==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-MAY-07 2V1P . COMPND 2 MOLECULE: TRYPTHOPANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.KOGAN,G.Y.GDALEVSKY,R.COHEN-LURIA,Y.GOLDGUR,A.H.PAROLA, . 467 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 0 1 0 1 1 1 2 0 5 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 K 0 0 204 0, 0.0 2,-0.6 0, 0.0 335,-0.1 0.000 360.0 360.0 360.0 133.5 37.7 64.2 47.8 2 6 A H - 0 0 13 334,-0.1 327,-0.1 333,-0.1 331,-0.1 -0.762 360.0-134.8 -85.7 120.7 36.0 60.9 47.3 3 7 A L - 0 0 64 -2,-0.6 2,-0.2 326,-0.2 422,-0.1 -0.356 22.2-102.7 -74.5 154.4 38.4 58.6 45.3 4 8 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 325,-0.1 -0.529 50.6 -88.7 -75.7 148.6 37.2 56.6 42.3 5 9 A E - 0 0 65 -2,-0.2 2,-1.7 1,-0.1 321,-0.1 -0.352 27.4-141.9 -59.1 125.1 36.6 52.9 43.1 6 10 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.296 80.5 51.6 -84.0 53.6 39.9 50.9 42.6 7 11 A F S S- 0 0 82 -2,-1.7 2,-0.5 319,-0.0 -2,-0.1 -0.974 82.5-109.7-174.4 164.0 37.7 48.1 41.2 8 12 A R - 0 0 175 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.920 37.8-119.5-106.4 131.9 35.0 47.1 38.7 9 13 A I + 0 0 102 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.583 39.0 169.2 -69.8 131.6 31.6 46.2 40.3 10 14 A R + 0 0 139 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.701 59.4 28.7-116.0 -34.5 30.9 42.5 39.3 11 15 A V - 0 0 112 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.998 65.9-170.1-133.9 133.1 27.9 41.4 41.3 12 16 A I - 0 0 128 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.897 20.1-141.5-123.7 152.9 25.1 43.5 42.7 13 17 A E - 0 0 158 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.941 33.7-125.7-110.1 107.8 22.2 42.9 45.1 14 18 A P - 0 0 115 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.235 25.2-168.3 -55.3 139.2 19.1 44.8 43.8 15 19 A V - 0 0 62 26,-0.0 2,-0.1 29,-0.0 26,-0.1 -0.995 19.3-126.7-131.8 124.0 17.5 47.2 46.2 16 20 A K - 0 0 92 -2,-0.4 2,-0.7 24,-0.4 0, 0.0 -0.418 14.2-128.2 -73.6 144.7 14.0 48.7 45.4 17 21 A R - 0 0 152 -2,-0.1 2,-0.1 26,-0.0 -1,-0.1 -0.837 32.5-158.1 -92.0 117.9 13.4 52.4 45.4 18 22 A T - 0 0 26 -2,-0.7 2,-0.2 23,-0.1 3,-0.0 -0.462 12.8-114.3 -94.4 166.9 10.4 53.1 47.7 19 23 A T > - 0 0 90 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.587 26.8-114.1 -94.6 162.5 8.0 56.0 47.8 20 24 A R H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 118.4 52.9 -60.8 -45.6 7.7 58.3 50.8 21 25 A A H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 107.9 51.5 -56.8 -42.8 4.2 57.1 51.4 22 26 A Y H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 111.6 45.9 -60.5 -47.1 5.4 53.5 51.5 23 27 A R H X S+ 0 0 22 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.862 107.6 57.5 -65.9 -36.8 8.2 54.3 54.0 24 28 A E H X S+ 0 0 55 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.934 112.2 41.8 -59.1 -44.8 5.8 56.2 56.2 25 29 A E H X S+ 0 0 117 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.875 113.9 53.3 -69.2 -38.4 3.6 53.1 56.4 26 30 A A H X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.917 107.3 49.0 -63.4 -46.2 6.6 50.9 56.9 27 31 A I H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 