==== 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 14-JAN-08 2VLF . COMPND 2 MOLECULE: TYROSINE PHENOL-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR D.MILIC,T.V.DEMIDKINA,D.MATKOVIC-CALOGOVIC,A.A.ANTSON . 913 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.3 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 . 306 33.5 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 4 6 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 86 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.9 58.0 104.0 35.4 2 2 A N + 0 0 123 1,-0.3 322,-0.1 322,-0.0 0, 0.0 0.958 360.0 7.9 -61.1 -55.1 55.9 104.9 32.3 3 3 A Y S S- 0 0 81 320,-0.1 -1,-0.3 321,-0.0 314,-0.1 -0.804 78.6-160.0-134.9 96.5 57.4 102.4 29.9 4 4 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 316,-0.0 -0.327 23.9-109.4 -72.3 155.2 59.9 99.9 31.4 5 5 A A - 0 0 75 1,-0.2 312,-0.1 -2,-0.0 316,-0.0 -0.372 54.8 -70.5 -73.6 167.1 62.5 98.1 29.3 6 6 A E - 0 0 62 1,-0.1 2,-1.0 -2,-0.1 -1,-0.2 -0.325 40.0-141.3 -61.6 125.7 62.0 94.3 28.7 7 7 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.234 82.1 45.7 -84.9 48.0 62.7 92.5 32.1 8 8 A F S S- 0 0 70 -2,-1.0 2,-0.3 306,-0.0 -2,-0.0 -0.933 82.6-114.8-166.7 171.1 64.6 89.7 30.2 9 9 A R - 0 0 235 -2,-0.3 2,-0.5 0, 0.0 0, 0.0 -0.759 37.9 -96.8-111.7 163.7 67.2 89.3 27.4 10 10 A I + 0 0 124 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.741 37.1 178.3 -80.1 125.2 66.6 87.8 23.9 11 11 A K - 0 0 166 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.829 68.6 -1.7 -91.3 -45.1 67.8 84.2 23.9 12 12 A S - 0 0 103 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.982 67.7-144.2-145.5 163.0 66.9 83.4 20.3 13 13 A V - 0 0 126 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.794 7.3-149.6-126.8 158.5 65.3 85.1 17.4 14 14 A E - 0 0 142 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.997 35.0-115.9-120.3 134.2 62.9 84.5 14.3 15 15 A T - 0 0 138 -2,-0.4 2,-0.3 1,-0.0 0, 0.0 -0.292 28.7-158.8 -69.6 145.7 63.5 86.6 11.2 16 16 A V + 0 0 70 2,-0.0 2,-0.3 29,-0.0 28,-0.1 -0.975 16.2 164.7-122.7 149.8 60.6 89.0 10.1 17 17 A S - 0 0 81 26,-0.4 2,-0.4 -2,-0.3 0, 0.0 -0.980 27.3-126.7-156.9 164.4 60.0 90.6 6.7 18 18 A M - 0 0 106 -2,-0.3 25,-0.1 26,-0.1 3,-0.1 -0.975 12.4-144.8-124.4 126.6 57.4 92.3 4.6 19 19 A I - 0 0 31 -2,-0.4 5,-0.2 23,-0.2 25,-0.1 -0.611 44.7 -84.7 -78.3 149.4 56.1 91.4 1.1 20 20 A P >> - 0 0 64 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.047 33.6-111.3 -60.1 159.1 55.2 94.4 -1.2 21 21 A R H 3> S+ 0 0 104 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.885 119.5 57.8 -53.9 -42.6 51.9 96.2 -1.1 22 22 A D H 3> S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.870 109.8 43.9 -56.6 -36.6 51.1 94.7 -4.5 23 23 A E H <> S+ 0 0 100 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.934 111.2 52.7 -78.2 -44.8 51.6 91.2 -3.2 24 24 A R H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.848 105.9 55.6 -50.6 -43.9 49.7 91.9 0.0 25 25 A L H X S+ 0 0 82 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.935 109.6 46.0 -55.0 -50.0 46.7 93.2 -2.1 26 26 A K H X S+ 0 0 