==== 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 2EZ1 . COMPND 2 MOLECULE: TYROSINE PHENOL-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR D.MILIC,D.MATKOVIC-CALOGOVIC,T.V.DEMIDKINA,A.A.ANTSON . 910 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 71.8 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 . 60 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 6 0 0 2 0 4 2 4 2 2 8 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 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 2 A N 0 0 172 0, 0.0 322,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.9 57.2 38.0 -2.3 2 3 A Y - 0 0 83 320,-0.0 314,-0.1 321,-0.0 318,-0.0 -0.908 360.0-148.0-133.7 106.2 58.5 41.0 -0.4 3 4 A P - 0 0 36 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.303 24.0-109.5 -72.6 152.2 60.8 43.6 -1.9 4 5 A A - 0 0 74 1,-0.2 312,-0.1 409,-0.0 0, 0.0 -0.332 54.8 -72.9 -70.7 163.8 63.5 45.4 0.2 5 6 A E - 0 0 61 1,-0.1 2,-1.3 311,-0.1 -1,-0.2 -0.376 40.6-139.0 -59.2 124.7 62.9 49.2 0.9 6 7 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.206 80.8 42.4 -84.1 51.0 63.5 51.0 -2.4 7 8 A F S S- 0 0 75 -2,-1.3 2,-0.3 306,-0.0 -2,-0.1 -0.947 81.1-111.8-171.7 168.7 65.4 53.8 -0.5 8 9 A R - 0 0 232 -2,-0.3 2,-0.6 0, 0.0 0, 0.0 -0.777 36.8 -97.4-108.3 166.1 67.9 54.3 2.2 9 10 A I + 0 0 129 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.726 37.7 175.9 -79.5 119.8 67.5 55.8 5.7 10 11 A K - 0 0 164 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.839 68.9 -1.8 -87.5 -45.6 68.7 59.5 5.6 11 12 A S - 0 0 102 2,-0.0 -1,-0.4 0, 0.0 2,-0.3 -0.976 69.3-139.2-143.5 158.8 67.8 60.5 9.2 12 13 A V - 0 0 122 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.0 -0.800 11.4-129.8-119.0 159.4 66.2 58.7 12.1 13 14 A E - 0 0 134 -2,-0.3 508,-0.0 508,-0.0 2,-0.0 -0.955 33.7-126.6-107.9 118.3 63.7 59.5 14.9 14 15 A T - 0 0 129 -2,-0.6 2,-0.3 2,-0.0 0, 0.0 -0.346 25.3-163.8 -64.6 142.0 65.0 58.5 18.3 15 16 A V - 0 0 60 1,-0.1 28,-0.1 26,-0.0 26,-0.1 -0.955 22.1-133.8-129.6 152.8 62.8 56.3 20.5 16 17 A S - 0 0 66 24,-0.4 25,-0.1 -2,-0.3 -1,-0.1 0.780 22.7-149.7 -76.1 -32.3 63.0 55.5 24.3 17 18 A M - 0 0 112 1,-0.2 24,-0.1 357,-0.1 25,-0.0 0.819 22.7-174.1 63.5 34.6 62.7 51.7 24.2 18 19 A I - 0 0 28 1,-0.1 -1,-0.2 4,-0.1 25,-0.1 -0.352 21.6-117.1 -61.7 139.3 60.9 51.6 27.6 19 20 A P >> - 0 0 63 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.183 29.6 -89.9 -77.1 171.7 60.4 47.9 28.8 20 21 A R H 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 121.6 52.2 -50.3 -51.3 57.1 46.1 29.5 21 22 A D H 3> S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 113.3 46.4 -61.2 -33.9 56.7 47.0 33.2 22 23 A E H <> S+ 0 0 93 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.910 110.1 53.0 -72.6 -43.3 57.1 