==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-AUG-01 1GKM . COMPND 2 MOLECULE: HISTIDINE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.BAEDEKER,G.E.SCHULZ . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 1 1 2 0 2 0 1 1 1 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 1 2 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 T 0 0 86 0, 0.0 23,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.3 29.4 -1.4 28.6 2 2 A E E -a 24 0A 181 21,-0.2 2,-0.4 2,-0.0 23,-0.2 -0.976 360.0-172.7-113.4 118.6 30.2 -4.1 31.1 3 3 A L E -a 25 0A 20 21,-2.8 23,-1.9 -2,-0.5 2,-0.8 -0.959 28.2-165.8-124.8 126.2 27.3 -6.4 31.8 4 4 A T E -a 26 0A 70 -2,-0.4 2,-0.4 21,-0.2 23,-0.2 -0.914 40.0-139.7-103.7 100.3 26.7 -9.2 34.3 5 5 A L E -a 27 0A 1 21,-2.8 23,-2.9 -2,-0.8 26,-0.2 -0.539 25.0-167.3 -79.1 120.1 23.6 -10.5 32.6 6 6 A K > - 0 0 116 -2,-0.4 3,-1.7 21,-0.2 4,-0.1 -0.920 43.3-119.3 -90.9 104.0 20.6 -11.8 34.6 7 7 A P T 3 S+ 0 0 23 0, 0.0 99,-0.1 0, 0.0 299,-0.1 -0.177 91.4 21.3 -56.4 141.2 18.8 -13.4 31.6 8 8 A G T 3 S+ 0 0 21 297,-0.2 298,-0.1 299,-0.1 98,-0.0 0.479 102.7 89.6 86.2 3.4 15.4 -12.1 30.7 9 9 A T < + 0 0 81 -3,-1.7 2,-0.1 2,-0.1 297,-0.1 0.206 46.7 137.6-117.0 12.8 16.0 -8.7 32.4 10 10 A L - 0 0 6 -4,-0.1 2,-0.2 295,-0.1 296,-0.1 -0.401 41.7-146.7 -64.3 135.9 17.5 -6.6 29.6 11 11 A T > - 0 0 72 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.554 24.4-110.5 -94.1 165.1 16.0 -3.1 29.6 12 12 A L H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 494,-0.2 0.875 120.2 55.1 -64.4 -34.5 15.5 -1.0 26.5 13 13 A A H > S+ 0 0 51 492,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.903 108.6 48.0 -62.5 -41.9 18.3 1.4 27.7 14 14 A Q H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 110.6 51.7 -63.7 -39.4 20.7 -1.6 27.9 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 108.6 51.1 -64.6 -39.8 19.6 -2.7 24.4 16 16 A R H X S+ 0 0 41 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.922 110.0 49.7 -59.7 -43.2 20.3 0.7 23.0 17 17 A A H X S+ 0 0 32 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.899 110.8 49.1 -64.9 -39.1 23.7 0.7 24.6 18 18 A I H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 112.8 48.4 -62.1 -42.1 24.4 -2.8 23.1 19 19 A H H < S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.846 115.0 46.5 -65.2 -32.6 23.2 -1.5 19.7 20 20 A A H < S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.747 121.2 1.4 -84.8 -26.9 25.4 1.6 20.0 21 21 A A S < S- 0 0 36 -4,-1.6 -1,-0.2 -5,-0.1 0, 0.0 -0.984 85.0 -69.0-160.6 161.8 28.8 0.2 21.1 22 22 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 105,-0.1 -0.065 46.3-154.1 -58.9 159.4 30.8 -2.9 22.0 23 23 A V - 0 0 1 103,-0.3 2,-0.4 -5,-0.1 106,-0.2 -0.951 16.4-153.3-135.8 153.1 30.0 -4.8 25.1 24 24 A R E +a 2 0A 100 -23,-2.7 -21,-2.8 -2,-0.3 2,-0.3 -0.996 32.3 170.8-121.6 123.0 31.7 -7.1 27.6 25 25 A L E +a 3 0A 6 -2,-0.4 2,-0.3 98,-0.3 -21,-0.2 -0.903 20.9 177.0-134.8 158.4 29.3 -9.5 29.2 26 26 A Q E -a 4 0A 115 -23,-1.9 -21,-2.8 -2,-0.3 2,-0.3 -0.964 39.4 -98.6-145.3 158.6 29.2 -12.6 31.4 27 27 A L E -a 5 0A 26 -2,-0.3 -21,-0.2 -23,-0.2 2,-0.1 -0.581 