==== 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 LYASE 10-NOV-05 2EZ2 . COMPND 2 MOLECULE: TYROSINE PHENOL-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR D.MILIC,D.MATKOVIC-CALOGOVIC,T.V.DEMIDKINA,A.A.ANTSON . 912 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 647 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.2 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 0 0 2 0 3 3 4 2 3 7 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 5 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 0 PARALLEL BRIDGES PER LADDER . 8 0 2 2 6 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 . 4 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 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.3 7.7 104.2 -4.8 2 2 A N + 0 0 122 1,-0.3 322,-0.1 321,-0.0 321,-0.1 0.913 360.0 23.6 -68.5 -44.6 10.4 104.8 -2.2 3 3 A Y S S- 0 0 67 320,-0.1 -1,-0.3 321,-0.0 314,-0.1 -0.752 82.1-165.6-129.2 84.4 8.6 102.5 0.1 4 4 A P - 0 0 16 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.272 27.3-108.7 -65.2 153.0 6.2 100.0 -1.6 5 5 A A - 0 0 71 1,-0.1 312,-0.1 408,-0.0 408,-0.0 -0.327 53.6 -71.9 -73.3 168.2 3.6 98.2 0.5 6 6 A E - 0 0 63 1,-0.1 2,-1.1 2,-0.1 -1,-0.1 -0.419 39.8-140.7 -62.9 126.7 4.1 94.4 1.1 7 7 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.230 81.5 44.4 -87.5 50.7 3.4 92.6 -2.2 8 8 A F S S- 0 0 71 -2,-1.1 2,-0.3 306,-0.0 -2,-0.1 -0.939 81.7-114.0-168.9 172.9 1.6 89.8 -0.3 9 9 A R - 0 0 237 -2,-0.3 2,-0.6 0, 0.0 0, 0.0 -0.761 36.9 -97.0-113.2 166.4 -0.9 89.4 2.5 10 10 A I + 0 0 128 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.736 37.1 176.9 -82.4 121.8 -0.5 87.9 5.9 11 11 A K - 0 0 163 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.816 69.6 -1.2 -89.3 -42.8 -1.6 84.2 5.8 12 12 A S - 0 0 103 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.991 67.6-147.5-148.4 157.8 -0.7 83.4 9.4 13 13 A V - 0 0 129 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.791 5.9-150.1-124.1 164.4 0.9 85.1 12.4 14 14 A E - 0 0 145 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.999 33.8-108.8-127.6 134.8 3.1 84.5 15.4 15 15 A T - 0 0 128 -2,-0.3 2,-0.3 1,-0.0 0, 0.0 -0.197 28.9-160.3 -61.5 150.1 2.9 86.6 18.7 16 16 A V + 0 0 70 29,-0.0 2,-0.3 2,-0.0 28,-0.1 -0.985 13.9 169.0-125.8 146.7 5.6 89.1 19.8 17 17 A S - 0 0 73 26,-0.4 2,-0.3 -2,-0.3 -2,-0.0 -0.994 24.4-133.1-152.8 157.5 6.3 90.5 23.3 18 18 A M - 0 0 103 -2,-0.3 25,-0.1 26,-0.1 357,-0.1 -0.843 12.6-146.2-109.1 146.2 8.8 92.5 25.3 19 19 A I - 0 0 26 -2,-0.3 5,-0.2 23,-0.3 25,-0.1 -0.874 41.0 -85.9-107.3 149.0 10.2 91.7 28.8 20 20 A P > - 0 0 68 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.110 33.4-110.2 -58.8 164.9 11.1 94.6 31.1 21 21 A R H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.979 