50.7 32.3 23 24 A R H X S+ 0 0 37 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.883 104.3 57.0 -55.6 -38.9 54.7 50.4 29.4 24 25 A L H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.924 107.4 48.3 -62.3 -41.8 52.1 48.9 31.7 25 26 A K H X S+ 0 0 122 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.893 111.1 49.4 -60.9 -41.9 52.3 52.0 33.9 26 27 A K H X S+ 0 0 53 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.914 110.7 50.9 -64.4 -42.2 52.0 54.3 30.9 27 28 A M H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 6,-0.4 0.910 112.3 46.6 -63.4 -41.8 48.9 52.3 29.7 28 29 A Q H ><5S+ 0 0 80 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.925 108.7 53.5 -65.2 -45.0 47.3 52.6 33.2 29 30 A E H 3<5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.0 53.8 -58.4 -28.4 48.1 56.3 33.4 30 31 A A T ><5S- 0 0 5 -4,-1.6 3,-1.9 -5,-0.2 6,-0.3 0.205 117.3-117.1 -88.6 13.0 46.3 56.5 30.0 31 32 A G T < 5 - 0 0 4 -3,-2.3 421,-2.5 1,-0.3 -3,-0.2 0.820 64.4 -67.1 49.8 37.1 43.2 54.8 31.5 32 33 A Y T 3 S+ 0 0 1 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.812 91.8 67.9 -62.3 -25.1 45.6 54.2 23.4 35 36 A F G 3 S+ 0 0 13 412,-0.3 -1,-0.3 1,-0.3 413,-0.1 0.742 98.2 53.2 -63.7 -21.1 44.3 57.6 22.3 36 37 A L G < S+ 0 0 42 -3,-2.1 -1,-0.3 -6,-0.3 -2,-0.2 0.452 84.1 112.2 -94.6 -1.2 45.5 59.0 25.6 37 38 A L S < S- 0 0 3 -3,-1.5 2,-0.3 -4,-0.3 490,-0.1 -0.439 71.2-116.2 -70.7 147.3 49.1 57.7 25.3 38 39 A N > - 0 0 48 1,-0.1 3,-1.9 -2,-0.1 491,-0.2 -0.664 14.3-131.9 -80.8 136.3 52.0 60.2 24.8 39 40 A S G > S+ 0 0 15 489,-2.1 3,-1.7 -2,-0.3 490,-0.1 0.843 105.5 63.0 -53.4 -36.9 53.9 59.9 21.6 40 41 A K G 3 S+ 0 0 96 488,-0.5 -24,-0.4 1,-0.3 -1,-0.3 0.667 100.8 54.1 -67.4 -15.0 57.3 60.0 23.5 41 42 A D G < S+ 0 0 9 -3,-1.9 2,-0.4 -26,-0.1 -1,-0.3 0.299 92.8 90.7 -98.4 7.3 56.3 56.7 25.2 42 43 A I < - 0 0 12 -3,-1.7 3,-0.2 1,-0.2 -26,-0.2 -0.904 48.8-171.2-117.6 133.2 55.6 54.8 22.0 43 44 A Y S S+ 0 0 62 331,-1.6 2,-0.5 -2,-0.4 332,-0.2 0.947 85.4 17.9 -83.5 -54.8 58.0 52.7 20.0 44 45 A I E S-a 375 0A 0 330,-1.9 332,-2.3 371,-0.0 2,-0.9 -0.970 74.0-158.4-125.0 114.4 55.9 52.0 16.9 45 46 A D E +a 376 0A 22 -2,-0.5 3,-0.3 330,-0.2 332,-0.1 -0.810 25.1 159.6-104.1 99.8 52.9 54.3 16.4 46 47 A L + 0 0 0 330,-2.2 359,-2.3 -2,-0.9 332,-0.5 -0.014 37.9 115.7-105.4 27.7 50.2 52.7 14.1 47 48 A L S S- 0 0 0 330,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.869 87.5 -4.6 -59.0 -37.8 47.3 54.9 15.3 48 49 A T - 0 0 11 -3,-0.3 -1,-0.2 357,-0.3 478,-0.1 -0.989 43.2-145.5-153.1 154.3 47.0 56.4 11.8 49 50 A D S S+ 0 0 0 -2,-0.3 2,-0.7 357,-0.1 359,-0.3 0.146 74.4 109.6 -97.9 11.7 48.5 56.5 8.3 50 51 A S S S- 0 0 4 1,-0.2 206,-0.2 2,-0.1 205,-0.1 -0.812 92.4 -21.3 -95.5 116.4 47.6 60.2 8.1 51 52 A G S S+ 0 0 