==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-12 4GXP . COMPND 2 MOLECULE: BETA-GLUCOSIDASE CHIMERIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA, TRICHODERMA REESE . AUTHOR M.A.SMITH,P.A.ROMERO,T.WU,E.M.BRUSTAD,F.H.ARNOLD . 1363 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 979 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 102 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 410 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.8 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 6 3 3 6 2 4 1 0 4 0 5 2 4 1 0 2 0 1 0 2 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 3 6 11 4 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 . 12 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 7 0 0 0 1 0 2 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 11 A K 0 0 78 0, 0.0 454,-0.6 0, 0.0 455,-0.1 0.000 360.0 360.0 360.0 70.7 11.8 20.5 -2.8 2 12 A K B -A 454 0A 80 452,-0.2 452,-0.2 1,-0.1 451,-0.1 -0.248 360.0-132.0 -59.9 143.9 9.5 23.4 -1.7 3 13 A F - 0 0 15 450,-2.5 3,-0.1 1,-0.2 -1,-0.1 -0.399 37.5 -65.5 -89.9 166.2 6.4 22.6 0.4 4 14 A P > - 0 0 61 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.042 69.7 -79.6 -46.7 156.2 2.8 23.8 0.0 5 15 A E T 3 S+ 0 0 109 1,-0.3 448,-0.0 -3,-0.1 -3,-0.0 -0.473 115.9 6.2 -64.7 125.6 2.0 27.5 0.5 6 16 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.546 79.3 170.0 75.8 12.3 1.9 28.3 4.2 7 17 A F < - 0 0 10 -3,-1.6 398,-0.2 1,-0.1 2,-0.2 -0.398 36.1-123.1 -52.1 118.5 3.0 24.9 5.5 8 18 A L E -b 405 0B 31 396,-1.8 398,-2.3 -2,-0.2 2,-0.5 -0.495 23.1-163.3 -72.4 131.4 3.6 25.5 9.3 9 19 A W E +b 406 0B 5 -2,-0.2 63,-1.8 396,-0.2 2,-0.2 -0.976 24.9 157.9-116.0 128.2 7.0 24.7 10.7 10 20 A G E -bc 407 72B 0 396,-2.4 398,-1.2 -2,-0.5 2,-0.3 -0.692 36.6-135.2-135.5-175.7 7.1 24.4 14.4 11 21 A V E -bc 408 73B 6 61,-1.2 63,-2.6 396,-0.3 2,-0.4 -0.958 23.8-146.3-141.5 147.5 8.8 23.1 17.5 12 22 A A E +bc 409 74B 0 396,-3.0 399,-0.8 -2,-0.3 398,-0.6 -0.965 21.7 164.4-124.3 137.0 7.1 21.4 20.4 13 23 A T - 0 0 2 61,-2.5 2,-0.3 -2,-0.4 -2,-0.0 -0.766 23.7-138.5-129.2-178.2 7.8 21.4 24.1 14 24 A A >> - 0 0 1 -2,-0.3 3,-1.5 61,-0.2 4,-0.9 -0.980 20.2-110.6-154.5 136.6 5.5 20.3 26.9 15 25 A S H >> S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.3 3,-1.3 0.744 107.9 37.1 -30.1 -76.9 4.8 21.7 30.4 16 26 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.719 111.9 60.4 -54.0 -28.3 6.2 19.3 32.9 17 27 A Q H <4 S+ 0 0 2 -3,-1.5 398,-2.4 1,-0.1 -1,-0.3 0.717 123.9 8.2 -83.4 -24.3 9.2 18.4 30.8 18 28 A I H << S+ 0 0 1 -3,-1.3 36,-1.7 -4,-0.9 34,-1.5 0.664 106.8 79.8-125.8 -39.8 10.9 21.9 30.6 19 29 A E < - 0 0 8 -4,-2.2 36,-2.5 -5,-0.3 37,-0.4 0.859 65.0-169.7 -43.1 -54.4 9.1 24.4 32.9 20 30 A G + 0 0 2 28,-0.4 30,-0.3 -4,-0.4 29,-0.2 -0.278 57.1 78.2 74.2 177.5 10.6 23.5 36.3 21 31 A S > + 0 0 35 28,-3.2 3,-1.3 1,-0.1 6,-0.1 0.813 53.2 177.5 60.3 43.9 9.0 25.1 39.3 22 32 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.503 