27.5 9.7 34.7 138 138 A G B +k 123 0D 2 -16,-0.6 -14,-2.9 -2,-0.5 -1,-0.1 -0.238 65.6 105.6 -77.7 53.5 26.3 12.2 32.1 139 139 A Q >> - 0 0 19 -2,-2.1 3,-1.7 -5,-0.4 4,-0.6 -0.815 50.0-165.9-138.7 97.5 29.3 14.5 32.5 140 140 A P H >> S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 3,-1.4 0.802 85.7 65.7 -47.0 -40.9 32.0 14.5 29.8 141 141 A K H 34 S+ 0 0 146 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.806 104.0 45.9 -57.4 -30.8 34.6 16.4 31.9 142 142 A Y H <4 S+ 0 0 63 -3,-1.7 -1,-0.3 1,-0.1 4,-0.1 0.582 118.7 43.1 -87.6 -10.1 34.8 13.5 34.3 143 143 A Q H XX S+ 0 0 11 -3,-1.4 3,-2.0 -4,-0.6 4,-0.6 0.791 89.0 82.5-102.2 -37.9 35.1 11.0 31.5 144 144 A K G >< S+ 0 0 140 -4,-2.8 3,-0.9 1,-0.3 -3,-0.1 0.793 89.8 49.5 -40.4 -52.1 37.5 12.5 28.9 145 145 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.700 116.0 45.6 -66.2 -15.5 40.9 11.5 30.5 146 146 A F G <4 S+ 0 0 116 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.422 91.6 164.3-110.4 0.5 39.7 7.9 30.8 147 147 A E << + 0 0 91 -3,-0.9 2,-0.1 -4,-0.6 3,-0.0 -0.198 43.5 65.8 -64.0 157.1 38.1 7.1 27.5 148 148 A P S S+ 0 0 125 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.435 73.1 173.3 -75.7 143.3 37.2 4.8 25.9 149 149 A L - 0 0 31 1,-0.2 -17,-0.1 -2,-0.1 -18,-0.0 -0.178 45.0 -43.2-100.8-163.0 34.5 3.9 28.4 150 150 A V > - 0 0 44 -19,-0.5 3,-0.6 -2,-0.1 -1,-0.2 -0.465 61.4-128.0 -70.5 128.6 31.7 1.4 28.3 151 151 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 -0.290 81.2 49.9 -71.4 159.3 29.8 1.2 25.0 152 152 A G T 3 S+ 0 0 19 1,-0.3 -33,-2.4 -34,-0.1 2,-0.3 0.473 73.4 124.0 96.0 1.8 26.0 1.5 24.7 153 153 A F E < +g 119 0C 28 -3,-0.6 2,-0.3 -35,-0.2 -1,-0.3 -0.767 29.6 175.4-100.2 143.1 25.2 4.5 26.8 154 154 A E E -g 120 0C 66 -35,-1.8 -33,-1.7 -2,-0.3 2,-0.3 -0.992 19.5-134.3-142.0 146.2 23.3 7.6 25.6 155 155 A Y E -g 121 0C 46 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.786 15.3-172.7-109.9 148.5 22.2 10.7 27.5 156 156 A F E -g 122 0C 0 -35,-1.7 -33,-2.5 -2,-0.3 2,-0.3 -0.879 38.0 -90.3-129.3 160.2 18.9 12.6 27.6 157 157 A E > - 0 0 105 -2,-0.3 3,-1.9 -35,-0.2 7,-0.2 -0.571 46.6-110.0 -76.4 130.4 18.0 15.9 29.3 158 158 A F T 3 S+ 0 0 21 -35,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.343 101.0 9.3 -60.0 134.8 16.7 15.5 32.8 159 159 A N T 3 S+ 0 0 50 1,-0.2 2,-0.9 31,-0.1 -1,-0.3 0.531 95.7 123.3 71.0 8.7 12.9 16.3 33.1 160 160 A N <> - 0 0 34 -3,-1.9 4,-2.1 1,-0.2 5,-0.2 -0.824 37.7-177.3-104.4 95.7 12.6 16.4 29.3 161 161 A V H > S+ 0 0 6 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.911 82.1 52.7 -56.4 -47.1 9.9 13.8 28.4 162 162 A E H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 109.5 48.2 -57.9 -44.3 10.3 14.4 24.7 163 163 A D H > S+ 0 0 15 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.896 111.9 48.7 -66.6 -40.5 14.0 13.8 24.7 164 164 A L H >X S+ 0 0 0 -4,-2.1 3,-0.7 -7,-0.2 4,-0.5 0.925 111.1 52.2 -64.4 -42.7 13.8 10.6 26.8 165 165 A R H >< S+ 0 0 118 