3 204,-2.6 -1,-0.2 -2,-0.7 205,-0.1 0.537 106.0 99.1 80.3 7.7 50.3 62.8 8.2 52 53 A T + 0 0 25 203,-0.3 209,-0.1 -3,-0.1 -1,-0.1 0.171 49.9 135.5-112.0 16.0 53.1 60.8 9.8 53 54 A N - 0 0 5 207,-0.6 2,-0.6 202,-0.3 356,-0.2 -0.249 59.2-116.8 -65.1 147.6 54.9 59.9 6.5 54 55 A A - 0 0 35 354,-2.5 -1,-0.1 206,-0.0 2,-0.1 -0.795 32.0-145.0 -84.7 122.8 58.7 60.1 6.3 55 56 A M - 0 0 22 -2,-0.6 2,-0.1 1,-0.1 205,-0.1 -0.381 15.9-112.9 -82.9 165.9 59.7 62.7 3.7 56 57 A S > - 0 0 20 203,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.438 26.4-103.6 -92.5 174.2 62.7 62.4 1.4 57 58 A D H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 123.3 54.5 -60.5 -38.1 65.9 64.4 1.2 58 59 A K H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 107.9 48.5 -67.2 -38.6 64.5 66.1 -1.9 59 60 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 110.5 51.2 -64.3 -43.9 61.3 67.2 -0.0 60 61 A W H X S+ 0 0 71 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.863 107.3 53.0 -61.8 -35.0 63.4 68.5 2.8 61 62 A A H >< S+ 0 0 57 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.945 109.2 50.1 -63.3 -43.7 65.5 70.5 0.3 62 63 A G H >< S+ 0 0 4 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.867 101.9 62.1 -56.2 -40.0 62.1 71.9 -0.9 63 64 A M H >< S+ 0 0 2 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.734 101.2 52.7 -58.5 -26.9 61.3 72.7 2.7 64 65 A M T << S+ 0 0 100 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.570 102.8 60.4 -85.3 -10.9 64.3 75.1 2.8 65 66 A M T < S+ 0 0 143 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.101 70.3 153.9-108.0 30.7 63.0 76.9 -0.3 66 67 A G < - 0 0 21 -3,-0.6 2,-0.8 1,-0.1 -3,-0.1 -0.464 30.5-159.8 -63.7 126.4 59.7 78.1 1.1 67 68 A D - 0 0 16 -2,-0.3 8,-0.3 1,-0.1 9,-0.2 -0.922 7.6-170.1-111.1 103.9 58.5 81.2 -0.8 68 69 A E + 0 0 29 -2,-0.8 -1,-0.1 440,-0.1 441,-0.1 0.146 30.0 141.9 -95.2 19.6 56.1 82.5 1.8 69 70 A A - 0 0 10 1,-0.1 4,-0.3 439,-0.1 -2,-0.1 -0.333 57.0-129.1 -59.7 141.6 54.5 85.3 -0.4 70 71 A Y S S+ 0 0 22 1,-0.1 2,-0.3 2,-0.1 219,-0.3 0.786 92.5 13.9 -63.8 -32.4 50.7 85.8 0.0 71 72 A A S S+ 0 0 2 1,-0.1 -1,-0.1 217,-0.1 432,-0.1 -0.987 122.0 27.0-142.7 150.5 50.3 85.5 -3.8 72 73 A G S S+ 0 0 6 -2,-0.3 423,-1.9 1,-0.2 424,-0.5 0.668 72.0 171.7 76.1 16.6 52.4 84.4 -6.7 73 74 A S > - 0 0 0 -4,-0.3 4,-2.1 216,-0.3 3,-0.5 -0.362 39.1-134.9 -57.3 134.3 54.6 81.9 -4.6 74 75 A E H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.824 107.9 58.1 -55.2 -31.9 56.9 79.7 -6.7 75 76 A N H > S+ 0 0 4 -8,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.866 103.6 49.6 -70.4 -36.6 55.7 76.8 -4.5 76 77 A F H > S+ 0 0 21 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.944 110.5 51.1 -64.7 -47.1 52.0 77.4 -5.5 77 78 A Y H X S+ 0 0 56 