119.1 55.5 -57.5 -50.9 14.4 96.4 31.1 22 22 A D H > S+ 0 0 132 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.814 108.4 47.0 -46.7 -41.0 15.2 94.9 34.5 23 23 A E H > S+ 0 0 104 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.954 111.2 51.0 -74.4 -46.6 14.7 91.3 33.2 24 24 A R H X S+ 0 0 7 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.790 104.1 56.7 -49.2 -44.5 16.7 91.9 30.0 25 25 A L H X S+ 0 0 69 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.947 110.0 46.7 -59.7 -46.8 19.8 93.3 31.9 26 26 A K H X S+ 0 0 132 -4,-1.4 4,-2.0 1,-0.2 3,-0.4 0.969 112.5 50.4 -53.5 -58.4 19.8 90.0 33.9 27 27 A K H X S+ 0 0 39 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.819 107.2 54.0 -44.7 -45.6 19.4 88.1 30.6 28 28 A M H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 6,-0.3 0.901 109.6 47.1 -62.9 -40.9 22.4 90.0 29.0 29 29 A Q H ><5S+ 0 0 92 -4,-2.0 3,-1.8 -3,-0.4 -2,-0.2 0.914 109.6 51.9 -68.3 -39.4 24.7 89.2 31.8 30 30 A E H 3<5S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 107.4 54.2 -67.6 -29.4 23.8 85.5 31.8 31 31 A A T ><5S- 0 0 5 -4,-1.4 3,-1.5 -5,-0.2 6,-0.3 0.228 119.8-112.8 -87.3 10.7 24.4 85.3 28.1 32 32 A G T < 5 - 0 0 3 -3,-1.8 421,-2.9 1,-0.3 -3,-0.2 0.756 63.8 -66.8 68.2 27.3 28.0 86.7 28.7 33 33 A Y T 3 S+ 0 0 4 -2,-0.6 3,-1.7 1,-0.3 -1,-0.1 0.829 94.2 65.6 -54.5 -35.6 23.6 88.5 21.8 36 36 A F G 3 S+ 0 0 2 412,-0.3 -1,-0.3 1,-0.3 494,-0.1 0.768 96.8 59.1 -59.9 -24.4 24.0 85.1 20.2 37 37 A L G < S+ 0 0 36 -3,-1.8 -1,-0.3 -6,-0.3 -2,-0.2 0.562 84.3 98.3 -86.7 -6.2 23.6 83.6 23.7 38 38 A L S < S- 0 0 5 -3,-1.7 2,-0.3 -4,-0.3 5,-0.1 -0.344 74.7-109.6 -74.7 169.4 20.0 85.1 24.5 39 39 A N > - 0 0 37 1,-0.1 3,-1.5 -2,-0.1 491,-0.2 -0.757 14.2-125.8-108.5 140.9 16.8 83.0 24.1 40 40 A S G > S+ 0 0 22 490,-2.0 3,-1.1 -2,-0.3 491,-0.2 0.743 110.6 57.4 -54.2 -36.0 14.1 83.5 21.5 41 41 A K G 3 S+ 0 0 104 489,-0.6 -1,-0.3 1,-0.2 -24,-0.1 0.852 105.3 53.8 -65.9 -29.1 11.3 83.9 24.0 42 42 A D G < S+ 0 0 12 -3,-1.5 2,-0.4 488,-0.2 -23,-0.3 0.293 93.6 83.3 -91.9 8.8 13.3 86.8 25.6 43 43 A I < - 0 0 11 -3,-1.1 -26,-0.4 -4,-0.1 3,-0.2 -0.917 56.7-164.2-113.2 135.2 13.6 88.8 22.4 44 44 A Y S S+ 0 0 52 331,-2.1 2,-0.5 -2,-0.4 332,-0.2 0.909 84.4 12.0 -81.6 -56.3 10.9 91.2 21.1 45 45 A I E S-a 376 0A 0 330,-0.9 332,-1.3 -29,-0.1 2,-1.0 -0.989 82.2-145.2-122.8 118.0 11.8 91.9 17.4 46 46 A D E +a 377 0A 20 -2,-0.5 3,-0.3 -3,-0.2 332,-0.1 -0.723 36.5 154.7 -98.0 94.4 14.6 89.4 16.4 47 47 A L + 0 0 0 330,-1.5 359,-2.5 -2,-1.0 332,-0.4 -0.005 36.8 115.5-102.5 26.1 17.1 91.1 14.0 48 48 A L S S- 0 0 0 1,-0.2 2,-0.3 330,-0.2 -1,-0.2 0.938 87.4 -14.9 -56.8 -45.5 20.0 88.8 14.9 49 49 A T - 0 0 6 -3,-0.3 -1,-0.2 357,-0.3 479,-0.1 -0.997 38.9-140.2-159.9 152.6 20.0 87.3 11.4 50 50 A D S S+ 0 0 0 -2,-0.3 