==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-08 2ZXA . COMPND 2 MOLECULE: ALPHA-L-FUCOSIDASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.-J.WU,T.-P.KO,C.-W.HO,C.-H.LIN,A.H.-J.WANG . 884 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.0 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 7 2 2 0 0 2 2 2 2 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 3 3 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 PARALLEL BRIDGES PER LADDER . 7 3 2 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 2 3 0 0 1 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 7 A R 0 0 242 0, 0.0 2,-0.3 0, 0.0 237,-0.1 0.000 360.0 360.0 360.0 157.9 25.5 9.2 33.6 2 8 A Y - 0 0 47 232,-0.3 7,-0.1 231,-0.1 236,-0.1 -0.610 360.0-137.6 -76.3 145.1 22.0 10.3 34.7 3 9 A K - 0 0 131 -2,-0.3 2,-2.4 2,-0.2 6,-0.2 -0.632 23.0-100.9-102.0 161.0 19.8 7.3 35.5 4 10 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 227,-0.2 -0.426 90.1 90.3 -80.0 71.0 16.2 6.8 34.5 5 11 A D S > S- 0 0 55 -2,-2.4 4,-2.5 225,-0.3 3,-0.5 -0.951 80.9-118.0-160.6 144.4 14.7 7.7 37.9 6 12 A W H > S+ 0 0 26 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.779 110.1 58.1 -54.6 -34.3 13.5 10.9 39.5 7 13 A E H 4 S+ 0 0 39 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.896 113.2 39.6 -64.9 -43.7 16.1 10.9 42.3 8 14 A S H >4 S+ 0 0 3 -3,-0.5 3,-1.3 1,-0.2 4,-0.3 0.897 111.9 55.3 -71.0 -41.5 18.9 10.8 39.9 9 15 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.747 91.7 74.4 -64.4 -21.8 17.3 13.3 37.4 10 16 A R T 3< S+ 0 0 12 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.849 83.4 70.5 -57.9 -34.8 17.0 15.7 40.3 11 17 A E T < S+ 0 0 33 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.3 0.758 82.3 82.4 -51.4 -33.8 20.8 16.2 39.8 12 18 A H < - 0 0 3 -3,-1.7 2,-0.3 -4,-0.3 242,-0.2 -0.639 64.3-178.3 -78.4 126.4 20.2 18.0 36.6 13 19 A T - 0 0 70 -2,-0.4 242,-0.1 701,-0.2 3,-0.1 -0.896 42.1 -66.9-125.5 163.0 19.4 21.7 37.1 14 20 A V - 0 0 36 241,-0.5 230,-0.1 -2,-0.3 -1,-0.1 -0.087 65.2-109.8 -43.1 125.4 18.6 24.5 34.8 15 21 A P >> - 0 0 4 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.201 15.2-119.2 -66.5 153.8 21.7 25.2 32.8 16 22 A K H 3> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 111.2 58.1 -55.6 -42.2 23.7 28.3 33.2 17 23 A W H 3> S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 107.3 46.7 -62.7 -34.0 23.1 29.4 29.7 18 24 A F H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.926 111.0 51.7 -73.0 -44.2 19.3 29.4 30.1 19 25 A D H < S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.8 