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.898 110.5 48.9 -54.9 -43.6 53.0 77.4 -9.1 78 79 A H H X S+ 0 0 34 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.942 113.0 46.7 -63.3 -47.9 54.9 74.1 -8.7 79 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.920 112.8 50.8 -57.9 -47.2 52.0 72.4 -6.9 80 81 A E H X S+ 0 0 51 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.946 113.6 42.0 -59.5 -51.0 49.5 73.6 -9.5 81 82 A R H X S+ 0 0 128 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.865 113.8 53.5 -69.7 -29.5 51.4 72.5 -12.5 82 83 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.961 112.3 43.6 -65.7 -49.6 52.3 69.1 -10.8 83 84 A V H X>S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.9 0.903 112.6 53.1 -63.0 -40.5 48.6 68.4 -10.0 84 85 A Q H X5S+ 0 0 71 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.915 114.3 43.4 -58.6 -42.3 47.5 69.5 -13.5 85 86 A E H <5S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.933 122.8 33.8 -68.1 -48.3 50.1 67.1 -15.0 86 87 A L H <5S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.826 130.4 28.7 -85.2 -34.2 49.5 64.1 -12.9 87 88 A F H <5S- 0 0 2 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.671 93.9-137.3 -99.5 -23.4 45.7 64.2 -12.1 88 89 A G << + 0 0 37 -5,-0.9 2,-0.2 -4,-0.7 -4,-0.2 0.607 50.6 139.2 81.0 13.1 44.7 66.0 -15.3 89 90 A F - 0 0 7 -6,-0.5 -1,-0.2 1,-0.1 180,-0.2 -0.630 53.4-132.1 -90.6 153.8 42.2 68.6 -13.9 90 91 A K S S+ 0 0 98 -2,-0.2 2,-0.4 1,-0.1 179,-0.2 0.855 83.3 34.2 -67.3 -40.9 42.0 72.2 -15.1 91 92 A H E -B 268 0B 31 177,-2.2 177,-1.8 -8,-0.1 2,-0.4 -0.930 58.6-168.4-130.9 143.7 41.9 74.0 -11.8 92 93 A I E -B 267 0B 3 -2,-0.4 175,-0.2 175,-0.2 -12,-0.1 -0.995 4.6-172.9-131.6 135.3 43.4 73.5 -8.3 93 94 A V E -B 266 0B 0 173,-2.8 173,-3.0 -2,-0.4 196,-0.1 -0.987 24.8-136.1-121.8 117.8 42.6 75.2 -5.0 94 95 A P E -B 265 0B 0 0, 0.0 2,-0.3 0, 0.0 171,-0.3 -0.399 23.2-175.5 -69.8 151.6 45.0 74.2 -2.1 95 96 A T E -B 264 0B 0 169,-2.2 169,-1.6 197,-0.1 197,-0.2 -0.938 40.2-107.6-140.4 164.8 43.5 73.5 1.3 96 97 A H S S- 0 0 0 -2,-0.3 167,-1.8 167,-0.2 2,-0.3 0.841 94.4 -28.4 -70.0 -28.0 45.2 72.7 4.6 97 98 A Q S >> S- 0 0 0 165,-0.2 4,-1.1 166,-0.1 3,-1.0 -0.924 83.5 -69.0-166.2-170.3 44.2 69.0 4.4 98 99 A G H 3> S+ 0 0 0 165,-0.3 4,-2.0 1,-0.3 3,-0.5 0.869 122.2 55.4 -64.9 -39.9 41.4 66.8 2.9 99 100 A R H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.744 101.6 59.9 -72.0 -17.0 38.5 67.9 5.0 100 101 A G H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.895 106.9 46.5 -70.1 -38.2 39.1 71.5 4.0 101 102 A A H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.5 -2,-0.2 0.856 110.1 54.2 -68.4 -37.9 38.5 70.6 0.4 102 103 A E H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.912 104.3 54.5 -61.5 -42.6 