2,-0.8 357,-0.1 359,-0.3 0.161 74.2 114.7 -93.6 13.5 18.2 86.9 8.0 51 51 A S S S- 0 0 3 1,-0.2 206,-0.2 2,-0.1 205,-0.1 -0.769 95.8 -23.0 -95.4 109.5 19.5 83.3 8.0 52 52 A G S S+ 0 0 2 204,-3.2 -1,-0.2 -2,-0.8 205,-0.1 0.537 111.8 101.4 77.0 8.8 16.7 80.7 8.2 53 53 A T + 0 0 22 203,-0.4 209,-0.1 -3,-0.1 -2,-0.1 0.259 50.0 125.5-108.2 7.1 14.3 83.1 9.9 54 54 A N - 0 0 6 207,-0.6 2,-0.5 202,-0.4 356,-0.2 -0.283 63.0-115.9 -72.7 151.9 12.2 83.9 6.8 55 55 A A - 0 0 34 354,-2.6 2,-0.1 206,-0.0 -1,-0.1 -0.782 30.6-143.0 -84.4 127.3 8.4 83.6 6.5 56 56 A M - 0 0 21 -2,-0.5 2,-0.2 1,-0.1 205,-0.1 -0.375 16.5-114.1 -80.1 167.1 7.4 81.0 4.0 57 57 A S > - 0 0 18 203,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.511 26.3-103.8 -94.6 170.3 4.3 81.3 1.7 58 58 A D H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.876 123.3 54.1 -55.0 -43.1 1.1 79.3 1.5 59 59 A K H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 107.9 48.4 -63.6 -41.6 2.5 77.6 -1.6 60 60 A Q H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 111.3 50.2 -63.8 -43.4 5.6 76.6 0.2 61 61 A W H X S+ 0 0 69 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.870 107.6 53.3 -63.3 -35.9 3.5 75.2 3.1 62 62 A A H >< S+ 0 0 58 -4,-2.5 3,-1.2 1,-0.2 4,-0.4 0.943 109.5 49.6 -59.0 -45.4 1.4 73.3 0.6 63 63 A G H >< S+ 0 0 5 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.849 101.4 63.0 -57.9 -37.5 4.7 71.8 -0.7 64 64 A M H >< S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.728 100.3 54.0 -61.7 -25.6 5.7 71.0 3.0 65 65 A M T << S+ 0 0 99 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.518 103.9 57.2 -82.5 -14.4 2.6 68.6 3.0 66 66 A M T < S+ 0 0 120 -3,-1.6 2,-0.5 -4,-0.4 -1,-0.2 -0.164 70.4 154.3-110.1 31.5 3.9 66.8 -0.1 67 67 A G < - 0 0 22 -3,-0.5 2,-0.8 1,-0.1 230,-0.1 -0.554 33.1-155.6 -63.6 119.8 7.2 65.8 1.2 68 68 A D - 0 0 17 -2,-0.5 8,-0.3 1,-0.1 9,-0.2 -0.895 11.5-169.5 -92.5 101.8 8.3 62.7 -0.7 69 69 A E + 0 0 31 -2,-0.8 -1,-0.1 227,-0.1 442,-0.1 0.228 30.7 140.3 -90.0 16.3 10.7 61.3 2.0 70 70 A A - 0 0 10 1,-0.1 4,-0.3 3,-0.1 3,-0.1 -0.247 57.8-129.3 -61.7 145.2 12.3 58.6 -0.1 71 71 A Y S S+ 0 0 23 1,-0.2 2,-0.3 435,-0.1 219,-0.3 0.773 92.1 13.6 -66.6 -31.0 16.1 58.0 0.3 72 72 A A S S+ 0 0 2 217,-0.1 -1,-0.2 1,-0.1 433,-0.1 -0.989 122.5 25.8-144.2 147.5 16.6 58.2 -3.5 73 73 A G S S+ 0 0 6 -2,-0.3 424,-2.1 1,-0.2 425,-0.5 0.666 71.8 170.9 77.4 18.1 14.5 59.4 -6.4 74 74 A S > - 0 0 0 -4,-0.3 4,-2.1 216,-0.3 3,-0.4 -0.397 39.2-134.9 -60.3 130.8 12.3 61.8 -4.4 75 75 A E H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.821 107.6 59.4 -49.1 -34.6 10.0 64.0 -6.5 76 76 A N H > S+ 0 0 4 -8,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.889 103.6 48.7 -67.6 -36.6 11.2 66.9 -4.3 77 77 A F H > S+ 0 0 21 