76.0 37.1 -59.6 -7.5 6.0 22.8 39.5 23 33 A L T > S+ 0 0 88 26,-0.1 3,-0.6 6,-0.1 4,-0.2 0.473 86.1 118.7-124.8 -14.4 4.6 24.5 42.7 24 34 A A G X S+ 0 0 37 -3,-1.3 3,-2.7 1,-0.2 69,-0.0 0.047 71.8 13.3 -59.7 165.8 5.3 28.2 42.4 25 35 A D G 3 S- 0 0 112 1,-0.3 -1,-0.2 68,-0.1 68,-0.2 0.700 138.1 -43.8 36.0 42.1 2.8 31.1 42.3 26 36 A G G < S+ 0 0 49 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.388 90.2 157.1 95.9 -0.3 -0.1 29.0 43.5 27 37 A A < - 0 0 12 -3,-2.7 54,-0.3 -4,-0.2 -1,-0.2 -0.260 33.7-134.5 -60.8 139.4 0.3 25.8 41.4 28 38 A G - 0 0 13 52,-2.9 2,-0.4 1,-0.1 57,-0.1 -0.161 33.3 -85.7 -77.8-178.2 -1.2 22.5 42.6 29 39 A M - 0 0 79 55,-0.3 94,-4.7 -6,-0.0 95,-0.5 -0.802 42.2-147.1 -93.7 137.5 0.7 19.2 42.6 30 40 A S B > -J 122 0C 6 -2,-0.4 4,-2.1 92,-0.3 5,-0.1 -0.567 25.8-113.1 -98.3 163.1 0.6 17.1 39.5 31 41 A I H > S+ 0 0 11 90,-2.6 4,-1.4 1,-0.2 5,-0.1 0.753 121.0 54.7 -67.5 -21.5 0.5 13.4 39.1 32 42 A W H > S+ 0 0 3 89,-0.2 4,-2.3 2,-0.2 5,-0.3 0.873 103.0 54.3 -78.9 -33.0 3.9 13.7 37.6 33 43 A H H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.983 111.4 46.8 -53.9 -58.5 5.2 15.6 40.5 34 44 A T H < S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.6 44.9 -44.2 -46.0 4.1 12.8 42.7 35 45 A F H >< S+ 0 0 12 -4,-1.4 3,-1.2 1,-0.2 6,-0.3 0.862 111.5 47.6 -84.9 -40.7 5.6 10.0 40.6 36 46 A S H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 6,-0.2 0.801 108.5 58.5 -71.5 -30.3 9.0 11.4 39.8 37 47 A H T 3< S+ 0 0 90 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.374 93.2 87.2 -81.9 2.7 9.4 12.2 43.5 38 48 A T S X S- 0 0 71 -3,-1.2 3,-1.3 -5,-0.1 4,-0.3 -0.839 89.8-101.2-100.4 142.6 8.8 8.6 44.4 39 49 A P T 3 S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 602,-0.1 -0.343 101.0 23.7 -56.2 131.2 11.7 6.0 44.6 40 50 A G T 3 S+ 0 0 41 2,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.265 95.2 92.8 106.7 -6.8 11.8 3.7 41.5 41 51 A N S < S+ 0 0 27 -3,-1.3 2,-0.4 -6,-0.3 -5,-0.1 0.746 76.8 39.4 -96.6 -22.8 10.2 5.6 38.9 42 52 A V S > S- 0 0 11 -4,-0.3 3,-3.1 -6,-0.2 377,-0.2 -0.998 86.8 -99.1-145.2 130.3 12.6 7.6 36.9 43 53 A K T 3 S+ 0 0 48 375,-2.5 -1,-0.1 -2,-0.4 376,-0.1 0.583 111.1 3.8 -21.3 -70.0 16.2 6.8 35.6 44 54 A N T 3 S- 0 0 32 721,-0.1 -1,-0.3 -3,-0.1 721,-0.2 0.073 116.8 -83.0-116.1 28.2 18.5 8.4 38.1 45 55 A G S < S+ 0 0 30 -3,-3.1 -2,-0.2 1,-0.2 718,-0.1 0.374 77.9 164.5 83.1 -1.2 15.9 9.7 40.5 46 56 A D - 0 0 24 -4,-0.1 2,-0.2 372,-0.1 -1,-0.2 -0.027 14.0-172.9 -39.9 143.8 15.4 12.7 38.2 47 57 A T - 0 0 28 -3,-0.1 4,-0.3 -10,-0.1 3,-0.2 -0.782 36.2-109.4-132.8 178.8 12.3 14.8 38.8 48 58 A G S S+ 0 0 1 -2,-0.2 -28,-0.4 -16,-0.2 4,-0.1 0.196 82.6 109.1 -98.0 18.4 10.6 17.8 37.0 49 59 A D S S+ 0 0 60 -29,-0.2 -28,-3.2 -28,-0.1 -1,-0.2 0.942 97.7 2.7 -57.5 -59.8 11.5 20.3 39.7 50 60 A V S > S+ 0 0 63 -30,-0.3 3,-2.3 -3,-0.2 2,-0.2 0.904 86.1 141.0 -95.3 -64.4 14.1 22.3 37.9 51 61 A A T 3 S- 0 0 2 -4,-0.3 -33,-0.2 1,-0.3 -32,-0.1 -0.394 87.3 -16.4 60.8-116.4 14.3 