6,-0.5 0.834 112.2 50.2 -65.4 -31.1 8.1 52.8 59.8 28 32 A I H ><5S+ 0 0 117 -4,-1.3 3,-2.2 -5,-0.3 -2,-0.2 0.933 108.2 51.3 -71.1 -46.1 4.7 52.8 61.5 29 33 A K H 3<5S+ 0 0 165 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.829 108.8 53.1 -59.1 -31.7 4.3 49.0 61.0 30 34 A S T 3<5S- 0 0 7 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.3 0.285 118.9-114.3 -87.3 10.5 7.8 48.6 62.6 31 35 A G T < 5 - 0 0 7 -3,-2.2 433,-2.6 1,-0.2 -3,-0.2 0.886 65.6 -61.6 59.8 42.4 6.7 50.7 65.6 32 36 A M S - 0 0 0 -6,-0.5 3,-2.8 -3,-0.4 4,-0.2 -0.831 52.1-161.2-141.5 98.9 12.0 51.1 65.2 34 38 A P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.749 90.3 70.4 -49.5 -28.8 14.3 50.6 62.2 35 39 A F G 3 S+ 0 0 51 1,-0.3 425,-0.1 424,-0.3 355,-0.0 0.780 97.7 51.8 -60.4 -26.2 15.5 47.4 63.8 36 40 A L G < S+ 0 0 56 -3,-2.8 -1,-0.3 -6,-0.3 2,-0.2 0.385 88.4 108.1 -91.9 2.0 12.1 46.0 63.0 37 41 A L S < S- 0 0 13 -3,-1.8 2,-0.2 -4,-0.2 5,-0.1 -0.508 77.5-108.8 -80.6 149.0 12.2 47.0 59.3 38 42 A D > - 0 0 106 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 -0.553 24.2-126.4 -73.8 142.1 12.6 44.4 56.5 39 43 A S G > S+ 0 0 72 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.872 109.9 60.8 -55.3 -39.0 16.1 44.7 54.9 40 44 A E G 3 S+ 0 0 145 1,-0.3 -24,-0.4 -25,-0.1 -1,-0.3 0.737 99.9 55.2 -62.2 -24.3 14.4 45.0 51.5 41 45 A D G < S+ 0 0 14 -3,-1.4 2,-0.6 -26,-0.1 -1,-0.3 0.389 91.3 88.0 -90.6 3.0 12.6 48.2 52.7 42 46 A V < - 0 0 6 -3,-1.9 3,-0.2 -4,-0.2 345,-0.1 -0.913 53.5-174.1-106.2 120.2 15.9 49.8 53.6 43 47 A F S S+ 0 0 27 343,-1.5 2,-0.5 -2,-0.6 344,-0.2 0.932 82.0 19.6 -76.4 -49.2 17.7 51.6 50.8 44 48 A I E S-a 387 0A 0 342,-1.7 344,-2.4 341,-0.1 2,-0.9 -0.944 75.8-160.7-126.9 106.0 20.9 52.5 52.6 45 49 A D E +a 388 0A 34 -2,-0.5 3,-0.3 -3,-0.2 344,-0.1 -0.773 21.8 164.0 -94.9 102.0 21.6 50.2 55.6 46 50 A L + 0 0 0 342,-2.3 371,-1.1 -2,-0.9 344,-0.3 0.074 39.6 116.2-102.5 21.8 24.1 51.9 57.9 47 51 A L S S- 0 0 38 1,-0.2 2,-0.3 342,-0.2 -1,-0.2 0.935 87.4 -23.5 -55.0 -51.5 23.2 49.6 60.8 48 52 A T - 0 0 42 -3,-0.3 -1,-0.2 369,-0.1 369,-0.0 -0.989 38.0-143.5-159.8 159.8 26.7 48.1 60.9 49 53 A D > + 0 0 7 -2,-0.3 2,-0.8 369,-0.1 3,-0.5 0.332 65.9 119.3-106.7 2.6 29.8 47.3 58.8 50 54 A S T 3 S- 0 0 44 1,-0.2 216,-0.2 2,-0.1 215,-0.1 -0.598 98.3 -24.9 -75.9 107.8 30.4 44.0 60.5 51 55 A G T 3 S+ 0 0 21 214,-3.0 -1,-0.2 -2,-0.8 215,-0.1 0.603 114.1 104.0 66.8 15.1 30.2 41.3 57.9 52 56 A T < + 0 0 63 -3,-0.5 -2,-0.1 213,-0.3 -1,-0.1 0.347 55.4 99.4-107.6 3.8 28.0 43.4 55.6 53 57 A G S S- 0 0 31 -4,-0.4 368,-0.2 212,-0.2 2,-0.1 -0.257 75.7 -92.7 -88.5 176.1 30.6 44.4 53.1 54 58 A A - 0 0 38 366,-2.3 2,-0.3 -2,-0.1 -1,-0.1 -0.346 32.4-140.8 -81.5 165.6 31.4 43.2 49.6 55 59 A V - 0 0 54 366,-0.1 2,-0.1 -2,-0.1 215,-0.1 -0.817 19.3-109.7-121.8 163.4 34.0 40.5 48.8 56 60 A T > - 0 0 46 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.457 33.5-105.0 -87.1 167.4 36.5 40.3 45.9 57 61 A Q H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 121.7 48.9 -57.3 -49.0 36.2 37.8 43.0 58 62 A S H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 110.3 51.9 -62.2 -34.8 39.0 35.6 