==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-01 1JW0 . COMPND 2 MOLECULE: CEPHALOSPORIN ACYLASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR Y.KIM,W.G.J.HOL . 672 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 46 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 3 0 1 2 2 1 2 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 6 4 4 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 0 1 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 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 Q 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.8 34.5 18.6 10.1 2 8 A A - 0 0 69 1,-0.1 3,-0.1 616,-0.0 0, 0.0 -0.734 360.0 -95.8 -96.1 146.0 33.9 19.0 13.8 3 9 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.112 52.9 -85.5 -55.0 155.6 35.5 16.6 16.4 4 10 A I - 0 0 55 1,-0.1 211,-0.1 211,-0.1 0, 0.0 -0.395 63.3 -81.7 -64.3 142.1 33.4 13.7 17.6 5 11 A A - 0 0 98 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.104 51.5-118.1 -45.2 136.3 31.2 14.7 20.5 6 12 A A - 0 0 71 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.323 27.2-104.9 -75.4 161.1 33.0 14.6 23.8 7 13 A Y - 0 0 64 186,-0.2 189,-0.1 -2,-0.1 -1,-0.1 -0.708 22.4-150.9 -89.1 139.7 32.0 12.3 26.6 8 14 A K - 0 0 123 -2,-0.4 2,-0.1 187,-0.1 19,-0.1 -0.829 15.7-148.1-110.6 90.9 30.2 13.9 29.5 9 15 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.390 12.7-169.6 -61.7 129.1 31.2 11.7 32.5 10 16 A R + 0 0 195 1,-0.1 2,-0.3 -2,-0.1 17,-0.1 0.312 69.2 25.3-102.0 7.1 28.3 11.6 35.1 11 17 A S S S- 0 0 56 2,-0.1 2,-0.6 15,-0.0 -1,-0.1 -0.967 83.4-102.7-164.9 153.0 30.3 9.9 37.8 12 18 A N + 0 0 21 659,-0.3 659,-1.8 -2,-0.3 2,-0.3 -0.713 57.7 136.7 -85.7 121.1 33.9 9.5 39.0 13 19 A E E -AB 25 670A 25 12,-2.0 12,-2.9 -2,-0.6 2,-0.5 -0.989 46.1-132.6-160.0 155.1 35.3 6.1 38.2 14 20 A I E -AB 24 669A 0 655,-1.5 655,-2.3 -2,-0.3 2,-0.8 -0.967 15.4-161.0-114.6 122.2 38.5 4.5 36.8 15 21 A L E -AB 23 668A 1 8,-2.6 8,-1.0 -2,-0.5 2,-0.4 -0.887 12.0-160.7-105.9 104.9 38.1 1.9 34.1 16 22 A W E -AB 22 667A 7 651,-2.7 650,-3.4 -2,-0.8 651,-1.5 -0.708 5.8-148.5 -87.0 132.4 41.2 -0.2 33.9 17 23 A D E > - B 0 665A 17 4,-2.0 3,-2.0 -2,-0.4 648,-0.2 -0.295 38.8 -80.9 -90.8 179.8 41.9 -2.2 30.8 18 24 A G T 3 S+ 0 0 38 646,-0.6 647,-0.1 1,-0.3 -1,-0.1 0.584 126.4 51.0 -57.7 -14.0 43.6 -5.5 30.4 19 25 A Y T 3 S- 0 0 57 2,-0.1 611,-0.5 610,-0.0 -1,-0.3 0.281 119.8 -99.1-109.1 11.8 47.1 -4.0 30.5 20 26 A G S < S+ 0 0 5 -3,-2.0 -2,-0.1 1,-0.3 168,-0.1 0.697 72.8 148.8 80.7 17.4 46.7 -1.9 33.7 21 27 A V - 0 0 0 -4,-0.1 -4,-2.0 168,-0.1 2,-0.3 -0.791 40.7-139.7 -87.5 116.0 46.1 1.3 31.7 22 28 A P E -A 16 0A 0 0, 0.0 168,-1.8 0, 0.0 2,-0.8 -0.616 11.9-159.9 -83.3 132.8 43.7 3.5 33.8 23 29 A H E -Ac 15 190A 2 -8,-1.0 -8,-2.6 -2,-0.3 2,-0.6 -0.877 17.6-160.8-110.4 93.7 40.9 5.4 32.2 24 30 A I E -Ac 14 191A 0 166,-2.9 168,-2.9 -2,-0.8 2,-0.5 -0.699 8.4-172.8 -82.9 116.7 40.1 8.1 34.8 25 31 A Y E +Ac 13 192A 2 -12,-2.9 -12,-2.0 -2,-0.6 2,-0.3 -0.945 8.2 175.3-112.2 124.3 36.7 9.7 34.4 26 32 A G - 0 0 0 166,-3.1 -14,-0.1 -2,-0.5 3,-0.1 -0.945 39.3-135.3-129.9 151.3 35.8 12.7 36.6 27 33 A V S S+ 0 0 57 -2,-0.3 2,-0.3 166,-0.2 166,-0.1 0.571 95.2 5.1 -76.4 -9.5 32.9 15.1 36.8 28 34 A D S > S- 0 0 69 