35.4 68.6 1.4 103 104 A N H X S+ 0 0 3 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.953 112.9 43.0 -56.1 -49.8 34.0 71.6 3.2 104 105 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-0.2 0.948 114.0 49.5 -62.9 -50.9 34.3 73.7 -0.1 105 106 A L H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.926 110.7 49.0 -57.7 -46.4 33.0 71.0 -2.4 106 107 A S H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.850 111.5 49.2 -66.6 -32.3 29.9 70.2 -0.4 107 108 A Q H < S+ 0 0 48 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.803 118.3 41.0 -72.3 -29.4 29.0 73.9 -0.1 108 109 A L H < S+ 0 0 47 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.763 120.4 38.6 -87.2 -29.3 29.5 74.3 -3.9 109 110 A A H < S+ 0 0 10 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.1 0.419 98.0 76.4-111.5 1.4 27.9 71.1 -5.3 110 111 A I < - 0 0 18 -4,-0.8 24,-0.1 -5,-0.2 6,-0.0 -0.954 50.4-161.2-123.5 130.3 24.8 70.3 -3.2 111 112 A K > - 0 0 146 -2,-0.4 3,-2.3 4,-0.1 64,-0.1 -0.892 47.8 -91.5 -96.8 136.7 21.2 71.7 -3.1 112 113 A P T 3 S+ 0 0 112 0, 0.0 22,-0.2 0, 0.0 21,-0.2 -0.201 113.5 24.5 -47.7 128.8 19.3 70.9 0.1 113 114 A G T 3 S+ 0 0 51 20,-2.6 21,-0.1 1,-0.3 20,-0.1 0.244 93.3 123.2 98.1 -13.6 17.3 67.7 -0.3 114 115 A Q < - 0 0 23 -3,-2.3 21,-2.2 1,-0.1 -1,-0.3 -0.361 59.9-116.6 -75.3 161.6 19.5 66.2 -3.0 115 116 A Y E -cd 135 174B 51 58,-2.7 60,-2.4 19,-0.2 61,-0.9 -0.775 16.3-162.6 -97.6 143.9 21.2 62.8 -2.8 116 117 A V E -cd 136 176B 0 19,-1.8 21,-1.9 -2,-0.3 2,-0.4 -0.997 16.1-165.2-116.2 121.9 25.0 62.1 -2.7 117 118 A A E +cd 137 177B 0 59,-1.4 61,-2.6 -2,-0.4 2,-0.3 -0.896 16.6 157.5-110.1 137.8 25.6 58.4 -3.5 118 119 A G E -cd 138 178B 1 19,-2.1 21,-2.9 -2,-0.4 2,-1.4 -0.938 52.8 -88.4-150.2 171.4 29.0 56.7 -2.8 119 120 A N S S- 0 0 2 59,-0.9 61,-0.2 -2,-0.3 19,-0.1 -0.707 95.7 -53.7 -85.0 91.2 30.9 53.6 -2.2 120 121 A M S S- 0 0 17 -2,-1.4 2,-0.3 65,-0.1 19,-0.1 -0.182 79.9-102.5 59.6-162.2 30.5 53.5 1.6 121 122 A Y - 0 0 100 -3,-0.1 2,-0.3 17,-0.1 64,-0.3 -0.948 10.2-133.3-149.6 163.2 31.6 56.7 3.4 122 123 A F > - 0 0 34 -2,-0.3 4,-3.1 1,-0.1 5,-0.4 -0.955 34.2-116.2-118.5 146.5 34.2 58.5 5.5 123 124 A T H > S+ 0 0 91 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.865 110.9 36.0 -49.0 -55.0 33.2 60.5 8.7 124 125 A T H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 117.0 53.7 -69.9 -41.9 34.3 64.0 7.6 125 126 A T H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.938 114.2 40.7 -57.9 -51.2 33.3 63.5 3.9 126 127 A R H X S+ 0 0 73 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.862 110.1 58.8 -67.2 -37.7 29.8 62.4 4.8 127 128 A Y H X S+ 0 0 76 -4,-2.0 4,-3.0 -5,-0.4 5,-0.2 0.943 107.1 47.3 -55.4 -48.2 29.4 65.1 7.6 128 129 A H H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.882 