44.4 59 63 A M H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.926 111.9 45.0 -66.8 -45.6 37.5 35.6 47.8 60 64 A Q H >< S+ 0 0 111 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.919 111.7 53.3 -64.2 -42.6 34.1 34.5 46.6 61 65 A A H >< S+ 0 0 53 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.862 97.9 65.5 -59.8 -37.6 35.7 31.9 44.4 62 66 A A H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.753 85.3 72.7 -57.0 -28.3 37.6 30.4 47.4 63 67 A M T << S+ 0 0 54 -3,-1.2 3,-0.5 -4,-0.7 -1,-0.3 0.736 94.4 54.6 -60.5 -23.2 34.3 29.4 48.9 64 68 A M T < S+ 0 0 175 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.352 96.6 64.9 -94.0 6.7 34.1 26.6 46.3 65 69 A R S < S+ 0 0 116 -3,-1.9 -1,-0.2 244,-0.1 -2,-0.1 -0.010 73.4 147.9-115.6 27.5 37.5 25.1 47.1 66 70 A G - 0 0 22 -3,-0.5 2,-0.7 1,-0.0 243,-0.1 -0.376 39.7-154.9 -74.3 140.2 36.7 23.9 50.6 67 71 A D - 0 0 36 -2,-0.1 8,-0.3 241,-0.1 9,-0.2 -0.952 9.8-167.8-109.4 107.3 38.2 20.9 52.3 68 72 A E + 0 0 114 -2,-0.7 -1,-0.1 239,-0.1 5,-0.1 0.293 33.6 141.3 -83.0 10.3 35.6 19.9 55.0 69 73 A A - 0 0 49 1,-0.1 4,-0.3 3,-0.1 3,-0.1 -0.202 56.9-130.9 -55.0 141.9 37.8 17.4 56.8 70 74 A F S S+ 0 0 172 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.856 90.4 11.9 -61.7 -38.3 37.4 17.5 60.6 71 75 A S S S+ 0 0 91 1,-0.1 -1,-0.2 5,-0.0 -2,-0.0 -0.985 123.1 26.3-141.7 152.2 41.2 17.7 61.0 72 76 A G S S+ 0 0 43 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.667 74.2 174.1 72.7 17.9 44.2 18.3 58.7 73 77 A S > - 0 0 3 -4,-0.3 4,-2.2 1,-0.2 3,-0.4 -0.346 35.6-141.7 -61.1 131.7 42.1 20.3 56.3 74 78 A R H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.745 104.7 59.7 -64.6 -21.7 44.1 21.9 53.5 75 79 A S H > S+ 0 0 0 -8,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.863 104.2 47.6 -73.8 -37.4 41.7 24.9 53.9 76 80 A Y H > S+ 0 0 58 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.923 111.8 51.8 -66.6 -42.7 42.8 25.3 57.5 77 81 A Y H X S+ 0 0 133 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.881 107.3 52.2 -60.0 -40.7 46.4 25.0 56.3 78 82 A A H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 111.3 47.0 -62.6 -43.7 45.9 27.7 53.7 79 83 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 112.6 48.3 -64.2 -45.8 44.5 30.1 56.4 80 84 A A H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.867 109.8 54.3 -62.7 -35.5 47.3 29.4 58.8 81 85 A E H X S+ 0 0 95 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.887 106.6 50.7 -66.0 -39.0 49.8 29.9 55.9 82 86 A S H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.934 111.0 48.9 -64.0 -44.2 48.3 33.4 55.2 83 87 A V H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-1.2 0.906 111.5 49.5 -61.3 -42.6 48.6 34.3 58.9 84 88 A K H <5S+ 0 0 106 -4,-2.3 4,-0.4 4,-0.2 -1,-0.2 0.910 116.6 41.0 -64.1 -42.0 52.2 33.1 58.9 85 89 A N H <5S+ 0 0 78 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.813 124.3 36.8 -76.0 -32.2 53.1 35.1 55.8 86 90 A I H <5S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.908 135.3 16.6 -87.7 -48.5 51.1 38.2 56.8 87 91 A F T <5S- 0 0 3 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.627 94.0-124.3-100.8 -17.7 51.6 38.5 