164,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.972 88.3 -88.2-162.6 170.1 35.4 17.9 37.1 29 35 A A H > S+ 0 0 27 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.942 120.8 49.7 -53.3 -57.0 39.1 18.7 36.9 30 36 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 110.5 52.7 -51.7 -41.4 39.9 18.1 40.6 31 37 A S H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 109.2 48.1 -60.7 -45.3 38.1 14.7 40.5 32 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.897 111.2 50.1 -64.4 -40.6 40.1 13.5 37.5 33 39 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.887 109.8 51.4 -65.4 -36.7 43.4 14.6 39.0 34 40 A Y H X S+ 0 0 24 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.937 111.3 47.8 -63.1 -46.6 42.4 12.7 42.2 35 41 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.899 110.7 51.6 -60.3 -41.0 41.7 9.7 40.1 36 42 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.900 110.0 49.3 -62.9 -41.9 45.0 10.1 38.3 37 43 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.851 110.6 50.6 -66.5 -34.5 46.8 10.3 41.6 38 44 A W H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 110.2 49.3 -67.2 -48.5 45.0 7.1 42.8 39 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 110.6 50.3 -57.2 -47.6 46.0 5.2 39.7 40 46 A Q H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.862 109.9 49.7 -61.7 -36.5 49.6 6.2 39.9 41 47 A A H X S+ 0 0 2 -4,-1.6 4,-1.3 3,-0.2 -1,-0.2 0.872 111.3 51.7 -69.1 -35.2 49.8 5.1 43.6 42 48 A R H < S+ 0 0 68 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.926 122.0 29.5 -64.2 -45.1 48.2 1.8 42.5 43 49 A S H < S+ 0 0 5 -4,-2.6 589,-1.8 -5,-0.1 590,-0.7 0.722 142.7 7.8 -91.7 -24.9 50.8 1.3 39.7 44 50 A H H X S+ 0 0 4 -4,-3.0 4,-2.2 -5,-0.2 3,-0.3 0.110 78.8 135.6-145.7 23.4 54.0 3.0 41.0 45 51 A G H X + 0 0 1 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.830 69.9 53.6 -43.3 -49.0 53.2 4.0 44.6 46 52 A D H > S+ 0 0 21 69,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 113.8 38.9 -57.9 -52.6 56.5 2.8 46.1 47 53 A N H > S+ 0 0 41 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.839 114.7 54.0 -69.7 -32.5 58.8 4.7 43.8 48 54 A I H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.963 110.8 45.8 -64.6 -49.9 56.7 7.8 43.6 49 55 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.889 113.4 50.3 -59.3 -41.6 56.6 8.1 47.4 50 56 A R H X S+ 0 0 46 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.940 112.7 45.6 -62.9 -47.8 60.3 7.5 47.6 51 57 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 112.0 51.3 -61.7 -45.9 61.0 10.2 45.0 52 58 A Y H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.894 107.7 54.7 -57.7 -39.8 58.6 12.6 46.7 53 59 A G H ><>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.2 3,-0.7 0.917 108.1 48.3 -59.9 -42.9 60.5 11.9 49.9 54 60 A E H ><5S+ 0 0 14 -4,-2.0 3,-2.3 1,-0.2 5,-0.4 0.906 104.5 59.3 -64.1 -41.4 63.8 12.8 48.2 55 61 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.731 99.1 58.9 -60.0 -23.8 62.2 16.0 46.8 56 62 A R T <<5S- 0 0 52 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.546 117.6-116.0 -79.9 -9.3 61.5 17.1 50.4 57 63 A G T < 5S+ 0 0 7 -3,-2.3 -3,-0.2 -4,-0.2 3,-0.2 0.727 88.3 117.4 78.6 21.2 65.2 16.8 51.0 58 64 A K >< + 0 0 65 -5,-1.8 4,-3.3 1,-0.1 5,-0.4 0.254 32.7 