124 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.925 113.4 49.6 -57.6 -48.5 46.7 89.9 -4.0 27 27 A K H X S+ 0 0 46 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.829 108.1 52.9 -62.4 -39.9 46.9 87.8 -0.7 28 28 A M H <>S+ 0 0 1 -4,-2.5 5,-2.5 2,-0.2 6,-0.3 0.923 111.7 45.7 -64.8 -42.6 44.1 89.8 0.9 29 29 A Q H ><5S+ 0 0 127 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.936 110.7 52.8 -62.4 -46.8 41.8 89.1 -2.0 30 30 A E H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.5 54.2 -62.0 -29.5 42.8 85.4 -2.1 31 31 A A T ><5S- 0 0 4 -4,-1.7 3,-1.8 -5,-0.2 6,-0.3 0.242 117.7-116.0 -84.0 10.5 42.0 85.2 1.7 32 32 A G T < 5 - 0 0 5 -3,-2.2 421,-2.9 1,-0.3 -3,-0.2 0.856 64.8 -66.6 53.8 37.8 38.4 86.6 0.8 33 33 A Y T 3 S+ 0 0 0 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.790 93.5 68.0 -54.8 -28.8 42.6 88.2 8.0 36 36 A F G 3 S+ 0 0 3 412,-0.3 -1,-0.3 1,-0.2 413,-0.1 0.824 95.6 57.4 -58.9 -27.2 42.2 84.7 9.5 37 37 A L G < S+ 0 0 41 -3,-2.0 -1,-0.2 -6,-0.3 -2,-0.2 0.516 82.9 102.3 -90.5 -3.4 42.7 83.3 6.0 38 38 A L S < S- 0 0 4 -3,-1.3 2,-0.2 -4,-0.3 -10,-0.1 -0.478 75.4-110.9 -71.1 154.1 46.2 84.8 5.3 39 39 A N > - 0 0 40 -2,-0.1 3,-1.1 1,-0.1 490,-0.2 -0.577 15.4-126.7 -87.1 146.9 49.4 82.7 5.6 40 40 A S G > S+ 0 0 21 489,-2.5 3,-1.9 1,-0.3 490,-0.2 0.873 110.0 59.2 -59.3 -43.1 52.0 83.3 8.4 41 41 A K G 3 S+ 0 0 115 488,-0.6 -1,-0.3 1,-0.3 -24,-0.1 0.788 102.3 56.3 -56.9 -27.2 54.8 83.5 5.9 42 42 A D G < S+ 0 0 12 -3,-1.1 2,-0.4 487,-0.2 -1,-0.3 0.305 91.4 90.5 -89.7 6.4 52.9 86.5 4.3 43 43 A I < - 0 0 13 -3,-1.9 -26,-0.4 1,-0.2 3,-0.2 -0.900 52.3-168.0-112.0 134.2 52.7 88.5 7.5 44 44 A Y S S+ 0 0 51 331,-2.1 2,-0.4 -2,-0.4 332,-0.2 0.955 86.3 8.5 -81.5 -59.2 55.3 91.1 8.7 45 45 A I E S-a 376 0A 0 330,-1.1 332,-1.9 -29,-0.1 2,-1.0 -0.992 78.9-147.6-125.4 121.0 54.1 91.6 12.3 46 46 A D E +a 377 0A 23 -2,-0.4 3,-0.3 330,-0.2 332,-0.1 -0.745 33.8 155.9-103.3 94.8 51.4 89.2 13.4 47 47 A L + 0 0 0 330,-1.9 359,-2.6 -2,-1.0 332,-0.4 0.002 36.2 117.3-102.5 26.4 49.0 90.7 15.9 48 48 A L S S- 0 0 0 330,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.946 87.0 -17.4 -56.4 -47.0 46.1 88.4 15.0 49 49 A T - 0 0 1 -3,-0.3 -1,-0.2 357,-0.2 478,-0.1 -0.997 39.5-137.3-159.0 153.0 46.1 87.0 18.6 50 50 A D S S+ 0 0 0 -2,-0.3 2,-0.8 357,-0.1 359,-0.3 0.231 74.9 115.8 -88.0 8.3 48.1 86.7 21.9 51 51 A S S S- 0 0 1 863,-0.3 206,-0.2 1,-0.2 205,-0.1 -0.723 94.5 -22.1 -87.2 108.4 46.8 83.0 21.9 52 52 A G S S+ 0 0 2 204,-2.8 -1,-0.2 -2,-0.8 205,-0.1 0.552 111.7 101.7 79.9 6.8 49.6 80.4 21.6 53 53 A T + 0 0 22 203,-0.4 209,-0.1 -3,-0.2 -2,-0.1 0.306 50.1 126.0-108.2 7.6 52.0 82.9 20.0 54 54 A N - 0 0 5 207,-0.6 2,-0.5 202,-0.3 356,-0.2 -0.239 62.3-118.9 -71.3 149.3 54.1 83.6 23.1 55 55 A A - 0 0 37 354,-2.3 2,-0.1 206,-0.0 -1,-0.1 -0.833 30.3-142.6 -84.7 127.1 57.9 83.3 23.4 56 56 A M - 0 0 20 -2,-0.5 2,-0.1 1,-0.1 205,-0.1 -0.387 16.7-111.8 -82.1 165.6 58.9 80.8 26.0 57 57 A S > - 0 0 18 203,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.440 25.8-105.7 -93.4 168.4 61.9 81.2 28.2 58 58 A D H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 