60.5 88 92 A G < + 0 0 21 -5,-1.2 2,-0.5 -4,-0.4 -4,-0.2 0.606 61.4 145.5 82.4 11.8 54.5 36.2 61.0 89 93 A Y - 0 0 1 -6,-1.1 -1,-0.3 1,-0.1 190,-0.3 -0.737 39.0-160.6 -91.2 127.9 52.6 34.2 63.5 90 94 A Q S S+ 0 0 97 189,-2.7 2,-0.5 -2,-0.5 189,-0.2 0.678 71.3 60.6 -78.4 -21.7 53.2 30.4 63.6 91 95 A Y E -B 278 0B 36 187,-2.3 187,-2.1 -8,-0.1 2,-0.4 -0.943 61.2-176.3-119.5 126.9 50.0 29.3 65.3 92 96 A T E -B 277 0B 2 -2,-0.5 185,-0.2 185,-0.2 -12,-0.1 -0.959 12.3-177.7-125.9 133.8 46.5 29.8 64.1 93 97 A I E -B 276 0B 8 183,-1.5 183,-1.7 -2,-0.4 2,-0.2 -0.963 22.9-142.5-126.4 110.2 43.1 29.0 65.6 94 98 A P E -B 275 0B 28 0, 0.0 2,-0.3 0, 0.0 181,-0.2 -0.510 18.8-158.5 -72.1 140.8 40.1 29.8 63.3 95 99 A T E +B 274 0B 0 179,-2.2 179,-1.7 -2,-0.2 4,-0.1 -0.918 23.0 180.0-121.8 149.3 37.1 31.2 65.3 96 100 A H + 0 0 60 -2,-0.3 3,-0.1 177,-0.2 209,-0.1 0.267 64.8 67.0-128.6 8.2 33.5 31.3 64.3 97 101 A Q S S- 0 0 75 1,-0.2 2,-0.5 175,-0.1 176,-0.3 0.219 99.6 -21.3-103.1-136.7 31.9 32.9 67.3 98 102 A G S >> S- 0 0 42 165,-0.1 3,-0.9 2,-0.0 4,-0.7 -0.673 106.0 -45.2 -85.1 123.8 32.1 36.4 68.8 99 103 A R T 34 S- 0 0 29 -2,-0.5 165,-0.3 1,-0.2 163,-0.1 -0.435 114.8 -33.0 63.0-114.1 35.2 38.5 67.9 100 104 A G T 34 S- 0 0 0 -2,-0.4 5,-0.2 174,-0.2 -1,-0.2 -0.342 97.4 -75.2-138.1 54.9 38.2 36.2 68.2 101 105 A A T X> + 0 0 0 -3,-0.9 4,-1.9 1,-0.1 3,-1.5 0.919 69.9 160.3 54.2 48.6 37.5 33.8 71.0 102 106 A E H 3X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.3 -1,-0.1 0.819 73.6 64.1 -66.8 -27.8 38.1 36.5 73.7 103 107 A Q H 34 S+ 0 0 32 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.598 108.3 44.1 -69.5 -9.6 36.1 34.1 75.9 104 108 A I H <> S+ 0 0 0 -3,-1.5 4,-1.5 2,-0.1 -2,-0.2 0.882 112.7 40.7 -99.0 -61.6 39.0 31.7 75.3 105 109 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.813 107.7 63.2 -63.0 -31.2 42.3 33.6 75.6 106 110 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.971 107.4 39.4 -60.5 -56.5 41.3 35.7 78.6 107 111 A P H > S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.861 116.4 54.3 -63.2 -30.2 40.7 32.8 81.1 108 112 A V H X S+ 0 0 11 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.917 110.8 43.8 -67.2 -43.7 43.8 31.1 79.6 109 113 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.876 111.9 53.2 -70.1 -37.8 46.1 34.1 80.2 110 114 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.945 112.2 44.7 -61.6 -47.8 44.7 34.7 83.7 111 115 A K H X S+ 0 0 108 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.869 108.9 58.6 -64.3 -38.0 45.4 31.1 84.8 112 116 A K H X S+ 0 0 33 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.936 110.9 39.4 -57.4 -50.9 48.8 31.2 83.2 113 117 A R H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 6,-1.5 0.778 112.1 59.0 -71.8 -26.6 50.0 34.2 85.3 114 118 A E H X S+ 0 0 67 -4,-1.6 4,-0.6 4,-0.3 -1,-0.2 0.900 113.4 37.3 -68.0 -40.7 48.3 32.8 88.3 115 119 A Q H < S+ 0 0 136 -4,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.825 126.2 36.9 -79.9 -34.3 50.3 29.5 88.1 116 120 A E H < S+ 0 0 108 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.849 134.0 16.8 -89.2 -37.9 53.6 31.1 87.0 117 121 A K H < S- 0 0 59 