111.2 52.0 -64.9 -36.8 30.1 67.9 5.1 129 130 A Q H <>S+ 0 0 5 -4,-1.6 5,-2.3 -5,-0.2 3,-0.2 0.957 116.1 39.1 -57.4 -53.8 27.6 66.3 2.6 130 131 A E H ><5S+ 0 0 85 -4,-2.6 3,-2.5 1,-0.2 -2,-0.2 0.878 108.0 61.1 -70.0 -40.3 24.8 66.1 5.2 131 132 A K H 3<5S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.5 50.5 -52.5 -34.1 25.6 69.5 6.9 132 133 A N T 3<5S- 0 0 39 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.298 130.8 -95.0 -91.5 9.1 24.8 71.0 3.5 133 134 A G T < 5S+ 0 0 29 -3,-2.5 -20,-2.6 1,-0.3 -3,-0.2 0.524 75.1 141.0 96.7 7.2 21.5 69.1 3.2 134 135 A A < - 0 0 8 -5,-2.3 2,-0.6 -22,-0.2 -1,-0.3 -0.527 45.9-136.6 -79.6 149.7 22.4 66.0 1.2 135 136 A V E -c 115 0B 70 -21,-2.2 -19,-1.8 -2,-0.2 2,-0.3 -0.934 24.8-133.2 -99.8 123.8 20.9 62.5 1.9 136 137 A F E -c 116 0B 31 -2,-0.6 2,-0.4 -21,-0.2 -19,-0.2 -0.555 21.5-171.9 -80.7 136.2 23.6 59.9 1.8 137 138 A V E -c 117 0B 36 -21,-1.9 -19,-2.1 -2,-0.3 2,-0.6 -0.994 18.0-138.3-129.1 123.9 23.0 56.7 -0.2 138 139 A D E +c 118 0B 48 -2,-0.4 -19,-0.2 -21,-0.2 -21,-0.1 -0.715 27.3 168.3 -84.0 119.8 25.4 53.7 -0.0 139 140 A I + 0 0 2 -21,-2.9 19,-3.0 -2,-0.6 -20,-0.2 0.222 29.3 128.2-117.6 16.4 25.9 52.2 -3.5 140 141 A V B S-H 157 0C 0 -22,-0.6 17,-0.2 17,-0.3 16,-0.1 -0.267 72.6 -87.8 -63.4 154.6 29.0 49.9 -2.8 141 142 A R > - 0 0 66 15,-2.1 3,-1.4 13,-0.2 4,-0.4 -0.385 38.0-115.0 -61.5 144.9 28.6 46.3 -3.9 142 143 A D G > S+ 0 0 99 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.794 110.4 65.6 -53.2 -34.2 27.1 44.0 -1.2 143 144 A E G > S+ 0 0 73 1,-0.3 3,-2.2 2,-0.2 6,-0.3 0.784 86.0 69.8 -61.3 -32.9 30.3 42.0 -0.8 144 145 A A G < S+ 0 0 5 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.751 94.4 57.5 -57.8 -26.1 32.2 45.0 0.6 145 146 A H G < S+ 0 0 81 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.3 0.438 87.8 84.5 -84.2 -4.4 30.1 44.7 3.7 146 147 A D X - 0 0 87 -3,-2.2 3,-1.2 -4,-0.1 -1,-0.1 -0.870 66.5-164.6-101.1 104.0 31.2 41.1 4.3 147 148 A A T 3 S+ 0 0 30 -2,-0.8 190,-2.5 1,-0.3 -1,-0.1 0.606 81.8 48.0 -65.6 -18.6 34.5 41.6 6.2 148 149 A G T 3 S+ 0 0 42 188,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.533 81.6 111.6-100.4 -7.0 35.8 38.0 5.7 149 150 A L < - 0 0 64 -3,-1.2 2,-1.3 -6,-0.3 -3,-0.1 -0.553 57.7-148.4 -80.5 119.2 35.1 37.7 1.9 150 151 A N + 0 0 98 -2,-0.5 2,-0.3 186,-0.0 -1,-0.1 -0.652 41.3 138.1 -90.4 85.7 38.3 37.5 -0.1 151 152 A I - 0 0 46 -2,-1.3 3,-0.5 186,-0.2 2,-0.1 -0.961 51.3-109.0-127.6 152.0 37.5 39.1 -3.5 152 153 A A S S+ 0 0 50 -2,-0.3 40,-0.1 1,-0.2 37,-0.0 -0.364 96.1 12.9 -73.9 153.5 39.4 41.5 -5.7 153 154 A F S > S+ 0 0 20 1,-0.1 3,-1.5 38,-0.1 39,-0.2 0.898 72.1 169.8 44.8 53.4 38.3 45.2 -6.2 154 155 A K T 3 + 0 0 1 -3,-0.5 -10,-0.2 1,-0.3 -13,-0.2 0.624 65.6 67.7 -70.1 -11.4 36.0 