36.3-114.6 -77.8 141.7 26.3 -14.5 32.9 28 28 A D > - 0 0 41 -23,-2.9 3,-2.4 -2,-0.3 4,-0.4 -0.416 28.9-114.6 -61.9 146.8 25.2 -13.8 36.4 29 29 A A G > S+ 0 0 88 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.820 113.8 68.9 -53.4 -30.8 25.7 -16.9 38.7 30 30 A S G 3 S+ 0 0 74 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.612 89.3 64.5 -68.6 -11.3 22.0 -17.1 39.1 31 31 A A G <> S+ 0 0 7 -3,-2.4 4,-1.6 -26,-0.2 -1,-0.3 0.729 84.4 75.4 -77.7 -28.6 21.7 -18.1 35.4 32 32 A A H <> S+ 0 0 21 -3,-1.3 4,-2.7 -4,-0.4 5,-0.3 0.876 84.7 60.3 -58.1 -43.5 23.5 -21.4 35.8 33 33 A P H > S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.944 110.7 37.2 -54.4 -52.9 20.8 -23.5 37.6 34 34 A A H > S+ 0 0 48 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.881 116.2 53.0 -73.1 -35.2 18.2 -23.3 34.9 35 35 A I H X S+ 0 0 1 -4,-1.6 4,-1.6 73,-0.2 -1,-0.2 0.967 115.7 39.7 -58.7 -51.1 20.6 -23.5 32.0 36 36 A D H X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.825 111.9 58.0 -71.8 -28.7 22.2 -26.7 33.3 37 37 A A H X S+ 0 0 42 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.892 104.7 48.8 -72.2 -34.6 18.9 -28.2 34.5 38 38 A S H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.896 111.3 51.6 -74.3 -31.8 17.3 -28.1 31.0 39 39 A V H X S+ 0 0 18 -4,-1.6 4,-2.9 75,-0.2 -2,-0.2 0.929 108.9 51.0 -60.8 -45.5 20.5 -29.8 29.6 40 40 A A H X S+ 0 0 47 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.870 107.3 53.3 -62.5 -32.8 20.2 -32.4 32.3 41 41 A C H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.951 110.7 46.3 -65.1 -46.1 16.6 -33.0 31.3 42 42 A V H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.937 112.7 50.6 -58.0 -45.1 17.7 -33.5 27.6 43 43 A E H X S+ 0 0 118 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.852 108.5 52.6 -63.4 -35.2 20.5 -35.8 28.8 44 44 A Q H X S+ 0 0 101 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.891 106.4 52.9 -70.2 -37.8 17.9 -37.8 30.9 45 45 A I H <>S+ 0 0 5 -4,-2.3 5,-2.3 1,-0.2 4,-0.3 0.951 114.1 42.7 -59.5 -44.6 15.7 -38.3 27.9 46 46 A I H ><5S+ 0 0 73 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.921 113.8 49.9 -68.8 -44.0 18.6 -39.7 25.9 47 47 A A H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.1 49.8 -62.8 -30.4 19.9 -41.9 28.8 48 48 A E T 3<5S- 0 0 102 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.338 110.3-122.9 -91.9 1.0 16.4 -43.3 29.4 49 49 A D T < 5 + 0 0 107 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.2 0.831 60.1 150.7 55.8 37.5 16.0 -44.1 25.6 50 50 A R < - 0 0 101 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.463 43.4-126.6 -88.0 162.0 12.9 -42.0 25.4 51 51 A T + 0 0 64 -2,-0.2 2,-0.4 -3,-0.1 15,-0.1 -0.954 28.8 173.4-119.0 131.9 11.9 -40.3 22.3 52 52 A A >>> - 0 0 16 -2,-0.5 3,-2.4 13,-0.1 4,-1.9 -0.965 34.6-116.6-138.4 118.4 11.2 -36.6 22.1 53 53 A Y T 345S+ 0 0 81 -2,-0.4 11,-0.1 1,-0.3 6,-0.1 -0.265 102.6 13.9 -49.4 127.3 10.5 -34.6 19.0 54 54 A G T 345S+ 0 0 4 4,-0.4 -1,-0.3 9,-0.2 135,-0.2 0.454 123.4 66.1 81.6 2.3 13.2 -31.9 18.5 55 55 A I T <45S- 0 0 3 -3,-2.4 131,-0.6 3,-0.1 -2,-0.2 0.723 125.1 -10.6-110.5 -64.2 15.5 -33.6 21.0 56 56 A N T <5S+ 0 0 5 -4,-1.9 11,-1.3 129,-0.1 2,-0.2 0.061 110.4 95.9-132.1 22.2 16.5 -37.0 19.7 57 57 A T B < -B 66 0B 4 -5,-0.6 6,-0.2 9,-0.2 9,-0.2 -0.583 66.1-125.7 -98.9 170.3 14.2 -37.5 16.7 58 58 A G - 0 0 6 4,-2.0 -4,-0.4 7,-0.8 2,-0.3 -0.108 34.4-105.7 -85.3-160.4 14.8 -36.8 13.0 59 59 A F S > S+ 0 0 67 -2,-0.1 3,-1.4 -6,-0.1 2,-0.1 -0.790 79.9 1.8-119.8 161.7 12.3 -34.7 11.0 60 60 A G G > S+ 0 0 64 -2,-0.3 3,-2.5 1,-0.3 4,-0.3 -0.389 136.8 15.3 65.4-128.4 9.8 -35.8 8.6 61 61 A L G 3 S+ 0 0 157 1,-0.3 3,-0.4 -2,-0.1 -1,-0.3 0.864 139.9 41.9 -50.0 -42.5 9.6 -39.6 8.1 62 62 A L G X S+ 0 0 64 -3,-1.4 3,-2.4 1,-0.2 -4,-2.0 0.043 75.3 121.3 -89.1 13.5 11.7 -39.8 11.4 63 63 A A T < S+ 0 0 30 -3,-2.5 -9,-0.2 1,-0.3 -1,-0.2 0.772 95.3 22.8 -60.7 -32.1 9.8 -37.1 13.4 64 64 A S T 3 S+ 0 0 105 -3,-0.4 2,-0.5 -4,-0.3 -1,-0.3 -0.241 102.9 110.9-122.1 48.0 8.9 -39.6 16.1 65 65 A T < - 0 0 59 -3,-2.4 2,-1.3 -7,-0.1 -7,-0.8 -0.961 68.3-137.0-115.1 114.2 11.8 -41.9 15.1 66 66 A R B -B 57 0B 110 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.1 -0.570 26.3-155.8 -73.7 101.3 14.5 -41.9 17.8 67 67 A I - 0 0 33 -2,-1.3 5,-0.1 -11,-1.3 -2,-0.0 -0.546 21.2 -95.2 -82.5 158.6 17.6 -41.7 15.6 68 68 A A > - 0 0 46 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.083 35.0-102.2 -66.4 159.1 21.0 -43.0 16.9 69 69 A S H >> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.921 116.7 52.0 -41.6 -66.3 23.7 -40.9 18.6 70 70 A H H 3> S+ 0 0 119 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.934 109.7 47.6 -31.3 -60.8 26.0 -40.7 15.6 71 71 A D H 3> S+ 0 0 89 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.858 108.6 60.1 -63.8 -26.9 23.3 -39.4 13.3 72 72 A L H > - 0 0 58 1,-0.1 4,-2.3 41,-0.1 3,-0.6 -0.368 31.7-107.8 -72.6 159.2 26.8 -4.3 10.1 93 93 A D H 3> S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.840 115.5 60.0 -60.8 -35.3 28.7 -5.4 13.2 94 94 A D H 3> S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 110.2 42.9 -59.9 -41.3 26.5 -3.3 15.6 95 95 A L H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.894 112.0 52.4 -73.5 -39.0 23.4 -5.3 14.5 96 96 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.931 109.3 51.6 -58.1 -44.9 25.2 -8.6 14.5 97 97 A R H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.928 109.2 49.6 -57.8 -46.4 26.3 -7.9 18.1 98 98 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.927 110.7 49.5 -59.9 -45.6 22.7 -7.1 19.1 99 99 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.928 111.5 49.4 -57.9 -46.2 21.5 -10.4 17.5 100 100 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.920 112.3 47.3 -59.6 -47.1 24.2 -12.4 19.3 101 101 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.905 111.0 51.2 -64.0 -39.9 23.3 -10.8 22.7 102 102 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.909 111.6 48.2 -61.9 -40.3 19.6 -11.3 22.2 103 103 A K H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.937 111.9 49.1 -66.1 -46.1 20.3 -15.0 21.4 104 104 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.932 112.5 49.6 -52.1 -50.2 22.6 -15.3 24.5 105 105 A N H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.935 112.7 44.7 -58.6 -48.8 19.9 -13.7 26.6 106 106 A S H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 5,-0.4 0.927 115.9 45.5 -63.4 -47.9 17.1 -16.0 25.4 107 107 A L H >< S+ 0 0 3 -4,-2.7 3,-1.6 1,-0.2 5,-0.4 0.825 104.9 64.0 -63.7 -34.5 19.0 -19.2 25.6 108 108 A S T 3< S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.3 -73,-0.2 0.551 80.5 79.9 -75.0 -4.1 20.3 -18.2 29.1 109 109 A R T < S- 0 0 92 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.630 104.3-123.0 -74.1 -12.6 16.8 -18.3 30.6 110 110 A G S < S+ 0 0 7 -3,-1.6 206,-0.3 -4,-0.2 -72,-0.2 0.585 82.5 106.3 90.4 14.4 17.2 -22.1 30.7 111 111 A F + 0 0 67 -5,-0.4 203,-3.0 1,-0.1 -3,-0.1 0.273 68.2 67.4-102.5 7.4 14.3 -23.4 28.7 112 112 A S S S- 0 0 0 -5,-0.4 -1,-0.1 201,-0.2 78,-0.1 0.569 89.6-130.1-110.4 -14.5 16.2 -24.5 25.6 113 113 A G + 0 0 3 1,-0.2 2,-0.3 201,-0.2 74,-0.1 0.713 56.5 141.2 74.3 20.9 18.4 -27.4 26.7 114 114 A I - 0 0 2 -7,-0.2 -1,-0.2 72,-0.1 -75,-0.2 -0.759 57.8-100.8-100.2 139.1 21.6 -26.0 25.2 115 115 A R >> - 0 0 69 -2,-0.3 4,-1.7 1,-0.1 3,-1.3 -0.286 19.9-129.4 -58.4 140.5 24.9 -26.4 27.0 116 116 A R H 3> S+ 0 0 94 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.869 108.6 64.8 -55.9 -33.8 26.3 -23.5 29.0 117 117 A K H 3> S+ 0 0 147 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.838 101.1 48.7 -59.0 -35.5 29.5 -24.0 27.1 118 118 A V H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.921 111.5 48.9 -73.5 -42.3 27.8 -23.1 23.8 119 119 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.935 110.5 51.9 -56.7 -44.5 26.2 -20.0 25.3 120 120 A D H X S+ 0 0 71 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.807 103.6 57.7 -68.4 -25.2 29.7 -19.0 26.7 121 121 A A H X S+ 0 0 3 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.917 107.1 47.6 -67.8 -42.0 31.2 -19.5 23.2 122 122 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.917 111.8 51.4 -60.9 -42.6 28.7 -16.9 21.8 123 123 A I H X S+ 0 0 8 -4,-2.4 4,-3.0 1,-0.2 -98,-0.3 0.925 106.5 53.8 -59.4 -42.4 29.6 -14.6 24.8 124 124 A A H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 107.4 51.1 -60.0 -38.3 33.3 -15.0 24.0 125 125 A L H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.7 0.941 111.5 46.9 -63.9 -47.6 32.7 -13.9 20.4 126 126 A V H ><5S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -103,-0.3 0.943 113.1 48.8 -55.0 -48.7 30.9 -10.8 21.6 127 127 A N H 3<5S+ 0 0 45 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.6 49.0 -65.3 -30.9 33.6 -10.0 24.1 128 128 A A H 3<5S- 0 0 24 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.527 111.5-120.9 -82.3 -6.8 36.3 -10.4 21.5 129 129 A E T <<5 + 0 0 59 -3,-1.2 2,-0.5 -4,-0.7 34,-0.5 0.909 62.8 147.4 62.8 45.1 34.4 -8.1 19.1 130 130 A V E < -D 162 0D 0 -5,-2.5 -1,-0.2 32,-0.1 32,-0.2 -0.962 28.8-166.9-113.7 118.4 34.3 -11.0 16.5 131 131 A Y E -D 161 0D 9 30,-2.7 30,-3.0 -2,-0.5 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173 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 114.4 51.1 -63.8 -39.9 40.9 -17.5 12.7 172 174 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.927 109.2 48.9 -65.4 -44.0 37.9 -15.7 14.1 173 175 A L H <>S+ 