107.3-102.7 7.5 64.4 14.0 53.4 59 65 A G H > S+ 0 0 0 -5,-0.4 4,-2.6 -6,-0.3 5,-0.3 0.934 82.5 43.7 -51.7 -52.8 66.3 11.3 51.5 60 66 A A H > S+ 0 0 0 7,-0.5 200,-2.8 3,-0.2 4,-1.4 0.860 116.9 48.5 -62.6 -35.5 69.1 11.1 54.0 61 67 A E H 4 S+ 0 0 48 198,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.950 117.7 37.2 -70.0 -52.0 66.7 11.2 56.9 62 68 A Y H < S+ 0 0 17 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.870 137.8 12.0 -69.8 -40.8 64.3 8.5 55.7 63 69 A W H < S- 0 0 17 -4,-2.6 3,-0.4 -5,-0.4 -3,-0.2 0.318 94.8-138.3-126.9 9.6 66.7 6.1 54.1 64 70 A G >< - 0 0 2 -4,-1.4 3,-2.3 -5,-0.3 4,-0.3 -0.166 58.1 -1.6 76.3-163.9 70.3 7.1 55.1 65 71 A P G >> S+ 0 0 78 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.700 118.2 61.8 -33.0 -53.0 73.7 7.3 53.4 66 72 A D G 34 S+ 0 0 146 -3,-0.4 4,-0.2 1,-0.3 -2,-0.1 0.673 112.3 40.6 -60.4 -14.8 72.8 6.2 49.9 67 73 A Y G <> S+ 0 0 50 -3,-2.3 4,-1.7 -8,-0.2 -7,-0.5 0.377 89.9 92.3-113.1 3.2 70.5 9.2 49.6 68 74 A E H <> S+ 0 0 34 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 0.849 79.8 55.8 -67.8 -38.1 72.7 11.8 51.3 69 75 A Q H X S+ 0 0 164 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.940 110.2 45.5 -61.0 -47.8 74.4 13.1 48.2 70 76 A T H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.900 110.8 54.3 -62.8 -40.3 71.1 14.0 46.5 71 77 A T H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.939 110.4 45.8 -58.4 -47.8 69.8 15.5 49.8 72 78 A V H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 112.4 52.5 -61.8 -40.5 72.8 17.8 49.9 73 79 A W H X S+ 0 0 9 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.911 114.7 40.4 -62.4 -44.5 72.4 18.6 46.2 74 80 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 -2,-0.2 0.847 116.8 47.6 -76.1 -35.8 68.7 19.6 46.7 75 81 A L H ><5S+ 0 0 31 -4,-2.8 3,-2.6 -5,-0.2 -2,-0.2 0.948 109.0 53.0 -70.2 -47.6 69.1 21.5 50.0 76 82 A T H 3<5S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 113.6 44.9 -57.8 -29.3 72.1 23.5 48.8 77 83 A N T 3<5S- 0 0 6 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.236 110.5-126.5 -97.3 13.0 70.0 24.5 45.8 78 84 A G T <>5 + 0 0 13 -3,-2.6 4,-2.3 1,-0.1 -3,-0.2 0.757 56.0 150.8 48.2 34.4 67.0 25.2 48.0 79 85 A V H >< + 0 0 0 -5,-2.6 4,-1.9 1,-0.2 5,-0.2 0.915 66.0 49.7 -62.3 -47.4 64.7 23.0 46.0 80 86 A P H > S+ 0 0 21 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.877 115.1 44.0 -63.1 -34.9 62.3 21.9 48.7 81 87 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.907 112.4 51.3 -75.3 -40.6 61.7 25.5 49.9 82 88 A R H X S+ 0 0 41 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.821 105.0 59.0 -64.2 -28.4 61.4 26.8 46.4 83 89 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.891 103.0 51.9 -66.1 -38.5 58.8 24.1 45.9 84 90 A Q H X S+ 0 0 105 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.941 112.1 46.2 -61.6 -46.7 56.8 25.6 48.7 85 91 A Q H X S+ 0 0 88 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.959 112.2 48.8 -60.4 -53.5 56.9 29.0 47.1 86 92 A W H < S+ 0 0 11 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.881 110.3 53.0 -54.5 -40.6 56.0 27.7 43.6 87 93 A Y H >< S+ 0 0 47 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.950 111.0 45.9 -60.5 -48.6 53.1 25.8 45.2 88 94 A A