==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-00 1FM2 . COMPND 2 MOLECULE: GLUTARYL 7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVUNDIMONAS DIMINUTA; . AUTHOR Y.KIM,K.H.YOON,Y.KHANG,S.TURLEY,W.G.J.HOL . 672 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 64.4 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 . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.0 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 . 10 1.5 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 3 0 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 . 5 3 7 3 4 2 1 0 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 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.8 34.0 18.1 10.4 2 8 A A - 0 0 66 1,-0.1 3,-0.1 616,-0.0 0, 0.0 -0.626 360.0 -99.4 -86.3 147.3 33.3 18.5 14.2 3 9 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.040 52.8 -79.0 -57.3 168.6 35.0 16.0 16.6 4 10 A I - 0 0 54 1,-0.1 211,-0.1 211,-0.1 0, 0.0 -0.394 64.9 -82.1 -68.1 151.0 32.9 13.1 17.8 5 11 A A - 0 0 98 -3,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.295 51.9-118.0 -56.1 133.9 30.5 14.0 20.7 6 12 A A - 0 0 69 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.315 26.0-108.3 -72.3 157.2 32.4 14.1 24.0 7 13 A Y - 0 0 71 186,-0.1 -1,-0.1 -2,-0.0 186,-0.1 -0.703 21.6-150.2 -88.7 138.7 31.4 11.7 26.8 8 14 A K - 0 0 123 -2,-0.4 2,-0.1 187,-0.1 19,-0.1 -0.835 15.0-145.2-110.8 93.4 29.7 13.2 29.8 9 15 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.353 14.5-171.4 -60.3 129.6 30.6 11.1 32.9 10 16 A R + 0 0 214 1,-0.1 2,-0.3 -2,-0.1 17,-0.1 0.361 69.9 25.4-102.4 2.8 27.7 10.9 35.4 11 17 A S S S- 0 0 57 2,-0.1 2,-0.6 15,-0.0 -1,-0.1 -0.984 83.4-103.0-160.6 156.1 29.8 9.2 38.1 12 18 A N + 0 0 23 -2,-0.3 659,-1.6 659,-0.3 2,-0.3 -0.751 58.2 136.3 -87.9 122.0 33.3 8.9 39.3 13 19 A E E -AB 25 670A 26 12,-2.0 12,-2.7 -2,-0.6 2,-0.5 -0.979 45.8-135.8-163.5 148.6 34.8 5.5 38.4 14 20 A I E -AB 24 669A 0 655,-2.0 655,-2.8 -2,-0.3 2,-0.7 -0.948 15.8-160.8-109.9 127.6 38.0 3.9 37.0 15 21 A L E -AB 23 668A 0 8,-2.5 8,-1.4 -2,-0.5 2,-0.4 -0.940 12.0-158.1-110.0 110.3 37.5 1.3 34.3 16 22 A W E -AB 22 667A 9 651,-3.1 650,-3.5 -2,-0.7 651,-1.4 -0.743 4.5-147.0 -91.3 134.8 40.7 -0.8 34.0 17 23 A D E > - B 0 665A 14 4,-2.0 3,-1.9 -2,-0.4 648,-0.2 -0.292 37.9 -85.2 -90.3-179.8 41.4 -2.8 30.9 18 24 A G T 3 S+ 0 0 42 646,-0.5 647,-0.1 1,-0.3 -1,-0.1 0.569 125.9 52.5 -63.1 -10.9 43.2 -6.2 30.5 19 25 A Y T 3 S- 0 0 61 2,-0.1 611,-0.5 610,-0.0 -1,-0.3 0.316 121.1 -99.9-107.8 8.5 46.6 -4.5 30.5 20 26 A G S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 168,-0.1 0.712 71.6 149.4 83.1 19.9 46.2 -2.5 33.7 21 27 A V - 0 0 0 -4,-0.1 -4,-2.0 168,-0.1 2,-0.4 -0.782 39.8-139.3 -89.6 121.4 45.4 0.7 31.9 22 28 A P E -A 16 0A 0 0, 0.0 168,-2.0 0, 0.0 2,-0.8 -0.672 10.9-161.6 -86.1 131.9 43.1 2.9 34.0 23 29 A H E -Ac 15 190A 1 -8,-1.4 -8,-2.5 -2,-0.4 2,-0.6 -0.906 19.4-160.2-110.8 96.8 40.3 4.8 32.2 24 30 A I E -Ac 14 191A 0 166,-3.3 168,-2.8 -2,-0.8 2,-0.5 -0.727 9.6-171.9 -87.6 118.0 39.5 7.5 34.8 25 31 A Y E +Ac 13 192A 1 -12,-2.7 -12,-2.0 -2,-0.6 2,-0.3 -0.946 8.5 175.7-112.4 124.0 36.1 9.1 34.6 26 32 A G - 0 0 0 166,-2.9 -14,-0.1 -2,-0.5 3,-0.0 -0.953 37.3-136.1-128.6 148.3 35.3 12.1 36.8 27 33 A V S S+ 0 0 54 -2,-0.3 2,-0.3 166,-0.2 166,-0.1 0.620 93.9 5.7 -75.1 -12.2 32.3 14.4 37.1 28 34 A D S > S- 0 0 69 164,-0.1 4,-1.8 1,-0.1 164,-0.1 -0.939 90.1 -87.4-157.1 174.7 34.8 17.3 37.3 29 35 A A H > S+ 0 0 28 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.937 120.5 50.4 -57.7 -53.3 38.5 18.1 37.2 30 36 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.901 109.3 52.7 -53.7 -43.2 39.4 17.5 40.8 31 37 A S H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 108.9 49.4 -60.0 -43.4 37.6 14.1 40.7 32 38 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.915 111.4 48.0 -63.5 -43.7 39.6 13.0 37.7 33 39 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.871 110.7 53.1 -64.9 -35.1 42.9 14.0 39.2 34 40 A Y H X S+ 0 0 24 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.937 110.2 46.6 -63.4 -47.6 41.9 12.1 42.4 35 41 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.845 110.9 53.5 -63.0 -33.3 41.2 9.0 40.4 36 42 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.876 108.9 48.2 -68.6 -39.7 44.5 9.5 38.6 37 43 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 112.2 49.5 -67.1 -40.3 46.4 9.7 41.9 38 44 A W H X S+ 0 0 30 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.953 112.1 48.2 -61.9 -49.9 44.5 6.5 43.0 39 45 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.906 111.7 48.7 -58.1 -46.7 45.4 4.7 39.8 40 46 A Q H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.861 110.8 50.7 -64.0 -35.2 49.1 5.7 40.0 41 47 A A H X S+ 0 0 3 -4,-2.0 4,-1.9 3,-0.2 -1,-0.2 0.910 111.4 49.3 -67.4 -41.0 49.3 4.6 43.6 42 48 A R H < S+ 0 0 73 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.958 121.8 32.7 -60.3 -51.8 47.8 1.3 42.6 43 49 A S H < S+ 0 0 5 -4,-2.7 589,-1.7 1,-0.2 590,-0.8 0.781 142.6 6.8 -79.2 -30.4 50.2 0.7 39.7 44 50 A H H X S+ 0 0 2 -4,-3.0 4,-2.0 -5,-0.2 3,-0.3 0.103 78.9 135.4-143.6 26.2 53.4 2.4 41.1 45 51 A G H X + 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.832 69.5 54.3 -46.7 -48.6 52.8 3.4 44.7 46 52 A D H > S+ 0 0 21 69,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 113.8 38.9 -57.6 -50.3 56.0 2.2 46.2 47 53 A N H > S+ 0 0 45 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.824 114.7 54.1 -71.8 -30.9 58.4 4.1 43.8 48 54 A I H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.948 110.1 46.1 -67.7 -47.3 56.2 7.2 43.8 49 