20.8 34.3 52 62 A C T 3 S- 0 0 0 -34,-1.5 -1,-0.3 -2,-0.2 -33,-0.2 0.418 78.7-135.0-102.1 -0.1 14.8 23.6 31.8 53 63 A D X> + 0 0 29 -3,-2.3 3,-3.1 -35,-0.4 4,-1.2 0.668 51.2 154.0 58.2 17.1 13.7 26.3 34.2 54 64 A H H 3> + 0 0 16 -36,-1.7 4,-0.7 1,-0.3 -35,-0.2 0.738 59.3 72.9 -51.5 -26.4 11.7 27.5 31.3 55 65 A Y H 34 S+ 0 0 23 -36,-2.5 -1,-0.3 -37,-0.3 3,-0.2 0.825 109.6 30.1 -54.1 -39.5 9.3 29.1 33.8 56 66 A N H <4 S+ 0 0 112 -3,-3.1 -1,-0.3 -37,-0.4 -2,-0.2 0.604 127.0 46.1 -89.6 -18.0 12.0 31.7 34.4 57 67 A R H X + 0 0 90 -4,-1.2 4,-2.8 -38,-0.2 -2,-0.2 0.058 66.8 114.0-123.8 24.4 13.4 31.6 30.9 58 68 A W H X S+ 0 0 62 -4,-0.7 4,-3.2 2,-0.2 5,-0.3 0.885 78.7 55.5 -68.2 -36.9 10.6 31.7 28.5 59 69 A K H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.969 111.5 44.0 -56.6 -53.0 11.5 35.1 27.2 60 70 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 116.3 49.8 -53.0 -49.8 15.0 33.8 26.3 61 71 A D H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.3 3,-0.2 0.948 107.4 48.8 -62.4 -56.8 13.5 30.6 24.9 62 72 A I H X S+ 0 0 16 -4,-3.2 4,-2.4 1,-0.2 -1,-0.3 0.887 111.7 54.9 -45.2 -40.3 10.9 32.2 22.6 63 73 A E H X S+ 0 0 111 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.928 100.9 55.3 -61.5 -45.1 13.8 34.4 21.5 64 74 A I H X S+ 0 0 33 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.857 111.0 47.3 -56.8 -32.3 15.9 31.2 20.6 65 75 A I H X>S+ 0 0 12 -4,-1.9 5,-1.4 2,-0.2 4,-1.0 0.920 109.1 54.0 -69.4 -44.0 12.8 30.4 18.4 66 76 A E H ><5S+ 0 0 123 -4,-2.4 3,-1.1 2,-0.2 -2,-0.2 0.935 108.1 47.3 -58.2 -52.9 12.7 33.9 16.9 67 77 A K H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.929 112.0 50.7 -53.4 -48.2 16.4 33.9 15.7 68 78 A L H 3<5S- 0 0 27 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.726 106.6-140.6 -62.2 -19.6 15.8 30.4 14.3 69 79 A G T <<5 + 0 0 46 -3,-1.1 2,-0.7 -4,-1.0 -3,-0.2 0.918 33.9 172.2 57.7 51.5 12.7 32.1 12.6 70 80 A V < - 0 0 10 -5,-1.4 -1,-0.2 1,-0.1 -59,-0.1 -0.795 32.4-139.4 -97.9 110.8 10.5 29.1 13.1 71 81 A K S S+ 0 0 48 -2,-0.7 40,-2.3 39,-0.1 2,-0.3 0.594 74.1 32.2 -49.2 -20.7 6.9 29.9 12.2 72 82 A A E -cd 10 111B 1 -63,-1.8 -61,-1.2 38,-0.3 2,-0.4 -0.994 52.6-157.0-147.4 149.2 5.2 28.0 15.1 73 83 A Y E -cd 11 112B 20 38,-3.1 40,-3.8 -2,-0.3 2,-0.5 -0.965 6.5-164.3-119.4 129.2 5.3 26.9 18.8 74 84 A R E +cd 12 113B 0 -63,-2.6 -61,-2.5 -2,-0.4 2,-0.3 -0.965 27.7 151.3-108.2 130.2 3.4 24.0 20.4 75 85 A F E - d 0 114B 15 38,-2.3 40,-2.4 -2,-0.5 2,-0.2 -0.967 34.9-113.6-155.8 157.7 3.3 24.0 24.1 76 86 A S E - d 0 115B 2 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.601 11.4-132.7 -95.5 153.3 1.1 22.9 27.1 77 87 A I - 0 0 9 38,-1.7 2,-0.6 -2,-0.2 41,-0.4 -0.924 31.0-128.5 -89.7 129.7 -0.9 24.6 29.8 78 88 A S >> - 0 0 10 -2,-0.5 4,-1.2 1,-0.2 3,-0.9 -0.728 14.9-147.6 -72.5 120.0 -0.1 22.9 33.1 79 89 A W H >> S+ 0 0 2 -2,-0.6 4,-2.9 41,-0.3 3,-1.2 0.950 93.6 50.3 -60.9 -49.6 -3.4 22.0 34.6 80 90 A P H 34 S+ 0 0 3 0, 0.0 -52,-2.9 0, 0.0 -1,-0.3 0.685 105.7 59.2 -70.6 -10.9 -2.5 22.4 38.3 81 91 A R H <4 S+ 0 0 7 -3,-0.9 13,-0.4 -54,-0.3 -2,-0.2 0.786 114.2 36.8 -75.5 -29.6 -1.1 25.8 37.5 82 92 A I H << S+ 0 0 0 -4,-1.2 9,-1.9 -3,-1.2 -3,-0.1 0.855 138.4 12.9 -89.6 -34.8 -4.5 26.9 36.2 83 93 A L >< - 0 0 12 -4,-2.9 3,-2.4 7,-0.2 -1,-0.2 -0.693 65.5-179.8-142.7 87.3 -6.7 25.0 38.7 84 94 A P T 3 S+ 0 0 36 0, 0.0 40,-0.4 0, 0.0 -55,-0.3 0.866 90.3 47.9 -65.4 -38.0 -4.7 23.7 41.7 85 95 A E T 3 S- 0 0 53 4,-0.4 2,-0.7 2,-0.2 5,-0.1 0.266 116.5-123.8 -78.8 13.0 -7.7 22.2 43.4 86 96 A G S < S+ 0 0 3 -3,-2.4 2,-0.3 -7,-0.1 -1,-0.1 0.005 87.2 42.7 73.1 -28.5 -8.2 20.8 39.8 87 97 A T S S+ 0 0 88 -2,-0.7 2,-0.8 2,-0.1 -2,-0.2 -0.961 104.9 9.1-148.9 147.4 -11.6 22.4 39.9 88 98 A G S S+ 0 0 64 -2,-0.3 2,-0.4 -4,-0.1 -2,-0.1 -0.697 98.3 62.9 92.1-106.4 -13.3 25.6 41.0 89 99 A R S S- 0 0 64 -2,-0.8 -4,-0.4 1,-0.1 2,-0.4 -0.470 73.3-147.5 -66.5 112.6 -11.0 28.5 42.1 90 100 A V - 0 0 61 -2,-0.4 2,-0.4 -7,-0.1 -7,-0.2 -0.708 12.3-126.8 -84.6 129.1 -8.9 29.5 39.0 91 101 A N > - 0 0 28 -9,-1.9 4,-1.4 -2,-0.4 5,-0.1 -0.616 14.0-163.9 -76.0 127.3 -5.3 30.8 39.7 92 102 A Q H > S+ 0 0 133 -2,-0.4 4,-3.0 2,-0.2 -1,-0.1 0.786 90.0 62.4 -80.6 -29.7 -4.5 34.1 38.2 93 103 A K H > S+ 0 0 25 -68,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 104.0 53.5 -59.2 -37.6 -0.7 33.6 38.6 94 104 A G H >> S+ 0 0 1 -13,-0.4 4,-1.6 2,-0.2 3,-0.5 0.993 111.8 39.8 -59.3 -69.5 -1.2 30.7 36.3 95 105 A L H 3X>S+ 0 0 28 -4,-1.4 4,-2.9 1,-0.2 5,-0.5 0.896 108.6 64.7 -40.8 -52.5 -2.9 32.6 33.5 96 106 A D H 3X5S+ 0 0 55 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.892 104.9 45.3 -39.7 -55.6 -0.5 35.5 34.1 97 107 A F H S+ 0 0 4 -4,-3.0 5,-1.9 -5,-0.3 4,-0.8 0.909 113.9 42.3 -43.4 -52.5 4.5 34.7 20.7 106 116 A L H <5S+ 0 0 64 -4,-2.7 3,-0.3 3,-0.2 -1,-0.2 0.852 110.4 57.6 -69.0 -35.5 2.0 36.8 18.7 107 117 A E H <5S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.934 114.0 37.3 -57.6 -49.3 4.1 40.0 19.1 108 118 A K H <5S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.492 120.4-109.7 -85.7 -5.1 7.2 38.4 17.5 109 119 A G T <5 + 0 0 57 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.459 67.6 141.2 95.4 2.9 5.0 36.5 15.0 110 120 A I < - 0 0 17 -5,-1.9 -1,-0.3 -6,-0.2 -38,-0.3 -0.566 50.4-123.3 -78.2 140.9 5.3 32.9 16.1 111 121 A T E -d 72 0B 45 -40,-2.3 -38,-3.1 -2,-0.2 2,-0.5 -0.746 22.0-137.9 -89.4 128.0 2.1 30.8 15.9 112 122 A P E -d 73 0B 8 0, 0.0 45,-0.8 0, 0.0 2,-0.6 -0.731 18.7-175.8 -92.9 122.2 0.9 29.1 19.1 113 123 A F E -de 74 157B 0 -40,-3.8 -38,-2.3 -2,-0.5 2,-0.4 -0.941 19.2-157.8-104.4 109.9 -0.5 25.5 19.3 114 124 A V E -de 75 158B 9 43,-1.2 45,-2.4 -2,-0.6 2,-0.8 -0.727 9.8-148.3 -94.1 132.4 -1.7 24.9 22.9 115 125 A T E -de 76 159B 0 -40,-2.4 -38,-1.7 -2,-0.4 3,-0.3 -0.871 3.2-161.3 -94.0 108.1 -2.0 21.4 24.3 116 126 A I E S+ 0 0 5 43,-2.5 2,-0.3 -2,-0.8 44,-0.2 0.833 80.8 26.5 -53.9 -33.7 -4.8 21.5 26.8 117 127 A F E + e 0 161B 5 43,-2.0 45,-1.7 42,-0.5 -1,-0.2 -0.847 53.9 161.7-143.4 