==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-08 3CQ5 . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR T.SANDALOVA,J.MARIENHAGEN,G.SCHNEIDER . 1094 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 75 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 0 3 0 1 5 0 6 3 3 3 3 6 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 3 3 3 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 . 3 1 2 6 3 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 . 3 0 3 0 0 3 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 3 A K 0 0 259 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.7 26.0 1.9 43.4 2 4 A I - 0 0 39 3,-0.0 2,-0.3 2,-0.0 608,-0.1 -0.663 360.0-160.1-107.5 163.0 25.3 4.2 40.4 3 5 A T > - 0 0 70 -2,-0.2 3,-1.9 606,-0.1 4,-0.5 -0.797 42.9 -87.8-131.1 174.7 24.1 3.4 36.9 4 6 A L G > S+ 0 0 40 1,-0.3 3,-1.6 -2,-0.3 5,-0.4 0.854 124.2 64.8 -53.7 -36.0 24.1 5.1 33.5 5 7 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.1 4,-0.0 0.785 96.1 58.3 -60.1 -25.2 20.8 6.8 34.6 6 8 A D G < S+ 0 0 86 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.603 93.1 81.6 -79.2 -13.6 22.8 8.7 37.3 7 9 A L S < S- 0 0 1 -3,-1.6 2,-2.2 -4,-0.5 577,-0.1 -0.679 92.2-111.2 -92.0 150.2 25.3 10.3 34.8 8 10 A P + 0 0 42 0, 0.0 3,-0.1 0, 0.0 550,-0.1 -0.201 54.1 168.3 -77.9 54.6 24.4 13.5 32.8 9 11 A L - 0 0 4 -2,-2.2 465,-0.2 -5,-0.4 5,-0.1 -0.239 47.5 -88.7 -58.5 149.0 24.2 11.6 29.5 10 12 A R > - 0 0 31 463,-2.1 3,-1.5 1,-0.1 4,-0.5 -0.392 37.1-124.4 -57.1 140.1 22.8 13.5 26.5 11 13 A E G > S+ 0 0 150 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.894 107.9 59.8 -57.8 -45.7 19.0 12.9 26.4 12 14 A E G 3 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.608 101.6 56.6 -62.3 -13.6 18.9 11.5 22.9 13 15 A L G X S+ 0 0 16 -3,-1.5 3,-1.7 460,-0.1 -1,-0.3 0.562 80.3 109.6 -92.1 -13.2 21.3 8.7 24.0 14 16 A R T < S+ 0 0 86 -3,-2.0 3,-0.1 -4,-0.5 -3,-0.0 -0.426 87.1 14.0 -60.7 135.6 18.9 7.5 26.8 15 17 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.583 98.8 129.3 73.6 10.9 17.4 4.2 25.9 16 18 A E < - 0 0 94 -3,-1.7 2,-0.3 0, 0.0 -1,-0.2 -0.536 46.8-141.3 -94.5 164.2 19.9 3.5 23.1 17 19 A H - 0 0 164 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 -0.914 23.6 -99.8-127.4 152.4 22.0 0.4 22.7 18 20 A A - 0 0 44 -2,-0.3 2,-0.2 1,-0.1 599,-0.1 -0.525 42.8-119.0 -74.7 136.3 25.6 -0.2 21.6 19 21 A Y + 0 0 50 597,-0.4 2,-0.1 -2,-0.2 -1,-0.1 -0.474 59.7 86.9 -79.6 143.1 26.0 -1.3 18.0 20 22 A G S S- 0 0 21 -2,-0.2 3,-0.1 601,-0.1 -2,-0.0 -0.334 71.1 -86.7 142.4 142.9 27.5 -4.5 16.8 21 23 A A - 0 0 3 1,-0.1 310,-0.1 -2,-0.1 11,-0.0 -0.290 62.9 -85.7 -60.1 149.5 26.7 -8.2 16.0 22 24 A P - 0 0 52 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.352 35.3-130.7 -58.8 137.6 26.9 -10.5 19.0 23 25 A Q + 0 0 72 -3,-0.1 2,-0.5 2,-0.1 -2,-0.0 -0.606 43.2 168.3 -91.4 76.7 30.5 -11.7 19.6 24 26 A L - 0 0 67 -2,-1.6 2,-2.2 