123.1 54.1 -57.2 -37.9 65.2 79.3 28.3 59 59 A K H > S+ 0 0 149 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 108.4 47.3 -67.2 -41.4 63.9 77.6 31.5 60 60 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 111.2 51.5 -64.3 -42.8 60.7 76.4 29.7 61 61 A W H X S+ 0 0 71 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.894 107.4 53.2 -62.4 -36.6 62.8 75.2 26.8 62 62 A A H >< S+ 0 0 59 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.942 108.8 49.9 -60.0 -43.5 65.0 73.2 29.3 63 63 A G H >< S+ 0 0 5 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.870 102.3 62.6 -60.1 -37.0 61.7 71.7 30.6 64 64 A M H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.714 99.4 53.4 -58.4 -29.1 60.8 70.9 26.9 65 65 A M T << S+ 0 0 104 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.517 104.4 58.7 -80.2 -11.4 63.9 68.6 26.8 66 66 A M T < + 0 0 121 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 -0.098 70.0 154.0-110.7 30.3 62.6 66.7 29.9 67 67 A G < - 0 0 22 -3,-0.6 2,-0.8 1,-0.1 230,-0.1 -0.491 32.2-157.0 -59.4 124.0 59.3 65.6 28.6 68 68 A D - 0 0 18 -2,-0.3 8,-0.3 1,-0.1 9,-0.2 -0.926 10.7-168.8-106.0 100.8 58.2 62.5 30.4 69 69 A E + 0 0 30 -2,-0.8 -1,-0.1 227,-0.1 441,-0.1 0.245 30.1 141.4 -88.1 16.6 55.9 61.1 27.8 70 70 A A - 0 0 9 1,-0.1 4,-0.3 3,-0.1 3,-0.1 -0.214 56.0-130.9 -62.6 149.7 54.2 58.4 29.9 71 71 A Y S S+ 0 0 11 1,-0.2 2,-0.3 434,-0.1 219,-0.3 0.756 92.2 14.4 -75.2 -27.7 50.5 57.9 29.4 72 72 A A S S+ 0 0 1 217,-0.1 -1,-0.2 219,-0.1 432,-0.1 -0.984 124.1 25.6-142.7 148.0 49.9 57.9 33.2 73 73 A G S S+ 0 0 7 -2,-0.3 423,-2.3 1,-0.2 424,-0.5 0.656 72.1 167.8 78.2 13.1 52.1 59.0 36.1 74 74 A S >> - 0 0 0 216,-0.3 4,-1.9 -4,-0.3 3,-0.6 -0.391 40.7-134.0 -60.7 135.9 54.2 61.5 34.1 75 75 A E H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.814 107.2 61.1 -55.9 -30.4 56.4 63.8 36.3 76 76 A N H 3> S+ 0 0 5 -8,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 102.3 50.0 -69.9 -33.1 55.2 66.7 34.1 77 77 A F H <> S+ 0 0 21 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.926 110.6 49.4 -63.9 -49.0 51.6 66.1 35.1 78 78 A Y H X S+ 0 0 55 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.883 111.3 49.9 -59.9 -37.6 52.5 66.0 38.8 79 79 A H H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.955 113.4 45.3 -66.8 -48.5 54.4 69.3 38.3 80 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.936 113.8 51.0 -57.0 -50.6 51.5 71.0 36.5 81 81 A E H X S+ 0 0 50 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.943 113.5 41.7 -55.5 -54.2 49.0 69.7 39.1 82 82 A R H X S+ 0 0 126 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.865 113.5 54.2 -68.2 -29.7 50.9 70.9 42.1 83 83 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.955 112.3 42.5 -64.2 -49.9 51.8 74.2 40.5 84 84 A V H X>S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-1.0 0.914 113.8 52.2 -65.7 -41.3 48.1 75.0 39.7 85 85 A Q H X5S+ 0 0 70 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.927 115.2 43.0 -56.6 -44.2 47.0 73.7 43.2 86 86 A E H <5S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.927 