108.5 -3.4 18.2 28.3 118 128 A H S S- 0 0 3 -41,-0.4 -102,-0.3 -2,-0.3 -42,-0.1 -0.384 74.1 -72.6-122.9 57.7 0.1 16.8 28.4 119 129 A W S S+ 0 0 15 43,-0.1 2,-1.1 -2,-0.1 -88,-0.1 0.230 95.3 116.1 85.2 -9.2 0.1 14.2 31.2 120 130 A D - 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0 0 37 -2,-1.2 -90,-1.1 -42,-0.1 2,-0.7 -0.044 43.8-103.1 -58.8 164.4 76.4 6.6 12.8 1036 132 C P B >> -M 944 0P 0 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.920 18.2-143.1 -88.4 120.7 79.5 8.0 11.1 1037 133 C F H 3> S+ 0 0 23 -94,-1.6 4,-0.5 -2,-0.7 3,-0.4 0.680 103.5 73.7 -50.0 -23.0 82.5 5.9 12.0 1038 134 C A H >4 S+ 0 0 42 -95,-0.9 3,-1.1 -40,-0.3 -1,-0.3 0.912 94.1 48.3 -45.5 -52.0 84.0 9.4 11.9 1039 135 C L H X4>S+ 0 0 15 -3,-2.7 5,-2.1 1,-0.3 3,-0.6 0.537 97.2 68.6 -78.9 -7.4 82.1 10.1 15.3 1040 136 C Q H ><5S+ 0 0 54 -4,-0.5 3,-2.1 -3,-0.4 -1,-0.3 0.729 81.9 77.7 -74.9 -23.9 83.4 6.8 16.8 1041 137 C L T <<5S+ 0 0 95 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.599 102.8 36.7 -67.8 -12.1 86.8 8.5 16.8 1042 138 C K T < 5S- 0 0 49 -3,-0.6 -1,-0.3 -4,-0.1 5,-0.1 -0.379 135.5 -86.6-126.2 53.1 85.6 10.4 19.8 1043 139 C G T X 5 - 0 0 32 -3,-2.1 3,-2.6 3,-0.1 4,-0.3 0.656 53.7-124.9 57.4 27.6 83.6 7.5 21.3 1044 140 C G G > > + 0 0 36 1,-0.1 3,-0.9 2,-0.1 4,-0.7 0.127 62.9 101.5-118.8 19.8 78.9 16.4 23.6 1050 146 C I H <>> + 0 0 17 -3,-1.5 4,-2.5 1,-0.3 5,-0.5 0.721 61.6 84.4 -77.0 -20.0 76.6 14.6 21.1 1051 147 C A H 345S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.502 99.4 40.7 -49.4 -5.2 73.9 17.1 22.1 1052 148 C D H <>5S+ 0 0 96 -3,-0.9 4,-2.2 3,-0.1 -1,-0.2 0.701 107.6 54.1-121.2 -41.3 75.8 19.2 19.6 1053 149 C W H X5S+ 0 0 43 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.931 119.3 39.0 -61.3 -47.1 76.6 16.8 16.7 1054 150 C F H X5S+ 0 0 14 -4,-2.5 4,-4.0 2,-0.2 5,-0.2 0.918 109.1 61.5 -65.5 -46.4 72.9 16.0 16.6 1055 151 C A H >X S+ 0 0 31 -4,-3.6 4,-1.5 1,-0.2 3,-0.5 0.931 115.7 59.7 -43.6 -50.9 68.3 17.4 8.1 1062 158 C F H 3X S+ 0 0 26 -4,-4.6 4,-1.9 1,-0.2 3,-0.3 0.867 108.3 35.4 -48.3 -61.4 65.6 19.9 9.1 1063 159 C E H 3< S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.645 112.0 60.4 -80.8 -14.2 66.0 22.7 6.5 1064 160 C N H << S+ 0 0 34 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.869 130.4 5.8 -72.2 -39.2 66.9 20.4 3.6 1065 161 C F H X S+ 0 0 37 -4,-1.5 4,-1.3 -3,-0.3 3,-0.3 0.259 100.2 100.7-131.5 8.0 63.5 18.5 3.8 1066 162 C G T < S+ 0 0 22 -4,-1.9 59,-0.2 -5,-0.2 58,-0.2 0.601 74.9 65.4 -76.7 -13.3 61.4 20.3 6.4 1067 163 C D T 4 S+ 0 0 136 -4,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.901 123.6 15.7 -67.8 -42.5 59.4 22.1 3.8 1068 164 C R T 4 S+ 0 0 42 -3,-0.3 2,-0.4 1,-0.2 -2,-0.2 0.887 115.2 66.1 -91.6 -81.1 58.0 18.7 2.7 1069 165 C V < + 0 0 15 -4,-1.3 -1,-0.2 1,-0.2 -42,-0.1 -0.261 58.2 166.7 -51.9 100.7 58.7 16.1 5.5 1070 166 C K + 0 0 36 -2,-0.4 57,-0.9 -44,-0.3 2,-0.4 0.349 58.2 54.0-110.4 2.4 56.5 17.6 8.2 1071 167 C N B S+q 1127 0S 33 -45,-0.4 -43,-0.3 