1,-0.1 305,-0.1 -0.829 35.8-141.2-102.8 123.4 29.6 -15.4 19.9 25 27 A N + 0 0 156 -2,-0.5 2,-0.2 2,-0.0 -2,-0.1 -0.437 48.5 143.4 -79.3 64.2 32.3 -18.1 19.8 26 28 A V - 0 0 40 -2,-2.2 3,-0.1 1,-0.1 302,-0.1 -0.604 61.5-107.1 -97.3 170.0 30.5 -20.7 17.7 27 29 A D S S+ 0 0 147 -2,-0.2 2,-0.6 1,-0.2 301,-0.1 0.858 103.9 45.1 -64.0 -39.9 32.1 -23.0 15.2 28 30 A I E -a 328 0A 24 299,-2.1 301,-3.2 323,-0.0 2,-0.6 -0.918 66.0-175.1-120.0 110.2 30.8 -21.3 12.0 29 31 A R E +a 329 0A 83 -2,-0.6 301,-0.1 299,-0.2 3,-0.1 -0.901 23.3 146.1-115.7 109.0 30.9 -17.5 11.8 30 32 A L + 0 0 3 299,-3.0 312,-2.1 -2,-0.6 301,-0.4 -0.364 43.8 97.4-137.0 47.7 29.3 -16.0 8.7 31 33 A N S S+ 0 0 5 299,-0.2 299,-0.1 310,-0.2 -1,-0.1 0.508 74.0 46.5-124.4 -9.2 27.8 -12.8 10.1 32 34 A T S S- 0 0 20 -3,-0.1 298,-0.0 2,-0.1 309,-0.0 0.249 98.5-111.9-127.5 15.4 30.2 -9.8 9.4 33 35 A N + 0 0 1 1,-0.2 2,-0.1 273,-0.1 273,-0.1 0.687 60.2 159.3 65.5 23.1 31.1 -10.2 5.8 34 36 A E - 0 0 17 1,-0.1 -1,-0.2 195,-0.1 192,-0.2 -0.432 51.8-106.5 -70.0 148.2 34.7 -11.0 6.6 35 37 A N - 0 0 0 190,-0.5 196,-0.1 191,-0.5 309,-0.1 -0.653 29.3-144.6 -67.1 127.2 36.8 -12.8 4.0 36 38 A P + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 309,-0.1 0.600 69.7 94.7 -78.7 -9.5 37.1 -16.3 5.5 37 39 A Y S S- 0 0 42 238,-0.1 -2,-0.1 389,-0.1 3,-0.1 -0.646 77.1-122.5 -83.5 134.0 40.7 -16.9 4.4 38 40 A P - 0 0 80 0, 0.0 386,-0.1 0, 0.0 385,-0.1 -0.374 42.6 -84.2 -67.7 153.6 43.5 -16.1 6.8 39 41 A P - 0 0 9 0, 0.0 190,-0.0 0, 0.0 387,-0.0 -0.277 59.3 -94.0 -54.2 146.8 46.2 -13.6 5.6 40 42 A S > - 0 0 23 1,-0.1 4,-2.8 231,-0.1 5,-0.2 -0.180 22.9-120.5 -65.3 153.8 48.8 -15.3 3.5 41 43 A E H > S+ 0 0 175 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.879 116.1 53.0 -57.9 -39.8 52.1 -16.6 5.0 42 44 A A H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 110.0 47.3 -62.8 -45.0 54.0 -14.3 2.7 43 45 A L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.948 112.7 49.4 -61.0 -49.9 51.9 -11.3 3.9 44 46 A V H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.925 110.5 49.3 -56.8 -46.5 52.4 -12.2 7.5 45 47 A A H X S+ 0 0 59 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.896 111.5 50.1 -61.7 -39.9 56.2 -12.7 7.2 46 48 A D H X S+ 0 0 38 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.917 111.5 48.9 -62.6 -44.4 56.4 -9.3 5.5 47 49 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.931 110.2 50.7 -61.3 -46.4 54.4 -7.7 8.3 48 50 A V H X S+ 0 0 19 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.930 113.1 45.3 -58.7 -45.1 56.5 -9.3 10.9 49 51 A A H X S+ 0 0 58 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.897 112.8 52.0 -66.2 -39.7 59.7 -8.0 9.3 50 52 A T H X S+ 0 0 18 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.940 109.7 47.5 -62.5 -49.1 58.2 -4.6 8.8 51 53 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.898 108.9 55.5 -58.8 -40.4 57.2 -4.3 12.5 52 54 A