0 0 1 -4,-2.8 5,-3.0 -5,-0.2 4,-0.3 0.934 109.7 53.2 -59.6 -42.3 37.4 -18.4 16.8 174 176 A A H ><5S+ 0 0 66 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.902 103.3 56.3 -64.5 -38.9 41.1 -18.2 17.7 175 177 A V H 3<5S+ 0 0 57 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.871 110.5 46.4 -55.2 -39.7 40.9 -14.5 18.2 176 178 A A T 3<5S- 0 0 18 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.389 121.7-107.9 -86.7 3.6 38.1 -15.2 20.7 177 179 A G T < 5S+ 0 0 71 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.761 80.4 120.7 85.0 17.7 40.0 -18.0 22.4 178 180 A L < - 0 0 39 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.758 49.4-153.2-115.9 158.0 37.9 -20.7 21.0 179 181 A E - 0 0 151 -2,-0.3 -23,-0.1 -3,-0.1 -9,-0.0 -0.851 50.2 -71.6-120.4 166.1 38.2 -23.8 18.8 180 182 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.251 53.0-140.5 -54.8 142.5 35.3 -25.2 16.7 181 183 A L - 0 0 26 -27,-2.9 2,-0.5 -63,-0.0 -3,-0.0 -0.694 5.1-138.2-103.1 157.0 32.5 -26.8 18.6 182 184 A T - 0 0 81 -2,-0.3 2,-0.2 -106,-0.0 -108,-0.1 -0.965 28.3-132.2-106.8 127.7 30.4 -29.9 18.0 183 185 A L - 0 0 6 -2,-0.5 -107,-0.2 -110,-0.2 2,-0.2 -0.474 16.6-149.5 -83.5 155.2 26.7 -29.5 18.8 184 186 A A >> - 0 0 37 1,-0.2 3,-2.0 -2,-0.2 4,-0.6 -0.542 43.9 -45.1-109.8 177.5 24.6 -31.9 20.8 185 187 A A T 34 S+ 0 0 10 1,-0.3 -1,-0.2 -2,-0.2 -129,-0.1 -0.097 125.3 4.8 -46.3 136.2 20.9 -32.9 20.8 186 188 A K T 3> S+ 0 0 2 -131,-0.6 4,-2.4 1,-0.1 -1,-0.3 0.143 102.0 104.1 74.4 -16.0 18.5 -30.0 20.6 187 189 A E H <> S+ 0 0 2 -3,-2.0 4,-2.3 2,-0.2 5,-0.2 0.859 73.5 55.0 -72.4 -36.0 21.3 -27.4 20.1 188 190 A G H X S+ 0 0 0 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.955 114.3 41.9 -58.1 -46.3 20.9 -26.9 16.4 189 191 A L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 122,-0.2 0.877 111.1 55.8 -67.8 -36.8 17.2 -26.0 16.9 190 192 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.9 39.4 -63.2 -37.1 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7.7 19.2 211 213 A D H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 113.4 46.7 -57.1 -43.5 16.3 9.7 17.9 212 214 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.894 109.0 53.6 -69.5 -39.6 14.1 11.3 15.3 213 215 A Y H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.949 111.0 47.0 -54.9 -51.4 11.3 12.1 17.8 214 216 A A H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.939 113.6 47.1 -59.4 -47.0 13.9 13.9 20.0 215 217 A A H X S+ 0 0 6 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.902 108.9 56.2 -61.9 -36.6 15.4 15.8 17.1 216 218 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.788 101.4 55.6 -68.8 -30.2 11.9 16.8 15.9 217 219 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.940 113.6 42.0 -63.7 -45.6 11.0 18.4 19.2 218 220 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.930 117.1 46.6 -67.0 -45.0 14.1 20.6 19.0 219 221 A C H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.937 113.0 49.1 -63.6 -43.1 13.6 21.3 15.3 220 222 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.870 109.5 52.1 -65.2 -36.6 9.9 22.1 15.7 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