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.946 111.0 50.4 -66.2 -45.1 14.8 66.3 -5.2 78 78 A Y H X S+ 0 0 55 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.916 111.6 48.8 -59.0 -41.2 13.9 66.3 -8.9 79 79 A H H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.942 113.2 45.5 -63.8 -49.5 12.0 69.5 -8.5 80 80 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.927 113.6 51.6 -56.1 -47.8 14.9 71.3 -6.6 81 81 A E H X S+ 0 0 50 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.956 113.2 42.0 -58.2 -53.8 17.3 70.0 -9.2 82 82 A R H X S+ 0 0 125 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.846 113.4 53.9 -65.9 -33.6 15.4 71.2 -12.3 83 83 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.931 112.1 43.3 -62.7 -48.1 14.6 74.5 -10.6 84 84 A V H X>S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.9 0.929 113.4 51.8 -67.1 -43.1 18.2 75.3 -9.8 85 85 A Q H X5S+ 0 0 70 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.938 115.8 43.1 -52.6 -48.5 19.4 74.1 -13.4 86 86 A E H <5S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 122.7 34.6 -64.5 -50.2 16.8 76.4 -14.9 87 87 A L H <5S+ 0 0 12 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.861 132.0 26.4 -81.1 -36.7 17.3 79.5 -12.8 88 88 A F H <5S- 0 0 2 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.662 92.9-137.7 -99.0 -22.6 21.1 79.4 -12.1 89 89 A G << + 0 0 37 -4,-1.1 2,-0.2 -5,-0.9 -4,-0.2 0.645 50.3 140.4 78.2 13.3 22.1 77.4 -15.3 90 90 A F - 0 0 6 -6,-0.4 -1,-0.2 1,-0.1 180,-0.2 -0.610 52.9-132.2 -86.4 155.8 24.7 75.0 -13.7 91 91 A K S S+ 0 0 104 -2,-0.2 2,-0.3 178,-0.2 179,-0.2 0.883 81.9 34.0 -73.8 -41.0 24.9 71.4 -14.9 92 92 A H E -B 269 0B 29 177,-2.5 177,-1.6 -8,-0.1 2,-0.4 -0.873 58.4-166.9-126.8 149.8 24.9 69.7 -11.5 93 93 A I E -B 268 0B 3 -2,-0.3 175,-0.2 175,-0.2 -12,-0.1 -0.995 5.8-173.2-136.5 137.6 23.5 70.1 -8.1 94 94 A V E -B 267 0B 0 173,-2.6 173,-2.9 -2,-0.4 196,-0.1 -0.971 24.9-138.5-125.3 114.4 24.3 68.5 -4.7 95 95 A P E -B 266 0B 0 0, 0.0 171,-0.3 0, 0.0 2,-0.3 -0.390 21.2-173.6 -69.2 151.8 21.9 69.5 -1.9 96 96 A T E -B 265 0B 0 169,-2.2 169,-1.7 157,-0.1 197,-0.2 -0.914 39.2-109.4-139.5 165.2 23.4 70.2 1.6 97 97 A H S S- 0 0 0 -2,-0.3 167,-2.0 167,-0.2 2,-0.3 0.853 94.7 -26.9 -73.1 -27.0 21.6 70.9 4.9 98 98 A Q S >> S- 0 0 3 165,-0.2 4,-1.3 166,-0.1 3,-0.7 -0.933 81.5 -70.6-167.2-170.8 22.8 74.5 4.7 99 99 A G H 3> S+ 0 0 7 165,-0.3 4,-2.2 -2,-0.3 3,-0.3 0.872 120.3 53.8 -64.9 -43.2 25.5 76.8 3.2 100 100 A R H 3> S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.766 104.1 58.7 -70.3 -20.2 28.5 75.8 5.4 101 101 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.913 108.4 45.6 -64.4 -43.9 28.0 72.2 4.4 102 102 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -2,-0.2 0.862 112.1 51.5 -66.8 -36.5 28.4 73.2 0.8 