55,-0.2 2,-0.2 -0.993 73.0 165.8-130.9 131.0 56.4 14.6 10.7 1072 168 C W - 0 0 17 55,-2.5 2,-0.3 -2,-0.4 57,-0.2 -0.850 26.2-136.6-143.4 174.5 59.7 13.1 11.9 1073 169 C I E -p 1029 0R 12 -45,-3.0 -43,-2.2 -2,-0.2 57,-0.2 -0.928 1.9-157.0-133.0 154.6 61.6 10.9 14.4 1074 170 C T E S+ 0 0 10 55,-1.3 -43,-0.5 -2,-0.3 2,-0.5 0.849 72.2 6.2 -93.8 -80.3 64.9 11.1 16.4 1075 171 C F E -p 1031 0R 20 -45,-0.1 56,-1.4 -43,-0.1 2,-0.8 -0.920 58.5-136.4-118.2 130.0 66.2 7.6 17.4 1076 172 C N B S-i 1131 0O 12 -45,-1.9 56,-0.1 -2,-0.5 4,-0.1 -0.742 87.2 -21.6 -74.4 111.8 65.0 4.1 16.4 1077 173 C E > - 0 0 18 -2,-0.8 3,-1.1 54,-0.6 -1,-0.2 0.962 63.1-157.2 53.0 76.5 65.1 2.0 19.6 1078 174 C P T >> S+ 0 0 6 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.851 91.7 60.8 -45.0 -41.9 67.5 3.9 22.0 1079 175 C L H >> S+ 0 0 15 1,-0.3 3,-1.5 2,-0.2 4,-1.4 0.848 90.7 68.4 -60.3 -33.8 68.1 0.6 24.0 1080 176 C C H <4 S+ 0 0 25 -3,-1.1 -1,-0.3 1,-0.3 -4,-0.1 -0.019 105.3 43.2 -77.6 38.9 69.5 -1.0 20.8 1081 177 C S H <4 S+ 0 0 24 -2,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.214 118.3 44.4-157.1 -20.7 72.4 1.3 21.2 1082 178 C A H S+ 0 0 34 -4,-1.4 4,-1.6 1,-0.2 5,-1.5 0.970 125.8 37.7 -66.1 -65.4 72.5 -2.9 25.6 1084 180 C P H 45S+ 0 0 20 0, 0.0 6,-5.0 0, 0.0 7,-1.6 0.763 126.5 38.0 -60.9 -21.9 73.4 -4.9 22.5 1085 181 C G H 45S+ 0 0 0 -6,-0.3 9,-1.2 4,-0.3 10,-0.3 0.915 134.7 13.7-100.2 -54.4 76.2 -2.4 21.5 1086 182 C Y H <5S+ 0 0 32 -4,-2.1 11,-1.3 -5,-0.2 -3,-0.2 0.164 136.7 41.7-108.7 11.0 78.0 -1.2 24.7 1087 183 C G T <5S+ 0 0 15 -4,-1.6 -4,-0.2 -5,-0.2 10,-0.1 0.522 129.3 12.3-114.6 -93.7 76.4 -4.0 26.8 1088 184 C S S S+ 0 0 61 -13,-0.1 3,-1.9 2,-0.1 5,-0.1 0.845 109.3 65.6 -88.6 -50.4 78.6 1.4 33.2 1100 196 C E G >> S+ 0 0 55 1,-0.3 4,-3.1 2,-0.2 3,-1.9 0.645 88.0 57.9 -52.3 -40.6 78.5 2.4 29.5 1101 197 C P G 34 S+ 0 0 3 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.806 104.7 57.8 -65.7 -18.3 75.0 1.3 28.2 1102 198 C W G <4 S+ 0 0 3 -3,-1.9 -2,-0.2 3,-0.2 -20,-0.1 0.279 118.6 29.1 -91.6 9.0 73.5 3.5 30.9 1103 199 C T T <> S+ 0 0 44 -3,-1.9 4,-4.2 80,-0.1 5,-0.3 0.524 118.2 52.2-129.7 -50.2 75.3 6.6 29.6 1104 200 C V T < S+ 0 0 0 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.720 119.2 43.9 -54.3 -21.7 75.6 5.7 26.0 1105 201 C G T > S+ 0 0 0 -5,-0.5 4,-0.8 -4,-0.3 -1,-0.2 0.728 112.3 51.7 -90.1 -29.3 71.9 5.3 26.7 1106 202 C H H > S+ 0 0 17 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.885 105.7 53.1 -71.7 -41.9 71.7 8.5 28.7 1107 203 C N H >X S+ 0 0 16 -4,-4.2 4,-2.9 -62,-0.3 3,-0.7 0.864 101.7 60.3 -62.8 -36.6 73.3 10.6 26.0 1108 204 C I H 3> S+ 0 0 23 -4,-0.4 4,-2.0 -5,-0.3 5,-0.4 0.884 103.3 53.1 -55.9 -35.7 70.7 9.3 23.6 1109 205 C L H 3< S+ 0 0 24 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.721 113.9 40.1 -77.9 -19.2 68.1 10.9 25.9 1110 206 C V H > S+ 0 0 1 -5,-0.4 3,-0.8 -6,-0.3 4,-0.7 0.951 107.9 34.0 -60.1 -53.6 66.6 16.1 23.7 1114 210 C R H >X S+ 0 0 29 -4,-2.6 4,-1.0 1,-0.2 