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.182 102.3-107.8-123.3 17.2 53.7 34.4 88.9 118 122 A G < - 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0 0 0 -36,-0.2 33,-0.1 -37,-0.1 2,-0.1 -0.975 23.6-124.7-118.8 129.4 47.8 53.7 66.8 202 206 A S > - 0 0 10 -2,-0.4 4,-2.2 -39,-0.2 5,-0.2 -0.400 10.7-128.0 -77.2 153.2 51.3 54.5 65.7 203 207 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 113.0 56.5 -66.1 -34.2 54.0 51.8 65.2 204 208 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.5 47.5 -62.8 -39.9 56.3 53.9 67.4 205 209 A N H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 111.3 49.6 -67.9 -42.2 53.6 53.7 70.1 206 210 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.885 110.9 50.3 -64.1 -39.2 53.1 50.0 69.7 207 211 A K H X S+ 0 0 79 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 112.0 46.8 -64.2 -46.8 56.9 49.4 69.9 208 212 A A H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.895 113.1 49.9 -61.9 -41.1 57.2 51.5 73.1 209 213 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.897 110.0 50.4 -65.0 -41.2 54.1 49.7 74.6 210 214 A Y H X S+ 0 0 36 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.854 106.3 54.8 -67.2 -34.9 55.6 46.3 73.8 211 215 A S H X S+ 0 0 67 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.913 109.8 48.1 -64.8 -39.4 58.9 47.2 75.4 212 216 A I H X S+ 0 0 20 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.947 114.4 45.0 -63.8 -48.6 57.0 48.1 78.6 213 217 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-0.3 0.898 112.8 51.1 -62.1 -42.0 55.1 44.8 78.5 214 218 A K H ><5S+ 0 0 155 -4,-2.9 3,-1.0 3,-0.2 -1,-0.2 0.881 103.5 59.0 -63.5 -39.1 58.2 42.8 77.7 215 219 A K H 3<5S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.880 116.4 34.1 -57.7 -38.8 60.0 44.4 80.7 216 220 A Y T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.324 110.7-121.1 -99.0 5.7 57.3 43.0 83.0 217 221 A D T < 5 + 0 0 94 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.907 56.0 158.6 54.6 45.9 56.8 39.9 80.9 218 222 A I < - 0 0 2 -5,-2.8 -1,-0.2 -6,-0.1 -32,-0.1 -0.886 44.9-113.4-103.2 126.3 53.1 40.7 80.4 219 223 A P - 0 0 6 0, 0.0 -32,-2.2 0, 0.0 2,-0.5 -0.276 27.5-150.0 -57.5 138.0 51.3 39.0 77.4 220 224 A V E -e 187 0B 0 -34,-0.2 38,-2.6 -32,-0.1 39,-1.5 -0.961 9.5-166.9-116.3 123.4 50.3 41.4 74.6 221 225 A V E -ef 188 259B 0 -34,-2.8 -32,-2.9 -2,-0.5 2,-0.8 -0.928 13.5-143.9-111.4 127.2 47.2 40.6 72.5 222 226 A M E -ef 189 260B 0 37,-2.5 39,-2.7 -2,-0.5 2,-1.1 -0.814 6.3-156.9 -93.0 111.7 46.6 42.6 69.3 223 227 A D E +ef 190 261B 1 -34,-2.3 -32,-2.5 -2,-0.8 3,-0.3 -0.791 26.0 170.9 -85.2 104.0 42.8 43.1 68.9 224 228 A S > + 0 0 0 37,-1.9 3,-1.7 -2,-1.1 4,-0.2 -0.133 29.3 133.3-121.3 45.9 42.9 43.6 65.1 225 229 A A T 3 S+ 0 0 2 1,-0.3 42,-1.6 36,-0.2 43,-0.4 0.866 95.2 33.7 -56.1 -34.4 39.5 43.7 63.4 226 230 A R T 3> S+ 0 0 8 -35,-1.1 4,-1.7 -3,-0.3 -1,-0.3 -0.251 75.4 135.4-116.8 48.4 40.9 46.7 61.6 227 231 A F H <> S+ 0 0 3 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.825 73.1 52.0 -62.8 -33.1 44.6 45.9 61.3 228 232 A A H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 107.4 48.9 -72.9 -43.7 44.7 47.0 57.6 229 233 