103 103 A E H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.892 105.6 55.3 -66.4 -40.1 31.5 75.3 1.7 104 104 A N H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.953 111.9 44.6 -55.5 -47.8 33.0 72.3 3.5 105 105 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.950 114.3 47.1 -63.2 -51.4 32.6 70.3 0.2 106 106 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 112.8 48.8 -58.3 -46.4 33.9 73.1 -2.1 107 107 A S H X S+ 0 0 3 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.847 114.7 45.4 -63.0 -38.2 37.0 73.8 0.1 108 108 A Q H < S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.865 118.4 43.6 -71.3 -35.4 37.8 70.1 0.3 109 109 A L H < S+ 0 0 48 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.831 122.3 31.9 -78.4 -36.3 37.3 69.5 -3.4 110 110 A A H < S+ 0 0 26 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 0.424 97.7 83.6-112.8 0.8 39.0 72.6 -4.8 111 111 A I < - 0 0 16 -4,-0.9 24,-0.1 -5,-0.2 6,-0.0 -0.925 48.9-163.2-117.2 127.6 42.0 73.5 -2.6 112 112 A K > - 0 0 136 -2,-0.5 3,-2.5 4,-0.1 64,-0.1 -0.894 45.1 -94.4 -97.7 134.4 45.5 72.2 -2.5 113 113 A P T 3 S+ 0 0 111 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.184 113.1 25.2 -48.0 133.7 47.4 73.0 0.7 114 114 A G T 3 S+ 0 0 52 20,-2.8 21,-0.1 1,-0.3 20,-0.1 0.228 94.9 122.7 91.9 -14.3 49.5 76.2 0.2 115 115 A Q < - 0 0 13 -3,-2.5 21,-1.9 1,-0.1 2,-0.4 -0.277 59.3-120.0 -75.0 165.2 47.2 77.6 -2.6 116 116 A Y E -cd 136 175B 51 58,-2.8 60,-2.4 19,-0.2 61,-0.7 -0.866 16.0-162.9-106.3 142.5 45.6 81.0 -2.4 117 117 A V E -cd 137 177B 0 19,-1.9 21,-2.3 -2,-0.4 2,-0.4 -0.998 14.2-163.0-117.2 128.1 41.8 81.7 -2.6 118 118 A A E +cd 138 178B 0 59,-1.4 61,-2.9 -2,-0.5 2,-0.3 -0.912 17.1 159.6-114.3 141.0 41.0 85.3 -3.4 119 119 A G E -cd 139 179B 2 19,-2.1 21,-3.1 -2,-0.4 2,-1.6 -0.939 51.3 -85.7-151.5 171.9 37.7 86.9 -2.8 120 120 A N S S- 0 0 2 59,-1.1 61,-0.1 -2,-0.3 19,-0.1 -0.606 100.1 -36.4 -86.3 80.9 35.7 90.0 -2.3 121 121 A M S S- 0 0 16 -2,-1.6 -1,-0.2 17,-0.1 60,-0.1 0.390 84.8 -82.7 75.4 143.9 36.2 90.5 1.5 122 122 A Y - 0 0 31 -3,-0.1 64,-0.3 15,-0.1 2,-0.3 -0.224 33.9-153.5 -69.5 159.8 36.3 87.6 3.9 123 123 A F > - 0 0 45 1,-0.1 4,-3.7 62,-0.1 5,-0.3 -0.984 22.4-119.2-132.1 154.9 33.4 85.8 5.4 124 124 A T H > S+ 0 0 10 -2,-0.3 4,-2.0 2,-0.2 322,-0.1 0.927 108.0 26.9 -55.9 -67.9 33.4 83.9 8.8 125 125 A T H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 122.4 56.3 -66.1 -37.9 32.6 80.3 7.9 126 126 A T H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.954 109.1 44.0 -56.6 -53.6 34.1 80.7 4.4 127 127 A R H X S+ 0 0 49 -4,-3.7 4,-2.7 1,-0.2 5,-0.3 0.897 112.0 54.8 -63.4 -39.1 37.5 81.9 5.6 128 128 A Y H X S+ 0 0 54 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.943 109.1 45.5 -60.1 -47.3 37.5 79.1 8.2 129 129 A