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.910 105.6 52.7 -58.7 -47.2 11.1 9.4 24.4 166 166 A R H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.697 109.5 50.1 -65.3 -20.0 13.1 9.9 21.2 167 167 A K H << S+ 0 0 39 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.479 88.0 103.4 -98.5 -2.3 16.1 8.0 22.6 168 168 A M << + 0 0 12 -3,-1.2 2,-0.3 -4,-0.5 33,-0.0 -0.509 41.5 154.1 -79.4 147.4 14.0 4.9 23.7 169 169 A S > - 0 0 35 -2,-0.2 3,-1.8 35,-0.1 35,-0.0 -0.957 59.0 -95.1-162.0 167.6 14.2 1.8 21.6 170 170 A E T 3 S+ 0 0 150 -2,-0.3 -2,-0.0 1,-0.3 -55,-0.0 0.698 118.8 66.5 -65.2 -17.7 13.7 -2.0 22.0 171 171 A D T 3 S+ 0 0 50 -55,-0.1 -53,-2.3 -54,-0.1 2,-0.5 0.419 76.8 104.4 -84.7 2.7 17.5 -2.3 22.4 172 172 A V E < +f 118 0C 0 -3,-1.8 -53,-0.2 -55,-0.2 3,-0.1 -0.730 43.3 180.0 -87.0 127.0 17.4 -0.3 25.7 173 173 A C E + 0 0 0 -55,-2.9 34,-2.5 -2,-0.5 2,-0.3 0.632 65.4 5.8 -99.3 -16.6 17.8 -2.5 28.8 174 174 A A E -fh 119 207C 0 -56,-1.1 -54,-2.4 32,-0.3 2,-0.4 -0.988 49.0-147.4-165.6 154.6 17.6 0.3 31.4 175 175 A V E -fh 120 208C 1 32,-2.4 34,-2.9 -2,-0.3 2,-0.4 -0.997 23.7-153.4-125.3 120.6 17.0 3.9 32.2 176 176 A F E + h 0 209C 0 -56,-3.3 -54,-0.5 -2,-0.4 2,-0.3 -0.841 20.7 166.5-100.0 133.1 18.9 5.4 35.1 177 177 A L E - 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0 0 4 -10,-2.5 2,-0.3 -2,-0.1 3,-0.0 -0.449 29.0-111.8 -76.5 159.4 12.5 15.5 38.9 190 190 A T > - 0 0 69 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.686 20.4-122.8 -88.4 151.1 8.9 16.4 38.1 191 191 A K H > S+ 0 0 95 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.897 113.6 56.6 -59.4 -37.6 6.4 13.7 39.0 192 192 A E H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 105.2 50.0 -60.8 -42.4 5.3 13.8 35.4 193 193 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 112.1 46.8 -64.4 -45.1 8.8 13.0 34.1 194 194 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.890 111.1 52.6 -64.3 -38.4 9.2 10.1 36.5 195 195 A E H X S+ 0 0 77 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.882 109.8 48.6 -64.6 -38.0 5.8 8.7 35.5 196 196 A E H X S+ 0 0 24 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.865 108.4 53.9 -69.4 -36.1 6.7 8.9 31.8 197 197 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 108.4 50.3 -62.5 -42.8 10.0 7.1 32.5 198 198 A R H X S+ 0 0 37 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.905 112.9 46.1 -60.9 -44.3 8.0 4.3 34.2 199 199 A K H X S+ 0 0 110 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.893 111.7 50.6 -67.3 -41.9 5.7 4.0 31.2 200 200 A L H X S+ 0 0 11 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.876 108.7 51.8 -65.5 -37.9 8.5 4.1 28.7 201 201 A C H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 4,-0.3 0.872 111.6 47.2 -67.3 -35.0 10.4 1.4 30.5 202 202 A D H ><5S+ 0 0 95 -4,-1.5 3,-0.7 3,-0.2 -2,-0.2 0.927 112.8 49.9 -70.1 -42.5 7.2 -0.8 30.5 203 203 A E H 3<5S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.7 33.3 -61.2 -45.0 6.6 -0.1 26.8 204 204 A Y T 3<5S- 0 0 67 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.263 110.6-116.8 -97.5 11.2 10.2 -0.9 25.7 205 205 A D T < 5 + 0 0 46 -3,-0.7 2,-0.3 -4,-0.3 -3,-0.2 0.940 65.5 142.8 52.5 55.0 10.7 -3.7 28.3 206 206 A A < - 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0 0 0 0, 0.0 -329,-0.2 0, 0.0 -38,-0.1 -0.279 44.2 -88.6 -71.5 162.3 22.3 18.8 57.5 363 363 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 -322,-0.2 -0.333 37.3-116.1 -64.6 155.2 22.0 15.5 59.4 364 364 A L T 3 S+ 0 0 3 -323,-1.7 -322,-0.2 1,-0.3 -66,-0.1 0.686 116.3 61.4 -69.0 -13.1 18.4 14.4 59.7 365 365 A T T 3 S+ 0 0 33 -324,-0.5 -1,-0.3 -346,-0.0 -345,-0.1 0.260 77.4 140.5 -93.1 9.0 18.7 14.9 63.5 366 366 A V < - 0 0 0 -3,-1.8 2,-0.2 -347,-0.1 -68,-0.0 -0.177 49.8-123.6 -56.4 144.3 19.5 18.6 63.1 367 367 A E > - 0 0 109 1,-0.1 4,-1.9 -69,-0.0 3,-0.3 -0.565 13.5-121.9 -89.8 153.8 17.9 21.0 65.6 368 368 A Y H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 115.2 54.7 -60.1 -38.4 15.7 24.0 64.7 369 369 A G H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.824 106.4 51.3 -65.1 -31.0 18.2 26.3 66.5 370 370 A E H > S+ 0 0 25 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.851 106.1 53.9 -74.7 -34.4 21.0 24.9 64.3 371 371 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 109.1 50.6 -64.1 -39.3 18.9 25.6 61.2 372 372 A D H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 109.6 49.3 -63.8 -44.6 18.6 29.2 62.5 373 373 A L H X S+ 0 0 69 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 111.1 49.8 -60.8 -44.6 22.3 29.5 63.0 374 374 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 112.6 45.6 -61.4 -48.3 23.1 28.2 59.5 375 375 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 113.0 50.9 -62.2 -43.1 20.7 30.5 57.8 376 376 A E H X S+ 0 0 95 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 110.5 49.4 -60.5 -44.3 21.9 33.5 59.8 377 377 A T H X S+ 0 0 28 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.911 111.2 48.7 -63.6 -42.5 25.5 32.7 59.0 378 378 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.924 110.0 52.1 -63.8 -43.4 24.8 32.4 55.3 379 379 A K H X S+ 0 0 47 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.904 108.8 50.2 -59.4 -42.6 22.9 35.7 55.3 380 380 A K H < S+ 0 0 122 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.871 109.9 50.9 -64.8 -36.3 25.8 37.5 56.9 381 381 A V H >X S+ 0 0 11 -4,-1.9 3,-1.2 1,-0.2 4,-0.7 0.938 112.1 46.9 -65.2 -45.2 28.1 36.1 54.3 382 382 A L H 3< S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.780 101.3 65.3 -67.9 -27.9 25.9 37.3 51.5 383 383 A Q T 3< S+ 0 0 136 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.647 116.6 29.2 -69.7 -12.6 25.5 40.7 53.1 384 384 A G T <4 0 0 60 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.395 360.0 360.0-124.7 -1.5 29.2 41.2 52.4 385 385 A I < 0 0 67 -4,-0.7 -51,-0.1 -3,-0.2 -3,-0.0 -0.121 360.0 360.0 -68.1 360.0 29.7 39.0 49.4