44.9 -3.2 155 156 A G T 3 S+ 0 0 0 35,-2.1 -1,-0.3 -15,-0.1 36,-0.2 0.518 72.9 128.7 -87.2 -5.1 35.5 48.7 -3.3 156 157 A D < - 0 0 22 -3,-1.5 -15,-2.1 34,-0.4 2,-0.2 -0.106 61.3-115.2 -52.7 144.0 33.6 48.8 -6.6 157 158 A I B -H 140 0C 5 -17,-0.2 2,-0.9 -38,-0.1 -17,-0.3 -0.553 25.2-118.8 -75.1 143.8 30.2 50.5 -7.0 158 159 A D >> - 0 0 37 -19,-3.0 4,-1.8 -2,-0.2 3,-0.6 -0.799 20.8-158.3 -86.3 108.2 27.2 48.4 -7.7 159 160 A L H 3> S+ 0 0 63 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.826 89.2 59.0 -58.5 -33.3 26.0 49.7 -11.0 160 161 A K H 3> S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 105.4 49.4 -63.3 -39.8 22.5 48.3 -10.5 161 162 A K H <> S+ 0 0 34 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.889 109.1 51.2 -66.9 -41.8 22.1 50.4 -7.3 162 163 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -23,-0.2 -2,-0.2 0.965 110.7 50.2 -58.3 -50.6 23.3 53.5 -9.1 163 164 A Q H X S+ 0 0 68 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.864 110.0 50.0 -52.0 -43.3 20.7 52.8 -11.8 164 165 A K H X S+ 0 0 90 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.893 108.8 51.0 -67.7 -41.4 17.9 52.3 -9.1 165 166 A L H X>S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 5,-0.7 0.949 113.0 46.8 -58.1 -48.9 18.7 55.6 -7.4 166 167 A I H X5S+ 0 0 8 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.925 115.5 47.0 -55.7 -47.3 18.5 57.3 -10.8 167 168 A D H <5S+ 0 0 113 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.9 35.2 -64.2 -39.8 15.2 55.5 -11.5 168 169 A E H <5S+ 0 0 148 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.863 129.9 27.3 -89.2 -35.9 13.6 56.2 -8.2 169 170 A K H <5S- 0 0 81 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.704 104.1-118.3 -99.7 -24.7 14.9 59.7 -7.3 170 171 A G ><< - 0 0 19 -4,-1.5 3,-1.8 -5,-0.7 4,-0.2 0.357 20.9 -99.6 88.3 136.4 15.5 61.2 -10.7 171 172 A A G > S+ 0 0 19 1,-0.3 3,-1.8 -5,-0.2 -1,-0.1 0.838 119.4 61.7 -57.5 -35.9 18.9 62.4 -12.0 172 173 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.667 100.4 56.3 -69.0 -13.4 18.1 66.1 -11.2 173 174 A N G < S+ 0 0 70 -3,-1.8 -58,-2.7 -7,-0.1 2,-0.6 0.353 87.8 87.5-100.0 5.6 17.9 65.2 -7.5 174 175 A I E < -d 115 0B 8 -3,-1.8 35,-0.3 -60,-0.2 -58,-0.2 -0.936 56.9-167.5-107.3 115.4 21.3 63.6 -7.3 175 176 A A E - 0 0 8 -60,-2.4 34,-0.5 -2,-0.6 2,-0.3 0.949 63.4 -45.5 -64.9 -52.4 24.0 66.2 -6.5 176 177 A Y E -de 116 209B 3 -61,-0.9 -59,-1.4 32,-0.1 2,-0.5 -0.977 48.0-102.4-170.2 162.9 26.9 63.9 -7.3 177 178 A I E -de 117 210B 0 32,-2.2 34,-2.6 -2,-0.3 2,-0.8 -0.889 29.5-152.9 -91.7 131.0 28.5 60.5 -7.0 178 179 A C E -de 118 211B 14 -61,-2.6 -59,-0.9 -2,-0.5 2,-0.6 -0.881 14.9-172.4-106.4 99.2 31.3 60.5 -4.4 179 180 A L E - e 0 212B 0 32,-1.4 34,-1.9 -2,-0.8 2,-0.3 -0.854 7.1-156.6 -99.6 