H H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.853 114.2 50.5 -67.1 -33.6 36.9 76.3 5.7 130 130 A Q H ><>S+ 0 0 3 -4,-2.2 5,-2.5 -5,-0.2 3,-0.5 0.975 115.8 40.0 -59.4 -58.4 39.6 77.8 3.3 131 131 A E H ><5S+ 0 0 37 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.862 111.5 57.4 -64.3 -37.0 42.2 78.1 6.0 132 132 A K H 3<5S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.797 107.0 49.7 -67.4 -26.7 41.3 74.7 7.6 133 133 A N T <<5S- 0 0 35 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.351 129.8 -96.5 -93.0 5.0 41.9 73.1 4.2 134 134 A G T < 5S+ 0 0 31 -3,-1.4 -20,-2.8 1,-0.3 -3,-0.2 0.553 78.0 134.5 100.8 10.9 45.3 74.8 3.9 135 135 A A < - 0 0 5 -5,-2.5 2,-0.5 -22,-0.2 -1,-0.3 -0.603 50.4-133.1 -91.6 153.9 44.6 77.9 1.9 136 136 A V E -c 116 0B 74 -21,-1.9 -19,-1.9 -2,-0.2 2,-0.4 -0.925 25.0-133.1 -99.4 124.2 45.7 81.5 2.4 137 137 A F E -c 117 0B 22 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.646 20.1-167.4 -79.6 132.5 42.8 84.0 2.0 138 138 A V E -c 118 0B 36 -21,-2.3 -19,-2.1 -2,-0.4 2,-0.6 -0.980 15.1-139.5-122.9 121.4 43.5 87.1 -0.1 139 139 A D E +c 119 0B 49 -2,-0.5 -19,-0.2 -21,-0.2 -21,-0.1 -0.692 27.4 167.8 -82.9 116.5 41.1 90.0 -0.1 140 140 A I + 0 0 2 -21,-3.1 19,-3.4 -2,-0.6 23,-0.2 0.191 33.7 121.9-114.8 17.0 40.7 91.5 -3.6 141 141 A V B S-H 158 0C 0 -22,-0.6 17,-0.2 17,-0.3 16,-0.1 -0.379 77.0 -88.3 -68.3 153.6 37.7 93.7 -3.0 142 142 A R > - 0 0 62 15,-1.7 3,-1.4 13,-0.2 4,-0.4 -0.344 36.3-115.9 -58.9 145.3 38.2 97.5 -3.7 143 143 A D G > S+ 0 0 102 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.828 112.0 67.0 -50.5 -36.8 39.6 99.5 -0.8 144 144 A E G > S+ 0 0 75 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.767 83.9 71.2 -60.6 -29.7 36.3 101.5 -0.6 145 145 A A G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.764 97.4 53.1 -54.7 -28.1 34.3 98.5 0.4 146 146 A H G < S+ 0 0 41 -3,-1.7 2,-0.9 -4,-0.4 -1,-0.3 0.396 87.2 91.3 -87.9 -1.3 36.2 98.8 3.8 147 147 A D X - 0 0 68 -3,-2.3 3,-1.0 1,-0.2 191,-0.2 -0.839 61.1-166.0-103.2 99.0 35.2 102.4 4.1 148 148 A A T 3 S+ 0 0 9 -2,-0.9 190,-3.0 1,-0.3 -1,-0.2 0.815 83.6 42.0 -54.5 -44.3 31.9 102.4 6.1 149 149 A G T 3 S+ 0 0 36 188,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.648 86.6 108.0 -82.7 -13.1 30.7 105.9 5.5 150 150 A L < - 0 0 63 -3,-1.0 2,-1.4 -6,-0.2 -3,-0.1 -0.498 59.8-151.0 -76.1 113.6 31.7 106.1 1.8 151 151 A N + 0 0 89 -2,-0.6 2,-0.3 186,-0.0 -1,-0.1 -0.647 39.0 139.9 -89.2 89.0 28.5 106.0 -0.3 152 152 A I - 0 0 44 -2,-1.4 3,-0.5 186,-0.2 2,-0.1 -0.966 49.9-112.2-126.6 149.4 29.5 104.4 -3.6 153 153 A A S S+ 0 0 46 -2,-0.3 40,-0.1 1,-0.2 37,-0.0 -0.379 92.3 17.0 -74.9 154.6 27.5 101.9 -5.7 154 154 A F > + 0 0 19 1,-0.1 3,-1.8 38,-0.1 39,-0.3 0.857 66.4 168.4 52.7 47.8 28.6 98.2 -6.2 155 155 A