A E H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 111.2 51.9 -65.1 -34.3 43.2 50.5 58.2 230 234 A N H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.935 108.8 50.3 -67.1 -41.6 45.6 51.0 61.0 231 235 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.891 109.8 51.8 -61.1 -38.9 48.5 50.0 58.7 232 236 A Y H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 107.8 50.3 -65.5 -41.9 47.2 52.5 56.1 233 237 A F H X S+ 0 0 8 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.862 109.9 51.7 -65.1 -33.8 47.1 55.3 58.6 234 238 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 7,-0.3 0.926 110.3 47.8 -67.0 -44.3 50.6 54.6 59.6 235 239 A K H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 119.2 41.7 -64.0 -33.2 51.7 54.7 56.0 236 240 A Q H < S+ 0 0 90 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.856 131.0 19.8 -82.1 -38.7 49.9 58.0 55.6 237 241 A R H < S+ 0 0 67 -4,-3.2 2,-1.0 -5,-0.2 -3,-0.2 0.655 103.9 77.6-110.6 -20.4 50.8 59.7 58.9 238 242 A E >< - 0 0 23 -4,-2.5 3,-2.2 -5,-0.4 4,-0.3 -0.808 65.5-155.3 -98.0 101.3 53.9 58.1 60.3 239 243 A A G > S+ 0 0 88 -2,-1.0 3,-1.6 1,-0.3 4,-0.3 0.775 87.0 64.6 -41.0 -42.9 56.8 59.5 58.3 240 244 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.794 109.7 38.5 -55.9 -30.7 59.1 56.6 59.0 241 245 A Y G X S+ 0 0 13 -3,-2.2 3,-1.6 -7,-0.3 -1,-0.3 0.216 78.0 116.4-108.2 14.7 56.8 54.2 57.1 242 246 A K T < S+ 0 0 139 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.826 86.0 36.0 -51.1 -40.1 55.7 56.5 54.2 243 247 A D T 3 S+ 0 0 138 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.313 95.5 105.8 -99.7 7.5 57.4 54.2 51.6 244 248 A W S < S- 0 0 84 -3,-1.6 2,-0.1 -9,-0.1 -3,-0.0 -0.573 72.3-117.0 -85.0 150.7 56.6 50.9 53.2 245 249 A T > - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.452 25.7-110.8 -82.0 161.8 53.9 48.7 51.8 246 250 A I H > S+ 0 0 3 1,-0.2 4,-2.2 76,-0.2 5,-0.2 0.890 121.6 54.0 -57.4 -38.7 50.8 47.8 53.9 247 251 A E H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 108.9 46.3 -63.0 -44.2 52.2 44.3 54.0 248 252 A Q H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.898 112.4 50.7 -66.5 -39.4 55.6 45.4 55.4 249 253 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.895 111.5 49.0 -64.3 -39.5 53.9 47.7 57.9 250 254 A T H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 110.3 49.2 -67.4 -43.5 51.7 44.8 59.1 251 255 A R H < S+ 0 0 122 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.941 116.2 43.8 -61.9 -45.1 54.6 42.4 59.4 252 256 A E H >< S+ 0 0 24 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.936 109.9 56.8 -64.4 -46.3 56.5 45.0 61.4 253 257 A T H >< S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.884 102.6 54.4 -51.9 -45.4 53.5 46.0 63.5 254 258 A Y G >< S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.444 86.0 78.5 -75.7 1.0 52.9 42.4 64.8 255 259 A K G < S+ 0 0 107 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.735 88.4 65.0 -75.1 -20.8 56.4 42.0 66.1 256 260 A Y G < S+ 0 0 39 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 -0.125 98.0 53.8 -98.6 39.3 55.0 44.1 69.0 257 261 A A < - 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