55 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.891 113.2 51.3 -62.2 -37.9 56.1 7.5 47.5 50 56 A R H X S+ 0 0 37 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.937 111.7 46.1 -63.8 -45.8 59.9 6.9 47.6 51 57 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 112.2 50.3 -63.7 -42.1 60.5 9.6 45.0 52 58 A Y H X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.881 107.6 55.8 -63.4 -37.2 58.2 12.1 46.8 53 59 A G H <>S+ 0 0 0 -4,-2.2 5,-1.8 -5,-0.2 3,-0.4 0.908 109.0 46.0 -61.2 -41.4 60.1 11.3 50.0 54 60 A E H ><5S+ 0 0 12 -4,-1.9 3,-2.1 1,-0.2 5,-0.4 0.905 106.8 57.4 -67.8 -41.7 63.3 12.3 48.3 55 61 A A H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 99.8 60.3 -62.2 -21.0 61.9 15.5 46.8 56 62 A R T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.602 118.5-116.0 -79.1 -13.7 61.0 16.5 50.4 57 63 A G T < 5S+ 0 0 7 -3,-2.1 4,-0.2 -4,-0.3 -3,-0.2 0.686 89.0 112.0 84.1 19.9 64.7 16.3 51.1 58 64 A K >< + 0 0 80 -5,-1.8 4,-3.1 1,-0.1 5,-0.3 0.133 31.3 109.4-112.6 22.2 64.1 13.5 53.5 59 65 A G H >>S+ 0 0 0 -5,-0.4 4,-3.2 1,-0.2 5,-0.5 0.944 84.2 45.1 -61.0 -48.8 65.8 10.6 51.6 60 66 A A H >5S+ 0 0 0 7,-0.5 200,-2.6 3,-0.2 4,-1.6 0.894 115.6 48.7 -61.7 -40.2 68.7 10.4 54.0 61 67 A E H 45S+ 0 0 49 198,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.933 119.8 35.9 -66.2 -47.1 66.3 10.7 57.0 62 68 A Y H <5S+ 0 0 15 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.881 136.9 12.6 -75.0 -41.7 63.9 8.0 55.7 63 69 A W H <5S- 0 0 22 -4,-3.2 3,-0.3 -5,-0.3 -3,-0.2 0.447 96.0-127.6-123.2 0.3 66.3 5.5 54.1 64 70 A G ><< - 0 0 2 -4,-1.6 3,-2.3 -5,-0.5 -1,-0.2 -0.370 56.9 -15.4 95.3-170.8 69.9 6.3 55.0 65 71 A P G >> S+ 0 0 71 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.726 119.3 67.4 -45.2 -39.7 73.4 6.9 53.3 66 72 A D G 34 S+ 0 0 148 -3,-0.3 4,-0.1 1,-0.3 -2,-0.1 0.677 111.0 36.6 -61.9 -16.6 72.4 5.5 49.9 67 73 A Y G <> S+ 0 0 58 -3,-2.3 4,-1.5 -8,-0.1 -7,-0.5 0.323 92.3 93.9-116.8 6.1 70.0 8.5 49.6 68 74 A E H <> S+ 0 0 35 -3,-1.3 4,-2.5 -4,-0.2 5,-0.2 0.862 78.6 56.3 -68.7 -39.6 72.2 11.1 51.4 69 75 A Q H X S+ 0 0 160 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.912 109.8 45.7 -61.0 -43.1 73.9 12.5 48.2 70 76 A T H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.880 110.5 54.7 -67.8 -36.5 70.6 13.4 46.6 71 77 A T H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.941 110.2 45.7 -61.2 -46.3 69.4 14.9 49.9 72 78 A V H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.882 113.7 50.4 -63.6 -38.8 72.5 17.2 50.0 73 79 A W H X S+ 0 0 7 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.909 114.9 41.6 -66.3 -43.9 72.0 18.1 46.4 74 80 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 -2,-0.2 0.870 116.7 46.9 -74.8 -37.5 68.3 18.9 46.7 75 81 A L H ><5S+ 0 0 31 -4,-2.6 3,-2.0 -5,-0.3 -2,-0.2 0.926 110.6 51.9 -69.8 -44.4 68.6 20.8 50.1 76 82 A T H 3<5S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.856 112.7 46.5 -60.5 -33.6 71.6 22.8 48.9 77 83 A N T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.300 111.8-125.9 -90.6 10.0 69.6 23.8 45.8 78 84 A G T <>5 + 0 0 14 -3,-2.0 4,-2.3 1,-0.1 -3,-0.2 0.755 57.4 148.8 52.5 33.2 66.6 24.6 48.0 79 85 A V H >< + 0 0 0 -5,-2.6 4,-2.3 2,-0.2 5,-0.2 0.926 64.9 49.9 -64.8 -48.8 64.2 22.3 46.1 80 86 A P H > S+ 0 0 23 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.920 116.2 43.1 -59.2 -40.1 61.9 21.3 48.9 81 87 A E H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.907 112.3 51.9 -71.6 -41.1 61.3 24.8 50.1 82 88 A R H X S+ 0 0 43 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.864 105.0 58.6 -63.1 -32.9 60.9 26.2 46.6 83 89 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 102.7 52.1 -62.1 -39.9 58.3 23.5 46.0 84 90 A Q H X S+ 0 0 105 -4,-1.2 4,-2.0 -3,-0.2 -1,-0.2 0.901 111.9 47.3 -62.2 -39.9 56.3 24.9 48.9 85 91 A Q H X S+ 0 0 88 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.952 111.4 48.5 -66.4 -51.0 56.5 28.4 47.2 86 92 A W H < S+ 0 0 10 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.873 110.3 53.7 -57.4 -38.0 55.5 27.1 43.8 87 93 A Y H >< S+ 0 0 49 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.943 110.5 44.8 -62.4 -48.4 52.6 25.2 45.3 88 94 A A H 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.9 58.0 -64.5 -30.8 51.3 28.4 47.0 89 95 A Q T 3< S+ 0 0 107 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.486 83.7 110.3 -78.8 -3.3 51.9 30.3 43.7 90 96 A Q S < S- 0 0 11 -3,-1.4 211,-0.1 -4,-0.4 -3,-0.0 -0.321 81.0 -99.8 -69.9 156.2 49.6 27.9 41.8 91 97 A S > - 0 0 35 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.450 35.1-113.2 -71.5 151.6 46.3 29.2 40.5 92 98 A P H > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.903 115.0 51.8 -52.7 -45.7 43.4 28.2 42.8 93 99 A D H > S+ 0 0 129 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.942 114.6 40.2 -58.3 -51.9 41.9 26.0 40.1 94 100 A F H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.845 109.5 58.5 -69.9 -34.0 45.0 24.0 39.5 95 101 A R H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.854 102.7 56.2 -63.2 -31.4 46.1 23.8 43.1 96 102 A A H X S+ 0 0 39 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.3 0.817 106.1 50.4 -68.2 -29.9 42.8 22.1 43.7 97 103 A N H X S+ 0 0 10 -4,-0.8 4,-2.1 -3,-0.4 -2,-0.2 0.901 110.4 48.4 -74.4 -39.9 43.7 19.5 41.1 98 104 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 111.7 50.1 -65.8 -38.8 47.1 18.9 42.7 99 105 A D H X S+ 0 0 57 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.893 110.9 49.4 -65.2 -39.6 45.4 18.5 46.1 100 106 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.868 109.5 52.1 -66.2 -38.1 