K T 3 + 0 0 0 -3,-0.5 -13,-0.2 1,-0.3 -10,-0.2 0.598 67.9 70.2 -63.5 -13.6 31.0 98.2 -3.2 156 156 A G T 3 S+ 0 0 0 35,-2.4 -1,-0.3 -15,-0.1 36,-0.2 0.599 73.3 125.3 -81.8 -8.8 31.2 94.4 -3.5 157 157 A D < - 0 0 23 -3,-1.8 -15,-1.7 34,-0.5 2,-0.2 -0.146 64.0-119.1 -56.6 137.1 33.2 94.7 -6.8 158 158 A I B -H 141 0C 5 -17,-0.2 2,-0.9 1,-0.1 -17,-0.3 -0.557 24.1-119.8 -72.8 137.3 36.5 92.9 -7.1 159 159 A D > - 0 0 43 -19,-3.4 4,-2.1 -2,-0.2 3,-0.3 -0.759 20.9-158.6 -76.7 108.2 39.5 95.2 -7.7 160 160 A L H > S+ 0 0 49 -2,-0.9 4,-3.0 1,-0.2 -1,-0.2 0.808 91.0 55.9 -62.2 -31.6 40.8 93.8 -11.1 161 161 A K H > S+ 0 0 174 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.888 107.4 49.4 -62.6 -43.2 44.2 95.4 -10.4 162 162 A K H > S+ 0 0 54 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.877 112.3 47.4 -66.5 -39.9 44.4 93.4 -7.2 163 163 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -23,-0.2 -2,-0.2 0.947 113.1 48.4 -64.8 -49.8 43.4 90.2 -9.0 164 164 A Q H X S+ 0 0 61 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.940 111.4 50.9 -51.3 -50.6 46.0 90.9 -11.7 165 165 A K H X S+ 0 0 117 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.939 108.1 52.1 -53.0 -51.5 48.6 91.6 -9.1 166 166 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 5,-0.5 0.887 110.6 47.8 -53.4 -44.3 47.8 88.3 -7.3 167 167 A I H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.915 113.6 47.6 -64.0 -44.2 48.2 86.4 -10.5 168 168 A D H < S+ 0 0 117 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.3 39.0 -60.9 -43.5 51.5 88.1 -11.3 169 169 A E H < S+ 0 0 120 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.791 129.3 25.8 -83.4 -29.7 52.9 87.5 -7.8 170 170 A K H < S- 0 0 75 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.726 102.3-117.9-107.7 -28.1 51.7 84.0 -7.0 171 171 A G >< - 0 0 17 -4,-1.8 3,-1.7 -5,-0.5 4,-0.2 0.372 23.1-103.4 86.6 133.0 51.2 82.4 -10.4 172 172 A A G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.810 118.1 65.6 -57.3 -35.6 47.8 81.2 -11.6 173 173 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.742 100.7 52.1 -61.3 -21.6 48.6 77.6 -10.9 174 174 A N G < S+ 0 0 70 -3,-1.7 -58,-2.8 -7,-0.1 2,-0.7 0.386 88.2 90.1 -98.8 3.3 48.8 78.5 -7.2 175 175 A I E < -d 116 0B 7 -3,-1.8 35,-0.3 -60,-0.2 -58,-0.2 -0.908 59.8-163.8 -98.4 113.6 45.4 80.2 -7.0 176 176 A A E - 0 0 14 -60,-2.4 34,-0.5 -2,-0.7 2,-0.3 0.938 62.8 -51.2 -60.1 -49.8 42.8 77.5 -6.1 177 177 A Y E -d 117 0B 3 -61,-0.7 -59,-1.4 32,-0.1 2,-0.5 -0.952 50.7 -98.1-174.9 165.9 39.9 79.7 -7.3 178 178 A I E -de 118 211B 0 32,-2.3 34,-2.7 -2,-0.3 2,-0.7 -0.892 31.8-150.3 -94.2 130.4 38.3 83.2 -7.0 179 179 A C E -de 119 212B 15 -61,-2.9 -59,-1.1 -2,-0.5 2,-0.6 -0.919 14.6-173.5-103.7 109.2 35.4 83.3 -4.5 180 180 A L E - e 0 213B 0 32,-2.0 