122.6 34.9 -66.0 -49.1 49.6 76.1 44.7 87 87 A L H <5S+ 0 0 12 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.815 130.2 28.0 -82.3 -33.7 49.0 79.2 42.6 88 88 A F H <5S- 0 0 2 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.674 92.4-135.8-104.9 -25.7 45.2 79.0 42.0 89 89 A G << + 0 0 35 -5,-1.0 2,-0.2 -4,-0.8 -4,-0.2 0.635 51.2 141.2 84.0 12.3 44.1 77.2 45.1 90 90 A F - 0 0 6 -6,-0.5 -1,-0.3 1,-0.1 180,-0.2 -0.585 52.5-132.9 -85.6 155.4 41.6 74.7 43.6 91 91 A K S S+ 0 0 105 -2,-0.2 2,-0.3 1,-0.1 179,-0.2 0.890 82.0 29.3 -72.6 -40.2 41.4 71.1 44.8 92 92 A H E -B 269 0B 25 177,-2.2 177,-1.6 -8,-0.1 2,-0.4 -0.903 58.7-164.8-132.5 147.9 41.5 69.2 41.4 93 93 A I E -B 268 0B 3 -2,-0.3 175,-0.2 175,-0.2 -12,-0.1 -0.993 5.6-172.2-134.7 141.1 42.8 69.8 37.9 94 94 A V E -B 267 0B 0 173,-2.7 173,-2.5 -2,-0.4 196,-0.1 -0.973 24.6-138.7-127.3 112.3 42.1 68.1 34.6 95 95 A P E -B 266 0B 0 0, 0.0 171,-0.3 0, 0.0 2,-0.3 -0.394 21.4-174.6 -69.9 152.6 44.4 69.1 31.8 96 96 A T E -B 265 0B 0 169,-2.1 169,-1.5 157,-0.1 197,-0.2 -0.930 39.8-108.0-138.7 165.2 43.0 69.8 28.3 97 97 A H S S- 0 0 0 -2,-0.3 167,-1.6 167,-0.2 2,-0.3 0.871 94.3 -26.5 -70.1 -30.8 44.7 70.5 25.0 98 98 A Q S >> S- 0 0 0 165,-0.2 4,-1.2 166,-0.1 3,-0.8 -0.927 81.4 -72.2-164.5-174.7 43.5 74.2 25.2 99 99 A G H 3> S+ 0 0 1 165,-0.3 4,-2.2 -2,-0.3 3,-0.4 0.879 121.2 54.4 -61.5 -44.7 40.7 76.4 26.7 100 100 A R H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.772 104.6 58.5 -65.6 -18.8 37.8 75.4 24.4 101 101 A G H <> S+ 0 0 0 -3,-0.8 4,-1.5 2,-0.2 -1,-0.3 0.900 107.4 45.5 -72.4 -39.9 38.5 71.8 25.4 102 102 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.4 -2,-0.2 0.873 111.1 53.5 -69.5 -34.0 38.0 72.8 29.1 103 103 A E H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.870 104.4 56.0 -67.0 -37.5 34.8 74.8 28.1 104 104 A N H X S+ 0 0 1 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.941 111.3 43.6 -54.5 -47.9 33.5 71.6 26.4 105 105 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.964 115.0 47.2 -66.8 -52.6 33.9 69.7 29.7 106 106 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.933 112.7 48.0 -51.3 -52.9 32.4 72.5 31.9 107 107 A S H X S+ 0 0 2 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.879 114.2 46.3 -63.5 -38.2 29.4 73.1 29.8 108 108 A Q H < S+ 0 0 47 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.895 118.9 42.8 -69.0 -38.2 28.5 69.4 29.4 109 109 A L H < S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.824 122.0 33.5 -77.4 -33.1 29.0 68.9 33.2 110 110 A A H < S+ 0 0 27 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 0.461 97.9 80.9-111.9 -1.6 27.3 71.9 34.6 111 111 A I < - 0 0 16 -4,-1.1 24,-0.1 -5,-0.2 6,-0.0 -0.919 50.4-161.8-116.5 128.9 24.3 72.9 32.4 112 112 A K > - 0 0 150 -2,-0.5 3,-2.1 4,-0.1 64,-0.1 -0.911 46.7 -92.2 -97.2 133.5 20.8 71.4 32.3 113 113 A P T 3 S+ 0 0 113 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.169 113.6 26.5 -42.9 125.6 18.9 72.2 29.0 114 114 A G T 3 S+ 0 0 53 20,-3.2 21,-0.2 1,-0.3 20,-0.1 0.264 93.3 124.1 103.5 -12.2 16.9 75.4 29.5 115 115 A Q < - 0 0 26 -3,-2.1 21,-2.6 19,-0.1 