D H < S+ 0 0 92 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.870 111.8 44.6 -61.2 -36.6 60.7 -5.4 13.5 53 55 A K H < S+ 0 0 159 -4,-1.7 3,-0.4 -3,-0.2 -2,-0.2 0.909 122.3 33.7 -72.4 -46.4 62.1 -2.5 11.4 54 56 A I H >< S+ 0 0 43 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.606 92.3 88.5 -92.2 -10.9 59.7 0.2 12.5 55 57 A A G >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.793 78.6 66.2 -59.6 -28.7 59.1 -0.8 16.2 56 58 A T G 3 S+ 0 0 61 -3,-0.4 -1,-0.3 -4,-0.3 3,-0.2 0.554 101.0 51.3 -73.3 -5.6 62.1 1.2 17.3 57 59 A E G X S+ 0 0 116 -3,-2.2 3,-2.2 348,-0.1 -1,-0.3 0.290 74.4 106.5-107.7 10.1 60.2 4.4 16.3 58 60 A L T < + 0 0 1 -3,-1.7 541,-2.6 1,-0.3 542,-0.6 0.645 68.2 69.8 -68.4 -13.5 57.0 3.7 18.2 59 61 A N T 3 S+ 0 0 4 538,-0.2 539,-0.6 539,-0.2 343,-0.4 0.668 92.5 75.5 -70.0 -17.5 57.9 6.3 20.7 60 62 A R S < S- 0 0 52 -3,-2.2 199,-0.2 536,-0.1 -3,-0.0 -0.715 94.7-102.0 -97.8 146.2 57.2 8.9 18.0 61 63 A Y - 0 0 35 -2,-0.3 538,-0.2 537,-0.1 -1,-0.1 -0.286 47.8-107.2 -55.0 148.8 53.9 10.1 16.7 62 64 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.205 49.0 -71.3 -72.4 171.8 53.1 8.5 13.3 63 65 A E > - 0 0 66 1,-0.2 3,-1.0 2,-0.1 194,-0.1 -0.530 49.8-145.6 -65.7 121.8 53.3 10.3 10.1 64 66 A R T 3 S+ 0 0 24 -2,-0.4 191,-0.3 1,-0.3 193,-0.2 0.837 90.5 40.7 -66.5 -37.3 50.2 12.5 10.4 65 67 A D T 3 S- 0 0 34 190,-0.1 -1,-0.3 189,-0.1 27,-0.1 0.367 94.4-134.7 -95.9 2.0 49.1 12.6 6.8 66 68 A A <> + 0 0 3 -3,-1.0 4,-2.6 191,-0.1 5,-0.2 0.835 41.1 165.3 50.6 42.6 49.7 9.0 6.0 67 69 A V H > + 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 68.7 48.1 -61.0 -44.3 51.4 9.9 2.7 68 70 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 113.1 48.8 -65.7 -44.3 53.1 6.6 1.9 69 71 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.913 110.7 50.8 -57.3 -46.3 49.8 4.7 2.6 70 72 A R H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.849 107.0 54.5 -63.7 -33.3 47.9 7.1 0.4 71 73 A D H X S+ 0 0 53 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.938 112.5 43.1 -62.0 -47.9 50.5 6.6 -2.4 72 74 A E H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.877 112.2 52.1 -71.4 -35.3 50.0 2.8 -2.2 73 75 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.922 110.7 49.6 -62.0 -41.1 46.2 3.1 -1.9 74 76 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 11,-0.3 0.886 108.9 52.0 -66.9 -37.4 46.3 5.3 -5.1 75 77 A A H X S+ 0 0 51 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.909 110.9 48.3 -64.4 -41.9 48.4 2.8 -6.9 76 78 A Y H X S+ 0 0 13 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.949 113.1 46.4 -60.5 -51.4 45.9 0.1 -6.0 77 79 A I H X>S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 6,-0.6 0.905 110.4 53.6 -63.3 -39.5 42.9 2.1 -7.1 78 80 A T H X5S+ 0 0 49 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.929 117.3 37.5 -58.6 -45.4 44.7 3.1 -10.4 79 81 A K H <5S+ 0 0 159 