34,-2.1 -2,-0.7 2,-0.4 -0.907 7.4-157.9-108.2 111.8 32.9 85.9 -5.5 181 181 A A E - e 0 214B 16 -2,-0.6 2,-0.4 32,-0.3 34,-0.2 -0.746 11.5-134.9 -88.9 135.8 30.1 86.6 -3.0 182 182 A V S S+ 0 0 0 32,-2.5 35,-1.3 -2,-0.4 2,-0.1 -0.983 92.7 10.3-131.0 117.2 26.8 88.1 -4.2 183 183 A T S S- 0 0 6 -2,-0.4 2,-0.7 7,-0.4 34,-0.3 0.802 95.3-124.4 -68.8 179.6 26.0 90.3 -2.3 184 184 A V B > -I 190 0D 3 6,-2.6 6,-2.1 1,-0.2 5,-1.3 -0.837 21.4-158.9 -93.2 119.8 29.0 90.8 0.0 185 185 A N T >>5S+ 0 0 14 -2,-0.7 3,-1.9 4,-0.2 4,-1.1 0.950 81.1 43.2 -67.4 -58.8 27.8 90.3 3.6 186 186 A L T 345S+ 0 0 11 -64,-0.3 -1,-0.2 1,-0.3 216,-0.1 0.563 103.2 64.6 -76.8 -7.6 30.3 92.0 5.8 187 187 A A T 345S- 0 0 0 -3,-0.4 -1,-0.3 3,-0.1 -2,-0.2 0.486 135.8 -81.4 -84.6 -4.3 30.7 95.1 3.6 188 188 A G T <45S- 0 0 1 -3,-1.9 153,-0.4 -4,-0.2 156,-0.3 0.608 79.1 -58.5 112.3 23.2 27.0 95.8 4.5 189 189 A G S < - 0 0 9 -2,-0.4 4,-2.0 -39,-0.3 5,-0.2 -0.478 12.9-124.9 -79.0 151.2 27.9 94.6 -10.9 194 194 A M H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 113.8 59.7 -55.3 -40.9 27.4 92.4 -13.9 195 195 A A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 106.6 46.5 -55.7 -44.7 30.2 94.3 -15.5 196 196 A N H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.890 109.8 51.9 -64.7 -45.5 32.6 93.2 -12.7 197 197 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 113.3 46.9 -58.0 -39.4 31.4 89.5 -12.9 198 198 A R H X S+ 0 0 133 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.944 112.5 47.7 -66.6 -49.2 32.1 89.6 -16.6 199 199 A A H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.876 113.1 49.5 -60.2 -41.6 35.5 91.2 -16.2 200 200 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.921 111.1 48.9 -63.4 -43.1 36.4 88.7 -13.5 201 201 A R H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.923 111.7 49.8 -62.6 -44.6 35.3 85.8 -15.7 202 202 A E H X S+ 0 0 98 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.906 114.4 43.1 -63.1 -42.8 37.3 87.1 -18.7 203 203 A L H X S+ 0 0 35 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.929 116.4 45.2 -71.1 -48.3 40.5 87.5 -16.7 204 204 A T H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-1.1 0.909 110.4 55.0 -61.0 -43.2 40.4 84.3 -14.7 205 205 A E H ><5S+ 0 0 58 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 0.862 101.9 58.1 -59.2 -37.5 39.5 82.2 -17.8 206 206 A A H 3<5S+ 0 0 81 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.744 113.6 39.3 -62.9 -25.5 42.5 83.6 -19.6 207 207 A H T <<5S- 0 0 77 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.323 115.2-112.7-107.1 3.2 44.7 82.1 -16.8 208 208 A G T < 5 + 0 0 68 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.713 66.0 149.6 70.9 25.3 42.7 78.9 -16.4 209 209 A I < - 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