2,-0.4 -0.275 58.6-116.1 -77.3 165.3 19.1 77.0 32.2 116 116 A Y E -cd 136 175B 50 58,-3.1 60,-2.3 19,-0.2 61,-0.7 -0.839 16.8-163.7-104.9 140.5 20.7 80.4 32.2 117 117 A V E -cd 137 177B 0 19,-2.4 21,-2.4 -2,-0.4 2,-0.4 -0.996 14.0-160.6-116.3 124.4 24.4 81.1 32.2 118 118 A A E +cd 138 178B 0 59,-1.4 61,-2.8 -2,-0.5 2,-0.3 -0.891 16.2 169.4-111.6 137.3 25.2 84.7 33.1 119 119 A G E -cd 139 179B 1 19,-2.3 21,-3.1 -2,-0.4 2,-1.9 -0.928 47.7-101.2-144.8 157.0 28.6 86.3 32.3 120 120 A N S S- 0 0 1 59,-1.2 61,-0.1 -2,-0.3 19,-0.1 -0.599 101.4 -33.7 -81.0 78.1 30.5 89.6 32.2 121 121 A M S S- 0 0 15 -2,-1.9 -1,-0.2 17,-0.1 60,-0.1 0.336 86.0 -84.5 80.3 146.9 30.1 89.9 28.4 122 122 A Y - 0 0 33 -3,-0.1 64,-0.3 15,-0.1 2,-0.3 -0.310 32.8-153.2 -72.4 160.1 30.0 87.0 26.0 123 123 A F > - 0 0 17 1,-0.1 4,-3.0 62,-0.1 5,-0.3 -0.956 22.9-119.0-126.1 159.4 33.0 85.2 24.5 124 124 A T H > S+ 0 0 8 -2,-0.3 4,-1.7 2,-0.2 322,-0.1 0.955 106.5 26.0 -64.7 -65.2 32.9 83.4 21.2 125 125 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 122.5 56.6 -66.7 -38.0 33.8 79.7 21.9 126 126 A T H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 108.7 44.8 -58.0 -49.1 32.5 80.1 25.5 127 127 A R H X S+ 0 0 45 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.883 111.8 53.8 -66.9 -37.0 29.0 81.2 24.4 128 128 A Y H X S+ 0 0 59 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.912 108.1 48.0 -64.9 -43.5 28.9 78.5 21.7 129 129 A H H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.880 114.4 47.9 -64.6 -35.1 29.6 75.7 24.2 130 130 A Q H <>S+ 0 0 2 -4,-1.9 5,-2.3 -5,-0.2 3,-0.4 0.961 115.6 43.7 -63.8 -51.3 26.9 77.1 26.6 131 131 A E H ><5S+ 0 0 32 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.895 109.9 54.5 -68.2 -40.6 24.4 77.5 23.9 132 132 A K H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 106.6 53.6 -68.0 -22.4 25.0 74.0 22.3 133 133 A N T 3<5S- 0 0 36 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.314 129.3 -95.7 -93.8 12.4 24.5 72.4 25.7 134 134 A G T < 5S+ 0 0 30 -3,-1.9 -20,-3.2 1,-0.3 2,-0.2 0.555 77.7 136.7 96.2 9.1 21.0 74.1 26.0 135 135 A A < - 0 0 5 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.3 -0.600 49.0-135.6 -85.8 148.9 21.8 77.3 28.0 136 136 A V E -c 116 0B 72 -21,-2.6 -19,-2.4 -2,-0.2 2,-0.3 -0.910 25.0-133.7 -95.5 126.0 20.6 80.8 27.4 137 137 A F E -c 117 0B 20 -2,-0.5 2,-0.4 -21,-0.2 -19,-0.2 -0.671 20.5-169.5 -82.6 135.0 23.4 83.3 27.8 138 138 A V E -c 118 0B 36 -21,-2.4 -19,-2.3 -2,-0.3 2,-0.6 -0.989 15.8-140.1-126.7 120.2 22.7 86.5 29.9 139 139 A D E +c 119 0B 50 -2,-0.4 -19,-0.2 -21,-0.2 -21,-0.1 -0.711 26.6 168.6 -84.2 119.8 25.1 89.4 29.8 140 140 A I + 0 0 2 -21,-3.1 19,-3.2 -2,-0.6 23,-0.2 0.183 32.0 124.5-119.3 16.1 25.5 90.9 33.3 141 141 A V B S-H 158 0C 0 -22,-0.6 17,-0.2 17,-0.3 16,-0.1 -0.351 75.8 -87.9 -64.8 153.3 28.5 93.2 32.7 142 142 A R > - 0 0 64 15,-1.7 3,-1.8 13,-0.3 4,-0.3 -0.392 36.9-116.0 -62.2 145.0 28.0 96.9 33.6 143 143 A D G > S+ 0 0 101 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.834 111.0 68.4 -48.8 -39.8 26.5 98.9 30.7 144 144 A E G > S+ 0 0 77 