120.1 33.6 57.7 -5.6 180 181 A A E - e 0 213B 11 -2,-0.6 2,-0.4 32,-0.2 34,-0.2 -0.785 6.9-136.0-100.1 139.7 36.4 56.9 -3.0 181 182 A V S S+ 0 0 0 32,-2.2 35,-1.9 -2,-0.3 36,-0.2 -0.995 89.3 11.4-134.5 125.0 39.7 55.3 -3.8 182 183 A T S S- 0 0 1 -2,-0.4 2,-0.8 7,-0.3 34,-0.2 0.841 92.7-123.4 -72.1-175.5 40.6 53.1 -1.9 183 184 A V B > > -I 189 0D 2 6,-2.4 5,-2.1 1,-0.2 6,-1.8 -0.849 24.0-168.0 -97.4 105.8 37.5 52.4 0.3 184 185 A N G > 5S+ 0 0 12 -2,-0.8 3,-2.0 4,-0.2 -1,-0.2 0.897 78.1 54.6 -62.6 -47.4 38.6 53.0 3.9 185 186 A L G 3 5S+ 0 0 60 -64,-0.3 -1,-0.2 1,-0.3 -65,-0.1 0.662 104.7 54.4 -66.8 -20.8 35.7 51.5 5.8 186 187 A A G < 5S- 0 0 9 -3,-0.7 -1,-0.3 3,-0.1 -2,-0.2 0.304 135.4 -86.1 -91.3 5.2 35.9 48.2 4.1 187 188 A G T < 5S- 0 0 4 -3,-2.0 153,-0.5 2,-0.1 156,-0.3 0.628 81.8 -50.6 101.0 16.3 39.6 48.0 5.1 188 189 A G S - 0 0 8 -2,-0.4 4,-2.1 -39,-0.2 5,-0.2 -0.424 12.9-126.2 -79.2 153.2 38.8 48.8 -10.7 193 194 A M H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.888 113.3 60.5 -58.9 -41.1 39.4 51.0 -13.7 194 195 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 106.6 46.2 -52.0 -42.7 36.5 49.1 -15.4 195 196 A N H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 110.3 50.5 -69.9 -46.2 34.2 50.3 -12.5 196 197 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.904 113.4 48.6 -56.3 -42.6 35.4 54.0 -12.7 197 198 A R H X S+ 0 0 117 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.914 111.6 47.4 -61.5 -46.8 34.8 53.9 -16.5 198 199 A A H X S+ 0 0 28 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.872 111.5 50.8 -67.7 -36.2 31.3 52.3 -16.2 199 200 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.909 110.8 49.5 -66.1 -42.7 30.3 54.8 -13.5 200 201 A R H X S+ 0 0 42 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.929 110.9 50.9 -59.5 -44.3 31.4 57.7 -15.7 201 202 A E H X S+ 0 0 129 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.895 113.0 42.8 -65.3 -41.3 29.5 56.4 -18.6 202 203 A L H X S+ 0 0 35 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.903 117.3 45.2 -72.6 -41.0 26.2 56.0 -16.8 203 204 A T H >X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-1.5 0.926 109.3 55.1 -68.5 -45.4 26.3 59.3 -14.9 204 205 A E H ><5S+ 0 0 57 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 0.874 102.4 58.2 -53.1 -40.7 27.4 61.3 -18.0 205 206 A A H 3<5S+ 0 0 83 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.732 113.5 38.8 -60.3 -25.4 24.3 60.0 -19.9 206 207 A H H <<5S- 0 0 80 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.362 115.5-111.0-107.9 -1.2 22.1 61.5 -17.1 207 208 A G T <<5 + 0 0 68 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.748 66.3 150.3 77.3 25.8 24.1 64.7 -16.6 208 209 A I < - 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