42.7 -57.0 -40.7 19.5 31.3 33.3 20 26 A K H < S+ 0 0 112 -4,-2.2 331,-2.6 -5,-0.2 332,-0.2 0.679 97.5 80.0 -80.3 -24.9 21.7 33.9 31.8 21 27 A A < - 0 0 8 -4,-1.5 3,-0.1 -5,-0.2 92,-0.1 -0.566 62.0-175.2 -73.9 145.5 19.8 34.3 28.6 22 28 A K + 0 0 3 1,-0.3 293,-2.8 -2,-0.2 2,-0.4 0.685 57.1 43.3-123.6 -4.3 16.9 36.4 29.5 23 29 A F E +a 315 0A 0 291,-0.2 91,-2.9 89,-0.2 92,-0.5 -0.995 55.9 172.0-143.6 136.9 14.9 36.5 26.5 24 30 A G E -ab 316 115A 0 291,-2.5 293,-1.8 -2,-0.4 2,-0.5 -0.931 28.5-120.1-139.1 161.0 13.7 34.0 23.9 25 31 A I E -ab 317 116A 0 90,-2.9 92,-3.0 -2,-0.3 2,-0.4 -0.912 17.6-159.0-110.6 131.0 11.4 33.9 21.0 26 32 A F E -ab 318 117A 2 291,-2.9 293,-2.3 -2,-0.5 2,-0.4 -0.785 8.7-160.5 -96.2 140.7 8.4 31.6 20.9 27 33 A I E -ab 319 118A 1 90,-2.5 92,-2.2 -2,-0.4 2,-0.9 -0.875 10.8-172.9-131.1 109.1 7.0 30.8 17.4 28 34 A H + 0 0 4 291,-1.7 258,-0.4 256,-0.5 2,-0.4 -0.829 28.1 150.4 -98.5 104.6 3.5 29.5 17.0 29 35 A W + 0 0 6 -2,-0.9 2,-0.3 90,-0.2 99,-0.1 -0.998 11.4 112.4-138.2 130.6 3.2 28.7 13.2 30 36 A G S > S- 0 0 2 -2,-0.4 3,-1.9 291,-0.2 4,-0.4 -0.937 80.1 -53.5-173.9-165.0 1.1 26.0 11.6 31 37 A I G > S+ 0 0 0 1,-0.3 3,-0.9 -2,-0.3 5,-0.1 0.722 125.3 66.5 -68.6 -13.4 -1.8 25.3 9.4 32 38 A Y G 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.662 85.4 72.7 -76.3 -18.4 -3.9 27.5 11.7 33 39 A S G <4 S+ 0 0 2 -3,-1.9 290,-0.8 2,-0.2 -1,-0.2 0.745 88.2 64.5 -65.9 -23.9 -1.8 30.4 10.5 34 40 A V T <4 S+ 0 0 24 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.979 111.1 30.6 -67.1 -60.4 -3.6 30.2 7.1 35 41 A P T 4 S- 0 0 0 0, 0.0 253,-0.2 0, 0.0 -2,-0.2 0.912 90.6-177.0 -65.9 -29.6 -7.1 31.2 8.3 36 42 A G < + 0 0 0 -4,-1.9 252,-3.1 1,-0.1 2,-0.4 0.870 28.6 135.9 37.2 61.3 -5.2 33.2 10.9 37 43 A W + 0 0 28 -5,-0.3 2,-0.3 22,-0.3 -1,-0.1 -0.990 19.9 143.7-145.2 135.6 -8.4 34.3 12.7 38 44 A A - 0 0 1 -2,-0.4 251,-0.1 19,-0.1 21,-0.1 -0.990 51.0-103.3-161.1 158.4 -9.8 34.8 16.2 39 45 A T - 0 0 23 17,-0.6 2,-2.4 -2,-0.3 3,-0.2 -0.779 35.9-141.9 -84.5 109.8 -12.0 36.9 18.4 40 46 A P + 0 0 33 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.425 40.3 159.2 -76.8 66.5 -9.4 38.9 20.4 41 47 A T - 0 0 65 -2,-2.4 2,-0.3 14,-0.4 15,-0.1 0.738 50.7 -72.9 -62.6 -33.1 -11.5 38.7 23.6 42 48 A G - 0 0 16 -3,-0.2 -1,-0.2 240,-0.1 2,-0.2 -0.930 60.5 -43.4 156.4 177.7 -8.8 39.3 26.2 43 49 A E >> - 0 0 68 -2,-0.3 3,-2.3 1,-0.1 4,-0.8 -0.457 60.6-100.1 -77.1 145.3 -5.9 38.1 28.1 44 50 A L T 34 S+ 0 0 22 1,-0.3 218,-2.2 2,-0.2 219,-0.3 -0.474 113.4 33.9 -63.1 130.9 -5.7 34.5 29.6 45 51 A G T 34 S+ 0 0 46 2,-0.4 -1,-0.3 -2,-0.2 4,-0.1 0.069 114.6 60.9 108.4 -19.9 -6.5 34.8 33.3 46 52 A K T <4 S+ 0 0 145 -3,-2.3 -2,-0.2 2,-0.1 -3,-0.1 0.482 83.4 81.1-117.9 -5.1 -9.0 37.7 32.8 47 53 A V S < S- 0 0 13 -4,-0.8 -2,-0.4 -5,-0.1 5,-0.1 -0.887 90.2-110.3-102.3 123.3 -11.6 36.1 30.5 48 54 A P >> - 0 0 81 0, 0.0 3,-2.3 0, 0.0 4,-1.8 -0.246 21.1-132.8 -52.1 129.5 -14.2 34.0 32.4 49 55 A M T 34 S+ 0 0 70 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.498 101.2 72.4 -66.9 0.8 -13.6 30.3 31.5 50 56 A D T 34 S+ 0 0 122 2,-0.1 -1,-0.3 131,-0.1 4,-0.0 0.601 113.6 25.7 -87.8 -15.0 -17.3 29.8 30.9 51 57 A A T X> S+ 0 0 36 -3,-2.3 4,-1.6 2,-0.1 3,-1.4 0.646 97.7 94.2-118.8 -27.3 -16.8 31.9 27.7 52 58 A W G >< S+ 0 0 6 -4,-1.8 3,-0.6 1,-0.3 -3,-0.1 0.809 89.0 40.4 -36.6 -62.5 -13.2 31.3 26.8 53 59 A F G 34 S+ 0 0 6 -4,-0.4 3,-0.5 127,-0.4 -1,-0.3 0.714 115.4 53.6 -68.0 -19.3 -13.4 28.3 24.4 54 60 A F G <4 S+ 0 0 49 -3,-1.4 19,-0.3 126,-0.2 -1,-0.2 0.732 124.6 24.3 -82.8 -24.5 -16.5 29.9 22.8 55 61 A Q S << S- 0 0 74 -4,-1.6 -14,-0.4 -3,-0.6 -1,-0.2 -0.431 89.8-178.9-132.1 49.3 -14.8 33.3 22.0 56 62 A N - 0 0 2 -3,-0.5 -17,-0.6 1,-0.2 -3,-0.1 -0.361 21.5-164.7 -64.7 116.9 -11.2 32.0 22.0 57 63 A P + 0 0 0 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.536 67.7 94.5 -78.0 -3.6 -8.6 34.7 21.5 58 64 A Y > - 0 0 11 225,-0.2 3,-2.3 1,-0.2 225,-0.1 -0.760 60.9-164.5 -91.3 103.8 -5.9 32.0 20.7 59 65 A A G > S+ 0 0 1 -2,-1.1 3,-1.5 226,-0.4 -22,-0.3 0.725 84.1 68.2 -59.3 -23.1 -6.0 31.7 16.9 60 66 A E G 3 S+ 0 0 3 1,-0.3 3,-0.3 225,-0.1 -1,-0.3 0.575 88.9 68.0 -75.4 -0.5 -4.0 28.5 17.0 61 67 A W G <> + 0 0 14 -3,-2.3 4,-2.4 1,-0.2 3,-0.4 0.314 65.8 119.1 -94.9 10.2 -7.2 26.9 18.6 62 68 A Y H <> + 0 0 2 -3,-1.5 4,-3.1 1,-0.2 5,-0.2 0.841 69.1 51.5 -41.8 -55.1 -9.1 27.4 15.4 63 69 A E H > S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.930 111.7 48.0 -54.4 -45.2 -9.8 23.7 14.8 64 70 A N H > S+ 0 0 0 -3,-0.4 4,-0.5 2,-0.2 3,-0.2 0.944 114.7 44.8 -59.7 -48.4 -11.3 23.4 18.3 65 71 A S H >< S+ 0 0 4 -4,-2.4 3,-1.1 1,-0.2 9,-0.3 0.880 109.0 58.2 -61.9 -38.5 -13.4 26.6 17.8 66 72 A L H 3< S+ 0 0 19 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.864 101.4 55.7 -58.6 -39.7 -14.4 25.3 14.3 67 73 A R H 3< S+ 0 0 38 -4,-2.0 2,-1.0 -3,-0.2 -1,-0.3 0.623 91.2 78.3 -70.8 -17.1 -15.9 22.2 16.0 68 74 A I S << S- 0 0 5 -3,-1.1 6,-0.4 -4,-0.5 -1,-0.1 -0.828 85.1-144.2 -92.2 98.0 -18.1 24.2 18.2 69 75 A K S S+ 0 0 114 -2,-1.0 -2,-0.1 1,-0.2 4,-0.1 -0.208 81.9 32.1 -58.6 151.0 -20.9 25.2 15.8 70 76 A E S S+ 0 0 151 1,-0.3 -1,-0.2 -4,-0.1 3,-0.1 0.994 89.3 130.4 58.4 64.8 -22.3 28.6 16.2 71 77 A S S > S- 0 0 4 1,-0.1 4,-2.8 -5,-0.1 -1,-0.3 -0.931 74.9-111.6-143.2 145.2 -19.0 29.9 17.4 72 78 A P H > S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.896 122.0 51.8 -49.2 -42.4 -17.6 33.1 15.8 73 79 A T H > S+ 0 0 6 -19,-0.3 4,-2.7 2,-0.2 5,-0.2 0.894 109.2 50.3 -60.3 -43.0 -14.9 31.0 14.2 74 80 A W H > S+ 0 0 44 -6,-0.4 4,-2.2 -9,-0.3 5,-0.2 0.963 111.6 45.6 -60.8 -53.3 -17.5 28.6 12.9 75 81 A E H X S+ 0 0 102 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.944 115.4 49.2 -56.3 -47.9 -19.6 31.4 11.3 76 82 A Y H X S+ 0 0 35 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.883 110.2 49.7 -56.6 -44.8 -16.4 33.0 9.9 77 83 A H H X>S+ 0 0 4 -4,-2.7 4,-3.8 2,-0.2 5,-1.8 0.893 109.9 50.5 -63.0 -45.1 -15.1 29.7 8.4 78 84 A V H <5S+ 0 0 45 -4,-2.2 5,-0.3 3,-0.2 -2,-0.2 0.902 114.0 43.4 -65.9 -39.6 -18.4 28.9 6.6 79 85 A K H <5S+ 0 0 177 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.806 125.7 34.8 -73.9 -28.6 -18.7 32.4 5.0 80 86 A T H <5S+ 0 0 57 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.866 140.1 6.4 -92.1 -42.5 -14.9 32.4 4.0 81 87 A Y T <5S- 0 0 64 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.1 0.620 103.0-116.5-118.1 -24.5 -14.1 28.7 3.2 82 88 A G > < - 0 0 21 -5,-1.8 3,-1.8 1,-0.1 -3,-0.1 0.105 25.7 -82.4 98.9 150.8 -17.4 26.9 3.3 83 89 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -5,-0.3 -5,-0.1 0.854 124.7 54.9 -54.8 -37.9 -19.1 24.1 5.3 84 90 A N T 3 S+ 0 0 155 -6,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.180 82.3 101.1 -83.9 13.6 -17.4 21.4 3.2 85 91 A F < - 0 0 27 -3,-1.8 2,-0.1 -8,-0.0 -4,-0.1 -0.854 64.3-151.2-105.5 102.7 -13.9 22.7 3.9 86 92 A E > - 0 0 93 -2,-0.8 3,-1.8 1,-0.1 4,-0.4 -0.367 22.1-118.8 -71.6 148.1 -12.3 20.6 6.5 87 93 A Y G > S+ 0 0 5 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.898 112.8 62.3 -51.8 -45.3 -9.7 21.9 8.8 88 94 A E G > S+ 0 0 68 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.762 86.3 75.3 -55.2 -25.4 -7.1 19.4 7.5 89 95 A K G X> S+ 0 0 83 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.740 78.3 74.5 -61.9 -21.9 -7.5 21.0 4.1 90 96 A F H X> S+ 0 0 0 -3,-2.6 4,-1.9 -4,-0.4 3,-0.8 0.784 79.7 71.1 -62.9 -25.0 -5.4 24.0 5.4 91 97 A A H <4 S+ 0 0 0 -3,-1.8 51,-0.6 -4,-0.3 -1,-0.3 0.823 97.5 52.3 -59.7 -27.9 -2.2 21.8 5.2 92 98 A D H <4 S+ 0 0 82 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.740 111.9 44.3 -81.8 -18.3 -2.6 22.1 1.4 93 99 A L H << S+ 0 0 78 -3,-0.8 2,-1.9 -4,-0.6 3,-0.2 0.651 88.8 94.2 -96.0 -14.6 -2.8 25.9 1.7 94 100 A F < + 0 0 0 -4,-1.9 -1,-0.1 1,-0.2 230,-0.1 -0.536 46.2 145.8 -76.2 87.1 0.1 26.1 4.1 95 101 A T - 0 0 50 -2,-1.9 -1,-0.2 47,-0.2 229,-0.2 0.719 43.2-150.9-103.3 -17.6 2.7 26.7 1.6 96 102 A A > + 0 0 6 227,-1.6 3,-2.1 -3,-0.2 228,-0.2 0.747 32.7 163.7 51.5 30.4 5.3 29.0 3.2 97 103 A E T 3 S+ 0 0 158 1,-0.3 228,-0.1 226,-0.1 -1,-0.1 0.738 72.0 40.1 -48.2 -35.3 6.0 30.4 -0.3 98 104 A K T 3 S+ 0 0 144 226,-1.8 2,-0.3 2,-0.0 -1,-0.3 -0.021 86.2 136.0-105.1 29.2 7.8 33.5 1.1 99 105 A W < + 0 0 16 -3,-2.1 227,-0.1 -4,-0.1 226,-0.1 -0.622 23.6 172.0 -86.9 134.4 9.7 31.9 4.0 100 106 A D >> - 0 0 66 225,-0.6 4,-1.9 -2,-0.3 3,-0.7 -0.789 12.4-169.3-137.3 94.0 13.3 32.7 4.7 101 107 A P H 3> S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.857 87.1 55.8 -53.3 -39.7 14.6 31.2 7.9 102 108 A Q H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 105.8 53.4 -64.0 -34.2 17.9 33.1 7.9 103 109 A E H <> S+ 0 0 132 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.919 110.8 47.6 -60.9 -42.4 15.8 36.3 7.7 104 110 A W H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.967 112.3 47.6 -60.5 -52.1 13.9 35.1 10.8 105 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.885 111.9 51.8 -58.0 -37.2 17.0 34.2 12.8 106 112 A D H X S+ 0 0 75 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.951 108.8 48.5 -65.5 -45.6 18.4 37.5 11.9 107 113 A L H X S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.915 111.5 51.3 -61.6 -38.1 15.4 39.4 13.1 108 114 A F H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 -1,-0.2 0.843 110.8 47.9 -69.6 -31.4 15.4 37.4 16.3 109 115 A K H ><5S+ 0 0 109 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.922 112.5 48.4 -73.0 -41.9 19.1 38.2 16.9 110 116 A K H 3<5S+ 0 0 103 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.930 105.0 60.6 -66.5 -35.3 18.5 41.8 16.2 111 117 A A T 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.591 120.1-109.1 -65.9 -6.1 15.6 41.7 18.6 112 118 A G T < 5 + 0 0 7 -3,-1.9 -89,-0.2 1,-0.3 -3,-0.2 0.499 67.8 147.2 93.0 4.0 17.9 40.7 21.4 113 119 A A < - 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0 0 3 -3,-0.6 -17,-0.6 1,-0.2 -3,-0.1 -0.429 20.0-162.6 -62.3 120.0 33.5 -3.3 61.8 500 63 B P + 0 0 0 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.634 68.9 93.8 -77.2 -13.4 35.6 -0.1 62.3 501 64 B Y > - 0 0 13 225,-0.2 3,-2.3 1,-0.2 225,-0.1 -0.701 61.0-164.9 -83.2 102.4 32.4 1.9 63.1 502 65 B A G > S+ 0 0 1 -2,-1.1 3,-1.9 226,-0.5 -22,-0.3 0.774 84.6 68.5 -62.3 -28.3 32.2 1.8 66.9 503 66 B E G 3 S+ 0 0 2 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.632 91.2 66.5 -62.6 -10.9 28.5 3.0 66.8 504 67 B W G <> + 0 0 16 -3,-2.3 4,-2.6 1,-0.2 3,-0.3 0.274 66.6 118.1 -91.4 11.3 27.9 -0.5 65.2 505 68 B Y H <> S+ 0 0 1 -3,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.841 70.4 50.6 -44.8 -49.0 28.9 -2.1 68.5 506 69 B E H > S+ 0 0 3 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.915 109.9 49.0 -63.2 -43.4 25.5 -3.7 69.1 507 70 B N H > S+ 0 0 0 -3,-0.3 4,-0.6 2,-0.2 3,-0.2 0.974 114.6 46.8 -56.6 -48.0 25.4 -5.2 65.6 508 71 B S H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 9,-0.4 0.911 108.8 54.9 -59.4 -42.1 29.0 -6.5 66.2 509 72 B L H 3< S+ 0 0 24 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 101.7 58.3 -60.2 -36.9 28.0 -7.8 69.6 510 73 B R H 3< S+ 0 0 62 -4,-2.1 2,-1.0 -3,-0.2 -1,-0.3 0.616 89.7 80.3 -70.5 -13.1 25.2 -9.8 68.1 511 74 B I S << S- 0 0 4 -3,-1.5 6,-0.4 -4,-0.6 -1,-0.1 -0.808 84.2-142.6 -95.1 96.5 27.8 -11.7 65.9 512 75 B K S S+ 0 0 124 -2,-1.0 -2,-0.1 1,-0.2 4,-0.1 -0.264 83.3 26.9 -57.5 144.8 29.1 -14.3 68.3 513 76 B E S S+ 0 0 117 1,-0.3 -1,-0.2 -4,-0.1 3,-0.1 0.989 89.4 125.5 59.1 70.3 32.8 -14.7 67.8 514 77 B S S > S- 0 0 6 1,-0.1 4,-2.3 -5,-0.1 5,-0.3 -0.923 79.4-101.8-147.5 153.4 33.5 -11.3 66.4 515 78 B P H > S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.955 124.8 53.3 -49.6 -44.2 36.2 -9.2 67.9 516 79 B T H > S+ 0 0 6 -19,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 107.8 50.2 -56.6 -42.8 33.4 -7.1 69.7 517 80 B W H > S+ 0 0 40 -6,-0.4 4,-2.7 -9,-0.4 5,-0.3 0.966 112.6 44.9 -59.4 -54.2 31.9 -10.3 71.2 518 81 B E H X S+ 0 0 108 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 116.6 48.0 -57.6 -44.1 35.2 -11.6 72.6 519 82 B Y H X S+ 0 0 49 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.894 111.3 48.8 -62.2 -43.3 35.9 -8.2 73.9 520 83 B H H X>S+ 0 0 5 -4,-2.8 4,-3.7 -5,-0.3 5,-1.5 0.899 112.5 47.4 -65.0 -44.0 32.6 -7.6 75.4 521 84 B V H <5S+ 0 0 42 -4,-2.7 5,-0.2 3,-0.2 -1,-0.2 0.883 112.7 48.1 -66.5 -42.6 32.5 -10.9 77.2 522 85 B K H <5S+ 0 0 182 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.833 124.3 33.1 -64.0 -36.9 36.0 -10.5 78.6 523 86 B T H <5S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.807 139.4 8.6 -91.5 -38.3 35.2 -6.9 79.7 524 87 B Y T <5S- 0 0 67 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.699 101.0-120.4-117.3 -27.4 31.5 -6.9 80.7 525 88 B G > < - 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