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.697 83.1 72.1 -58.5 -24.9 29.7 101.0 30.5 145 145 A A G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.733 93.4 56.4 -60.6 -26.1 31.8 98.0 29.3 146 146 A H G < S+ 0 0 40 -3,-1.9 2,-0.7 -4,-0.3 -1,-0.2 0.392 87.2 86.4 -86.6 -3.1 30.0 98.4 25.9 147 147 A D X - 0 0 81 -3,-1.5 3,-0.9 -4,-0.2 191,-0.2 -0.898 64.1-162.2-105.6 108.7 31.0 102.0 25.4 148 148 A A T 3 S+ 0 0 7 -2,-0.7 190,-3.2 1,-0.3 -1,-0.2 0.830 83.6 45.0 -59.6 -41.6 34.4 101.9 23.7 149 149 A G T 3 S+ 0 0 36 188,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.620 82.3 109.1 -85.1 -13.4 35.5 105.5 24.5 150 150 A L < - 0 0 73 -3,-0.9 2,-1.4 -6,-0.2 188,-0.1 -0.503 59.3-151.4 -72.7 111.6 34.5 105.6 28.1 151 151 A N + 0 0 96 -2,-0.6 2,-0.3 186,-0.0 -1,-0.1 -0.653 38.7 140.6 -88.7 87.0 37.6 105.6 30.2 152 152 A I > - 0 0 46 -2,-1.4 3,-0.5 186,-0.3 2,-0.1 -0.962 50.5-110.9-124.8 151.9 36.7 104.0 33.5 153 153 A A T 3 S+ 0 0 46 -2,-0.3 40,-0.1 1,-0.2 37,-0.0 -0.372 93.4 15.2 -76.9 152.6 38.6 101.6 35.7 154 154 A F T > + 0 0 21 1,-0.1 3,-1.8 38,-0.1 39,-0.3 0.863 66.6 167.8 52.4 47.7 37.5 97.9 36.1 155 155 A K T < + 0 0 0 -3,-0.5 -13,-0.3 1,-0.3 -10,-0.2 0.619 67.3 70.4 -61.8 -16.7 35.2 97.9 33.1 156 156 A G T 3 S+ 0 0 0 35,-2.4 -1,-0.3 -15,-0.1 36,-0.2 0.586 72.7 123.9 -80.2 -10.8 35.0 94.1 33.4 157 157 A D < - 0 0 20 -3,-1.8 -15,-1.7 34,-0.5 2,-0.2 -0.175 64.9-117.6 -59.1 142.1 33.0 94.2 36.6 158 158 A I B -H 141 0C 4 -17,-0.2 2,-0.8 1,-0.1 -17,-0.3 -0.557 24.3-121.2 -73.7 137.2 29.7 92.4 36.9 159 159 A D > - 0 0 47 -19,-3.2 4,-2.0 -2,-0.2 3,-0.3 -0.762 20.9-159.9 -79.7 111.4 26.7 94.7 37.5 160 160 A L H > S+ 0 0 52 -2,-0.8 4,-3.0 1,-0.2 -1,-0.2 0.778 89.0 59.4 -67.6 -27.4 25.3 93.3 40.8 161 161 A K H > S+ 0 0 179 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 107.3 46.6 -66.9 -41.5 21.9 94.8 40.1 162 162 A K H > S+ 0 0 56 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.901 113.0 49.0 -65.4 -42.7 21.6 92.8 36.9 163 163 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -23,-0.2 -2,-0.2 0.961 111.5 49.5 -59.2 -50.7 22.7 89.7 38.6 164 164 A Q H X S+ 0 0 63 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.905 110.2 51.3 -55.2 -45.5 20.2 90.3 41.4 165 165 A K H X S+ 0 0 113 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.856 106.2 54.4 -59.6 -40.5 17.5 90.9 38.8 166 166 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 -3,-0.2 5,-0.5 0.920 109.3 47.7 -61.1 -44.5 18.3 87.6 37.0 167 167 A I H X S+ 0 0 9 -4,-2.0 4,-1.9 3,-0.2 -2,-0.2 0.910 114.6 47.6 -62.7 -41.8 17.9 85.6 40.2 168 168 A D H < S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 118.5 37.6 -65.8 -47.3 14.6 87.4 40.9 169 169 A E H < S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.834 131.9 24.9 -78.3 -34.1 13.0 87.0 37.5 170 170 A K H < S- 0 0 80 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.677 102.9-117.4-106.6 -22.2 14.3 83.4 36.7 171 171 A G >< - 0 0 21 -4,-1.9 3,-1.6 -5,-0.5 4,-0.2 0.367 24.3-100.1 86.5 134.7 15.0 81.8 40.1 172 172 A A G > S+ 0 0 19 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.817 118.4 63.1 -55.4 -36.8 18.4 80.6 41.3 173 173 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.668 99.4 55.5 -67.9 -15.0 17.7 76.9 40.4 174 174 A N G < S+ 0 0 71 -3,-1.6 -58,-3.1 -4,-0.1 2,-0.6 0.399 88.6 86.7 -98.6 0.8 17.4 77.9 36.8 175 175 A I E < -d 116 0B 8 -3,-1.7 35,-0.2 -60,-0.2 -58,-0.2 -0.913 60.3-165.5-100.8 117.0 20.8 79.5 36.7 176 176 A A E - 0 0 13 -60,-2.3 34,-0.5 -2,-0.6 2,-0.3 0.942 62.8 -47.5 -65.9 -49.9 23.5 76.9 35.9 177 177 A Y E -d 117 0B 3 -61,-0.7 -59,-1.4 32,-0.1 2,-0.5 -0.963 51.1 -99.3-170.9 166.1 26.4 79.1 37.0 178 178 A I E -de 118 211B 0 32,-2.3 34,-2.6 -2,-0.3 2,-0.8 -0.881 29.1-149.2 -93.8 128.2 27.9 82.5 36.7 179 179 A C E -de 119 212B 11 -61,-2.8 -59,-1.2 -2,-0.5 2,-0.7 -0.866 16.6-174.8 -98.1 101.5 30.8 82.7 34.2 180 180 A L E - e 0 213B 0 32,-1.6 34,-2.0 -2,-0.8 2,-0.4 -0.870 7.5-160.8-104.5 110.3 33.2 85.4 35.4 181 181 A A E - e 0 214B 13 -2,-0.7 2,-0.4 32,-0.2 34,-0.2 -0.751 11.3-132.1 -94.3 136.5 36.0 86.1 32.9 182 182 A V S S+ 0 0 0 32,-2.5 35,-1.7 -2,-0.4 2,-0.1 -0.997 90.3 8.8-128.8 126.0 39.3 87.8 34.0 183 183 A T S S- 0 0 1 -2,-0.4 2,-0.8 7,-0.4 34,-0.3 0.833 93.7-120.8 -64.1-178.7 40.2 90.0 32.1 184 184 A V B > > -I 190 0D 3 6,-2.8 5,-2.2 1,-0.2 6,-1.8 -0.824 24.3-163.6 -93.3 106.4 37.2 90.5 29.8 185 185 A N G >>5S+ 0 0 4 -2,-0.8 3,-2.0 1,-0.2 4,-0.7 0.945 82.9 43.3 -57.8 -60.5 38.6 89.9 26.2 186 186 A L G 345S+ 0 0 13 -64,-0.3 -1,-0.2 1,-0.3 -65,-0.1 0.636 104.3 63.3 -70.7 -12.2 35.8 91.5 24.1 187 187 A A G <45S- 0 0 0 -3,-0.6 -1,-0.3 3,-0.1 -2,-0.2 0.463 135.6 -83.4 -81.0 -4.5 35.4 94.6 26.3 188 188 A G T <45S- 0 0 1 -3,-2.0 153,-0.7 -4,-0.3 156,-0.3 0.583 77.9 -57.4 111.5 17.1 39.1 95.3 25.3 189 189 A G S < - 0 0 10 -2,-0.4 4,-2.1 -39,-0.3 5,-0.2 -0.485 12.1-125.1 -77.7 152.3 38.2 94.3 40.6 194 194 A M H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 113.4 58.5 -57.5 -42.0 38.7 92.1 43.7 195 195 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 107.6 46.5 -55.2 -43.7 35.8 93.9 45.4 196 196 A N H > S+ 0 0 11 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.900 110.9 50.9 -67.6 -43.6 33.5 92.8 42.5 197 197 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.877 113.5 46.7 -57.9 -37.8 34.8 89.2 42.7 198 198 A R H X S+ 0 0 132 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 113.2 47.9 -73.7 -41.9 34.1 89.2 46.4 199 199 A A H X S+ 0 0 34 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.910 111.4 50.3 -65.2 -46.1 30.6 90.7 46.0 200 200 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.939 110.5 49.9 -56.1 -48.4 29.6 88.3 43.3 201 201 A R H X S+ 0 0 50 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.905 110.6 50.9 -57.9 -41.9 30.7 85.3 45.4 202 202 A E H X S+ 0 0 128 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.912 113.3 43.2 -64.9 -44.8 28.7 86.6 48.3 203 203 A L H X S+ 0 0 33 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.919 118.1 43.8 -66.4 -46.3 25.5 87.1 46.4 204 204 A T H ><>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.8 0.897 110.2 55.9 -69.4 -42.1 25.7 83.8 44.5 205 205 A E H ><5S+ 0 0 57 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.881 