3,-0.7 0.882 113.2 60.7 -68.9 -41.0 68.5 18.8 21.9 1115 211 C A H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.235 102.1 54.7 -76.8 14.8 67.3 17.7 18.4 1116 212 C V H <> S+ 0 0 12 -3,-0.8 4,-0.6 77,-0.2 3,-0.2 0.647 98.1 57.2-115.2 -30.7 63.7 18.3 19.4 1117 213 C K H X< S+ 0 0 68 -3,-0.7 3,-0.5 -4,-0.7 4,-0.2 0.827 102.1 58.5 -70.3 -31.8 63.8 22.0 20.6 1118 214 C V G >< S+ 0 0 17 -4,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.754 96.9 60.3 -70.8 -27.3 65.2 23.0 17.1 1119 215 C F G >> S+ 0 0 16 -3,-0.2 4,-1.8 1,-0.2 3,-0.9 0.776 97.4 61.0 -68.7 -28.4 62.1 21.6 15.3 1120 216 C R G << S+ 0 0 88 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.575 114.2 34.8 -74.1 -10.8 60.1 24.1 17.4 1121 217 C E G <4 S+ 0 0 83 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 -0.074 126.8 35.1-134.1 34.1 62.0 27.0 15.8 1122 218 C T T <4 S+ 0 0 38 -3,-0.9 2,-0.5 1,-0.3 -3,-0.2 0.371 106.7 61.9-149.7 -27.6 62.6 25.6 12.2 1123 219 C V < - 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0 0 1 70,-0.2 2,-0.1 -2,-0.2 25,-0.1 -0.644 31.0-143.3 166.0 117.8 59.4 -2.6 24.3 1135 231 C D - 0 0 13 -2,-0.2 73,-0.3 1,-0.1 23,-0.1 -0.387 34.3 -99.9 -86.7 167.4 57.8 -6.0 24.5 1136 232 C F E -r 1208 0T 23 71,-1.4 73,-1.1 -2,-0.1 2,-0.4 -0.287 30.9-132.4 -90.1-176.1 55.0 -6.8 26.9 1137 233 C T E +r 1209 0T 12 71,-0.2 73,-0.2 117,-0.1 14,-0.1 -0.954 20.3 176.8-146.6 115.6 55.2 -8.5 30.3 1138 234 C Y E -r 1210 0T 4 71,-4.1 73,-3.7 -2,-0.4 2,-0.2 -0.925 38.1-103.8-116.6 146.1 53.2 -11.3 31.9 1139 235 C P E -r 1211 0T 20 0, 0.0 3,-0.5 0, 0.0 73,-0.2 -0.466 16.2-139.6 -67.2 134.9 54.0 -12.8 35.4 1140 236 C W S S+ 0 0 48 71,-4.5 94,-0.8 1,-0.3 2,-0.5 0.929 103.6 15.6 -55.1 -51.7 55.7 -16.3 35.6 1141 237 C D S > S- 0 0 25 70,-0.3 3,-1.4 3,-0.2 6,-0.4 -0.870 75.7-163.4-125.6 103.7 53.4 -17.3 38.4 1142 238 C A T 3 S+ 0 0 7 -2,-0.5 6,-0.2 -3,-0.5 -1,-0.1 0.727 87.3 65.2 -55.8 -25.5 50.5 -14.8 38.5 1143 239 C A T 3 S+ 0 0 56 1,-0.1 -1,-0.3 -3,-0.1 3,-0.0 0.931 85.8 76.1 -66.2 -44.5 49.8 -15.9 42.0 1144 240 C D S X> S- 0 0 47 -3,-1.4 3,-2.6 1,-0.2 4,-1.0 -0.555 73.2-150.3 -76.8 108.7 53.0 -14.7 43.4 1145 241 C P H 3> S+ 0 0 98 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.790 93.6 68.7 -49.4 -34.7 52.8 -10.8 43.8 1146 242 C A H 3> S+ 0 0 28 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.865 98.4 49.7 -48.6 -40.7 56.6 -10.6 43.3 1147 243 C D H <> S+ 0 0 4 -3,-2.6 4,-3.4 -6,-0.4 -1,-0.2 0.907 111.2 47.6 -78.2 -34.6 56.0 -11.6 39.7 1148 244 C K H X S+ 0 0 49 -4,-1.0 4,-2.3 -7,-0.2 -2,-0.2 0.960 116.4 44.9 -57.0 -49.7 53.3 -9.0 39.3 1149 245 C E H X S+ 0 0 50 -4,-4.2 4,-1.7 1,-0.2 -2,-0.3 0.931 116.0 51.3 -50.6 -43.8 55.9 -6.6 41.0 1150 246 C A H X S+ 0 0 1 -4,-3.4 4,-3.0 -5,-0.3 -2,-0.2 0.873 105.8 47.8 -73.4 -41.1 58.3 -8.2 38.7 1151 247 C A H X S+ 0 0 8 -4,-3.4 4,-2.0 1,-0.2 5,-0.2 0.980 109.0 56.3 -62.2 -51.5 56.6 -7.8 35.3 1152 248 C E H X S+ 0 0 91 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.831 111.8 