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.907 120.2 46.0 -71.7 -44.6 45.3 -0.6 -11.2 80 82 A Q H <5S+ 0 0 84 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.884 128.7 21.4 -69.8 -42.8 42.0 -2.0 -9.9 81 83 A T H <5S- 0 0 27 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.563 95.2-125.5-104.8 -14.5 39.6 0.6 -11.5 82 84 A G << + 0 0 65 -4,-1.2 2,-0.6 -5,-0.5 -4,-0.2 0.506 69.6 126.3 77.3 6.6 41.7 2.0 -14.3 83 85 A V - 0 0 35 -6,-0.6 2,-0.3 128,-0.0 -1,-0.2 -0.871 64.0-125.7 -99.0 117.4 41.3 5.6 -13.1 84 86 A A + 0 0 87 -2,-0.6 2,-0.3 -3,-0.1 -9,-0.1 -0.455 45.5 156.7 -65.2 118.6 44.6 7.4 -12.7 85 87 A V - 0 0 17 -11,-0.3 2,-0.2 -2,-0.3 -7,-0.1 -0.928 22.9-159.6-138.5 163.7 44.8 8.8 -9.1 86 88 A T > - 0 0 72 -2,-0.3 3,-2.1 -9,-0.0 4,-0.4 -0.741 47.9 -80.0-130.0 179.1 47.5 9.8 -6.7 87 89 A R G > S+ 0 0 102 1,-0.3 3,-1.3 -2,-0.2 -16,-0.1 0.779 123.6 70.2 -53.9 -28.4 47.8 10.3 -3.0 88 90 A D G 3 S+ 0 0 81 1,-0.3 157,-0.3 -17,-0.0 -1,-0.3 0.772 101.7 44.7 -62.4 -26.2 46.1 13.7 -3.5 89 91 A N G < S+ 0 0 29 -3,-2.1 151,-2.2 -19,-0.1 2,-0.4 0.418 104.9 80.0 -93.1 -2.3 42.9 11.9 -4.3 90 92 A L E < +B 239 0B 0 -3,-1.3 2,-0.3 -4,-0.4 149,-0.2 -0.857 48.3 177.6-117.3 144.9 43.1 9.4 -1.4 91 93 A W E -B 238 0B 2 147,-1.8 147,-2.3 -2,-0.4 2,-0.3 -0.988 10.2-160.8-145.3 135.8 42.4 9.6 2.3 92 94 A A E +B 237 0B 2 -2,-0.3 2,-0.3 145,-0.2 145,-0.2 -0.854 15.0 159.4-119.8 149.5 42.6 6.8 5.0 93 95 A A E -B 236 0B 0 143,-2.5 143,-2.2 -2,-0.3 2,-1.7 -0.894 56.0 -63.8-151.8-178.4 41.1 6.4 8.4 94 96 A N S > S- 0 0 4 -2,-0.3 4,-0.8 141,-0.2 141,-0.3 -0.548 104.5 -39.3 -77.3 83.9 40.4 3.6 11.0 95 97 A G H >> S- 0 0 0 -2,-1.7 4,-1.7 139,-0.4 3,-0.7 0.128 78.8 -76.0 79.3 157.2 37.8 1.7 9.0 96 98 A S H 3> S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.784 128.9 69.3 -49.0 -34.3 35.1 3.0 6.7 97 99 A N H 3> S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 102.8 40.7 -57.1 -44.1 33.3 3.9 9.9 98 100 A E H S+ 0 0 0 19,-0.2 3,-2.3 3,-0.1 25,-0.3 -0.220 71.3 1.4 88.3-177.6 26.0 17.8 11.0 110 112 A P T 3 S+ 0 0 40 0, 0.0 23,-0.1 0, 0.0 3,-0.1 -0.090 132.1 14.7 -46.6 130.7 23.5 20.1 12.8 111 113 A G T 3 S+ 0 0 86 1,-0.3 2,-0.2 21,-0.3 22,-0.1 0.397 111.6 98.4 83.8 -2.9 20.9 21.6 10.4 112 114 A R < - 0 0 46 -3,-2.3 22,-2.2 20,-0.4 2,-0.3 -0.733 57.8-143.8-119.5 167.4 21.8 19.2 7.6 113 115 A T E -c 134 0B 21 -2,-0.2 49,-1.8 20,-0.2 48,-0.9 -0.937 4.9-157.5-132.6 147.5 20.5 15.9 6.3 114 116 A A E -cd 135 162B 0 20,-2.9 22,-3.1 -2,-0.3 2,-0.4 -0.993 15.3-153.1-122.5 137.0 21.7 12.6 4.8 115 117 A L E +cd 136 163B 0 47,-2.8 49,-3.1 -2,-0.4 2,-0.3 -0.909 15.9 174.9-114.2 135.5 19.5 10.5 2.6 116 118 A G E -c 137 0B 3 20,-2.5 22,-2.8 -2,-0.4 2,-0.7 -0.903 32.8-119.2-134.6 166.2 19.8 6.7 2.2 117 119 A F E -c 138 0B 6 47,-0.4 22,-0.2 -2,-0.3 49,-0.1 -0.887 50.3-108.8-113.3 98.9 17.9 3.9 0.4 118 120 A Q E S+c 139 0B 58 20,-2.0 22,-3.2 -2,-0.7 26,-0.1 -0.556 96.5 44.2 -87.4 