H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.4 56.6 -64.0 -29.1 51.9 28.9 46.8 89 95 A Q T 3< S+ 0 0 109 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.401 83.0 111.5 -85.2 1.9 52.3 30.9 43.5 90 96 A Q S < S- 0 0 13 -3,-1.4 211,-0.1 -4,-0.3 -3,-0.0 -0.356 81.7 -98.2 -71.8 155.9 50.1 28.5 41.6 91 97 A S > - 0 0 36 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 -0.486 36.7-113.2 -71.2 148.4 46.8 29.8 40.3 92 98 A P H > S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.894 114.6 53.6 -48.6 -46.0 43.9 28.8 42.7 93 99 A D H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.939 112.9 40.0 -56.1 -54.4 42.4 26.5 40.0 94 100 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.877 110.1 58.5 -67.2 -37.2 45.5 24.5 39.3 95 101 A R H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.852 103.2 56.1 -60.1 -30.8 46.6 24.4 43.0 96 102 A A H X S+ 0 0 38 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.3 0.880 106.2 49.0 -67.6 -37.3 43.2 22.7 43.5 97 103 A N H X S+ 0 0 10 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.857 111.5 49.6 -69.2 -35.8 44.1 20.0 40.9 98 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.899 109.8 50.0 -69.7 -41.0 47.5 19.4 42.6 99 105 A D H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 111.3 50.9 -63.2 -38.1 45.9 19.1 46.0 100 106 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.888 107.3 52.7 -65.5 -40.6 43.5 16.6 44.4 101 107 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.937 112.3 44.0 -61.4 -48.7 46.3 14.6 42.9 102 108 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 24,-0.3 0.876 111.4 55.1 -64.6 -37.3 48.1 14.3 46.2 103 109 A A H X S+ 0 0 26 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.867 105.0 53.7 -63.8 -36.5 44.8 13.5 47.9 104 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.890 110.3 46.2 -65.2 -39.7 44.3 10.6 45.4 105 111 A I H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.950 114.5 46.8 -66.8 -49.2 47.7 9.2 46.3 106 112 A N H X S+ 0 0 41 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.924 111.6 53.1 -57.0 -45.8 47.0 9.5 50.0 107 113 A A H X S+ 0 0 21 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.920 108.2 49.0 -56.4 -49.4 43.6 8.0 49.6 108 114 A Y H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.933 111.8 48.3 -58.8 -46.5 45.0 5.0 47.8 109 115 A A H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 111.2 53.5 -61.4 -34.7 47.6 4.4 50.5 110 116 A Q H < S+ 0 0 157 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.8 38.0 -64.1 -49.8 44.8 4.8 53.0 111 117 A Q H < S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.670 127.9 35.3 -77.3 -18.4 42.5 2.1 51.4 112 118 A N >< + 0 0 38 -4,-2.0 3,-1.9 -5,-0.2 4,-0.4 -0.366 62.0 155.3-134.5 58.0 45.4 -0.2 50.5 113 119 A P G > S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.794 74.0 62.9 -54.8 -29.4 48.1 -0.0 53.3 114 120 A D G 3 S+ 0 0 121 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.758 95.9 58.8 -69.5 -23.1 49.3 -3.5 52.3 115 121 A D G < S+ 0 0 67 -3,-1.9 2,-0.5 -6,-0.1 -1,-0.2 0.534 89.5 87.2 -83.3 -5.4 50.3 -2.3 48.8 116 122 A I S < S- 0 0 5 -3,-1.2 5,-0.1 -4,-0.4 -75,-0.0 -0.844 84.2-119.3-100.4 126.3 52.7 0.3 50.2 117 123 A S > - 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