45.9 -43.9 -43.6 55.9 -4.1 36.2 1153 249 C R H >X S+ 0 0 80 -4,-1.7 4,-1.6 -5,-0.2 3,-1.0 0.987 102.9 59.3 -64.8 -66.1 59.6 -3.8 36.7 1154 250 C R H 3< S+ 0 0 34 -4,-3.0 4,-0.4 1,-0.3 3,-0.3 0.813 106.1 51.3 -31.2 -50.3 60.8 -5.6 33.5 1155 251 C L H >X>S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 3,-2.1 0.931 105.1 55.1 -57.7 -48.1 58.9 -3.0 31.4 1156 252 C E H <<>S+ 0 0 29 -4,-1.2 5,-0.8 -3,-1.0 -1,-0.2 0.825 111.3 45.1 -54.7 -35.8 60.6 -0.1 33.3 1157 253 C F T 3<5S+ 0 0 9 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.447 119.2 44.8 -82.6 -2.5 63.9 -1.7 32.3 1158 254 C F T <45S- 0 0 34 -3,-2.1 -2,-0.2 -4,-0.4 -79,-0.2 0.696 138.8 -16.4-106.4 -27.1 62.6 -2.2 28.7 1159 255 C T T >X5S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.1 3,-1.1 0.584 120.5 68.6-151.6 -48.8 60.9 1.1 27.9 1160 256 C A H 3> S+ 0 0 17 -3,-1.1 4,-1.6 2,-0.1 -2,-0.2 0.959 127.8 52.9 -84.7 -53.8 63.6 6.2 28.1 1163 259 C A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.4 0.874 98.8 60.3 -48.5 -59.3 59.9 7.2 28.2 1164 260 C D H X>S+ 0 0 11 -4,-1.2 4,-3.4 1,-0.2 5,-1.2 0.841 107.1 47.6 -44.0 -53.0 59.5 8.2 31.9 1165 261 C P H >5S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 31,-0.3 0.985 111.5 50.3 -47.1 -63.1 62.1 10.9 31.5 1166 262 C I H <5S+ 0 0 12 -4,-1.6 30,-3.4 1,-0.2 31,-0.6 0.906 127.4 22.8 -47.6 -53.0 60.6 12.2 28.3 1167 263 C Y H <5S+ 0 0 61 -4,-2.3 -1,-0.2 28,-0.2 -3,-0.2 0.738 142.6 21.6 -87.1 -23.8 57.0 12.4 29.8 1168 264 C L H <5S- 0 0 66 -4,-3.4 -2,-0.2 -5,-0.4 -4,-0.1 0.626 101.6-117.9-118.2 -22.1 57.8 12.6 33.6 1169 265 C G S <> - 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0 0 36 -2,-1.2 -3,-0.0 1,-0.1 5,-0.0 0.198 10.4-110.0 -42.6 149.5 70.8 14.4 34.8 1187 283 C T >> - 0 0 68 1,-0.1 3,-3.1 3,-0.0 4,-1.6 -0.467 23.7-105.5 -89.1 149.7 70.8 18.2 35.2 1188 284 C P H 3> S+ 0 0 109 0, 0.0 4,-0.7 0, 0.0 5,-0.2 0.629 117.1 70.1 -37.1 -27.8 68.0 20.9 35.0 1189 285 C E H 3> S+ 0 0 75 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.889 112.6 29.9 -60.0 -37.4 69.6 21.9 31.6 1190 286 C E H <> S+ 0 0 47 -3,-3.1 4,-1.7 2,-0.2 5,-0.5 0.786 104.2 74.4 -93.9 -32.3 68.2 18.6 30.4 1191 287 C R H < S+ 0 0 57 -4,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.685 111.3 35.3 -51.9 -19.4 65.2 18.4 32.7 1192 288 C A H < S+ 0 0 80 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.697 113.2 57.5-101.2 -32.6 63.8 21.1 30.3 1193 289 C L H < S+ 0 0 39 -4,-0.6 -2,-0.2 -5,-0.2 -77,-0.2 0.552 123.0 25.5 -76.2 -7.3 65.5 19.6 27.2 1194 290 C V S >< S+ 0 0 18 -4,-1.7 3,-1.8 -29,-0.1 2,-0.4 0.622 91.2 103.4-123.2 -32.5 63.7 16.3 27.7 1195 291 C H T 3 S- 0 0 104 -5,-0.5 -28,-0.2 -4,-0.4 -29,-0.2 -0.462 107.9 -6.0 -69.2 118.4 60.5 17.0 29.7 1196 292 C G T 3 S+ 0 0 55 -30,-3.4 -1,-0.3 -2,-0.4 -29,-0.2 0.903 97.4 143.5 60.3 44.5 57.6 16.9 27.4 1197 293 C S < + 0 0 18 -3,-1.8 2,-0.3 -31,-0.6 -2,-0.1 0.960 44.9 64.8 -80.2 -54.5 60.1 16.5 24.5 1198 294 C N - 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