102.5 55.9 -55.1 -43.3 26.8 81.8 47.6 206 206 A A H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.770 114.3 41.0 -61.3 -25.2 23.6 83.0 49.5 207 207 A H T <<5S- 0 0 77 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.360 115.0-113.0-105.4 1.8 21.5 81.6 46.6 208 208 A G T < 5 + 0 0 67 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.654 64.8 149.7 74.4 19.6 23.5 78.4 46.1 209 209 A I < - 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0 0 0 -5,-2.1 -1,-0.3 5,-0.2 -2,-0.2 -0.918 65.9 -26.3 150.0-177.4 42.9 62.0 26.5 288 288 A M >> - 0 0 9 -2,-0.3 4,-3.0 1,-0.1 3,-2.3 -0.277 64.6-109.6 -64.6 149.8 43.5 60.3 29.9 289 289 A P T 34 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -217,-0.1 0.689 116.8 67.4 -54.0 -16.8 43.1 62.6 33.0 290 290 A S T 34 S+ 0 0 5 -219,-0.3 -216,-0.3 -196,-0.1 -213,-0.2 0.298 122.4 6.0 -91.0 3.3 46.9 62.2 33.3 291 291 A Y T X4 S- 0 0 7 -3,-2.3 3,-1.2 -196,-0.2 -1,-0.1 0.319 77.3-153.2-152.7 -28.6 47.8 64.2 30.1 292 292 A G T 3< S- 0 0 0 -4,-3.0 -5,-0.2 1,-0.3 -27,-0.1 0.808 76.5 -45.7 60.1 35.1 44.5 65.6 28.8 293 293 A G T 3 S+ 0 0 2 1,-0.3 2,-0.4 -5,-0.2 -1,-0.3 0.687 114.4 115.0 77.8 20.8 45.6 65.8 25.1 294 294 A L < - 0 0 4 -3,-1.2 -1,-0.3 425,-0.1 -197,-0.1 -0.959 69.4-116.6-120.6 139.5 49.0 67.3 25.8 295 295 A A > - 0 0 0 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.359 34.6-114.6 -58.7 150.1 52.5 66.0 25.4 296 296 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 118.2 59.1 -54.9 -44.6 54.3 65.6 28.8 297 297 A R H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 103.7 51.5 -58.0 -33.3 56.8 68.4 27.7 298 298 A D H > S+ 0 0 2 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.880 106.4 52.3 -72.7 -40.2 53.8 70.8 27.2 299 299 A M H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.901 112.7 48.0 -51.4 -45.3 52.4 70.1 30.8 300 300 A E H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 111.6 47.4 -63.9 -48.8 55.9 70.9 31.9 301 301 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.875 113.1 49.7 -57.9 -41.6 56.2 74.1 29.9 302 302 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.913 110.1 50.3 -67.6 -40.8 52.7 75.3 31.1 303 303 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.907 116.1 42.3 -60.9 -44.1 53.7 74.6 34.8 304 304 A I H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 114.3 50.8 -69.5 -44.1 56.9 76.6 34.4 305 305 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.880 105.0 55.5 -64.8 -41.2 55.3 79.4 32.4 306 306 A L H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.911 110.9 45.6 -61.9 -36.4 52.4 79.9 34.9 307 307 A R H >< S+ 0 0 98 -4,-1.2 3,-1.2 -5,-0.2 -1,-0.2 0.897 109.8 54.8 -75.0 -33.8 55.0 80.5 37.7 308 308 A E H >< S+ 0 0 38 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.885 99.5 62.9 -62.2 -36.6 57.0 82.8 35.4 309 309 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.709 89.6 68.7 -63.2 -19.4 53.9 84.9 34.8 310 310 A M T < S+ 0 0 25 -3,-1.2 2,-0.5 -4,-0.5 -72,-0.4 0.573 70.5 110.6 -79.0 -8.1 53.8 85.7 38.6 311 311 A Q <> - 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