143.4 16.6 1.4 3.0 119 121 A P S S+ 0 0 19 0, 0.0 53,-0.3 0, 0.0 2,-0.2 0.313 91.3 116.6 -81.6 135.1 17.4 -1.3 3.6 120 122 A S S S- 0 0 17 51,-0.1 -2,-0.1 1,-0.1 49,-0.0 -0.713 71.0 -25.5-144.0-163.7 21.1 -0.5 3.5 121 123 A Y > - 0 0 42 -2,-0.2 3,-1.5 1,-0.2 -1,-0.1 -0.265 53.2-143.8 -58.9 125.8 24.1 -0.4 5.8 122 124 A S T 3> S+ 0 0 45 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.744 94.6 64.6 -67.2 -21.5 22.9 0.1 9.3 123 125 A M H 3> S+ 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.774 86.8 73.5 -73.2 -19.1 25.9 2.3 10.3 124 126 A H H <> S+ 0 0 3 -3,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.974 104.9 34.2 -59.0 -56.3 24.8 4.9 7.8 125 127 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.845 118.5 54.9 -66.2 -30.3 21.9 6.2 9.8 126 128 A I H X S+ 0 0 69 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.924 110.6 44.2 -66.6 -46.9 23.7 5.5 13.1 127 129 A L H X S+ 0 0 8 -4,-3.3 4,-1.3 2,-0.2 6,-0.2 0.860 111.3 54.9 -65.9 -37.3 26.7 7.6 12.0 128 130 A A H ><>S+ 0 0 0 -4,-2.2 5,-3.7 -5,-0.3 3,-0.7 0.970 112.5 42.6 -57.4 -53.5 24.3 10.3 10.8 129 131 A K H ><5S+ 0 0 71 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.931 110.7 56.5 -57.5 -47.4 22.7 10.5 14.2 130 132 A G H 3<5S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.719 112.7 41.4 -59.2 -25.5 26.1 10.3 16.0 131 133 A T T <<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.245 120.5-109.7-102.2 8.3 27.2 13.4 14.0 132 134 A H T < 5S+ 0 0 41 -3,-2.3 2,-0.5 1,-0.3 -20,-0.4 0.827 70.8 144.6 63.7 34.4 23.8 15.1 14.5 133 135 A T < - 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0 0 1 -151,-2.0 -21,-0.1 -2,-0.4 -24,-0.1 -0.938 65.4 -50.5-163.6 179.6 36.1 6.2 35.8 608 243 B N >> - 0 0 38 -23,-0.5 3,-2.5 -26,-0.4 4,-0.5 -0.451 59.8-110.7 -60.3 141.7 33.0 4.5 37.3 609 244 B P H >> S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.742 113.6 74.7 -50.4 -27.0 31.8 1.6 35.1 610 245 B A H 3> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -603,-0.1 0.810 90.3 57.5 -56.2 -32.2 28.7 3.7 34.2 611 246 B F H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.821 100.2 55.5 -69.7 -30.8 31.0 5.9 32.0 612 247 B I H < S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 4,-0.4 0.936 110.6 45.3 -62.3 -50.5 28.0 5.9 28.2 615 250 B V H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-1.3 0.779 100.2 69.0 -72.3 -21.4 30.9 5.8 25.7 616 251 B M H 3< S+ 0 0 33 -4,-2.0 -597,-0.4 1,-0.3 -1,-0.3 0.774 94.0 59.5 -66.0 -20.8 29.8 2.5 24.2 617 252 B L T << S+ 0 0 36 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.697 118.2 27.3 -75.9 -19.0 26.8 4.4 22.8 618 253 B V T <4 S+ 0 0 19 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.614 92.4 105.1-118.3 -20.9 29.0 6.8 20.8 619 254 B R S < S- 0 0 11 -4,-2.6 -159,-0.0 1,-0.1 3,-0.0 -0.316 78.4-108.2 -63.5 145.4 32.3 4.9 20.0 620 255 B L > - 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