42.9 16.0 44.6 101 107 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.938 111.9 44.7 -63.5 -49.4 45.8 14.1 43.1 102 108 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 24,-0.3 0.876 111.9 54.0 -62.5 -38.1 47.6 13.8 46.4 103 109 A A H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.857 104.6 55.0 -64.4 -36.2 44.4 12.9 48.1 104 110 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 108.2 48.3 -63.8 -40.5 43.9 10.1 45.6 105 111 A I H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.886 113.0 47.3 -66.1 -41.4 47.3 8.7 46.5 106 112 A N H X S+ 0 0 39 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.896 110.3 52.9 -67.9 -40.2 46.5 8.9 50.2 107 113 A A H X S+ 0 0 22 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.891 107.6 50.8 -63.1 -41.4 43.1 7.3 49.8 108 114 A Y H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.942 112.4 46.3 -62.2 -46.5 44.5 4.3 47.9 109 115 A A H < S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.2 52.6 -62.2 -37.1 47.1 3.7 50.6 110 116 A Q H < S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 116.3 37.5 -64.6 -46.0 44.4 4.1 53.3 111 117 A Q H < S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.655 128.5 34.7 -81.2 -18.1 42.1 1.5 51.6 112 118 A N >< + 0 0 39 -4,-1.9 3,-1.8 -5,-0.2 4,-0.3 -0.402 63.4 155.2-135.5 58.8 44.9 -0.8 50.6 113 119 A P G > S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.752 71.5 65.1 -58.8 -23.8 47.6 -0.6 53.3 114 120 A D G 3 S+ 0 0 123 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.752 94.9 59.1 -72.6 -19.7 48.9 -4.1 52.4 115 121 A D G < S+ 0 0 61 -3,-1.8 2,-0.6 -6,-0.1 -1,-0.2 0.504 88.1 89.5 -85.1 -3.9 50.0 -2.8 48.9 116 122 A I S < S- 0 0 5 -3,-1.1 5,-0.1 -4,-0.3 -1,-0.0 -0.848 83.0-121.6-101.4 116.4 52.3 -0.2 50.5 117 123 A S >> - 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0 0 56 -2,-0.3 3,-2.4 -3,-0.1 4,-0.1 -0.913 36.4 -93.3-139.1 166.3 69.8 27.4 9.5 411 427 B P G > S+ 0 0 17 0, 0.0 3,-1.8 0, 0.0 8,-0.1 0.822 118.2 64.1 -46.9 -41.5 72.2 27.6 12.5 412 428 B A G 3 S+ 0 0 92 1,-0.3 4,-0.1 4,-0.0 0, 0.0 0.607 89.4 71.0 -62.6 -11.6 73.2 31.1 11.6 413 429 B N G < S+ 0 0 100 -3,-2.4 -1,-0.3 2,-0.1 3,-0.0 0.447 100.9 44.2 -85.6 -0.2 69.6 32.3 12.3 414 430 B H S < S- 0 0 37 -3,-1.8 -32,-0.1 -4,-0.1 -33,-0.0 -0.952 100.3 -81.3-140.9 158.6 70.0 31.7 16.1 415 431 B P > - 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.361 43.7-123.1 -60.1 140.3 72.5 32.5 18.8 416 432 B S T 3 S+ 0 0 56 1,-0.3 -59,-2.0 2,-0.1 5,-0.1 0.423 103.6 66.1 -67.2 0.4 75.2 29.8 18.8 417 433 B Y T 3 S+ 0 0 13 -61,-0.3 -190,-0.3 -60,-0.1 -1,-0.3 0.455 81.2 78.5-101.8 0.4 74.6 28.8 22.4 418 434 B L S < S- 0 0 2 -3,-1.6 -191,-0.3 1,-0.2 -2,-0.1 0.887 107.5 -6.4 -74.8 -40.9 71.1 27.4 21.9 419 435 B A S S- 0 0 2 -4,-0.3 -1,-0.2 -193,-0.1 -62,-0.2 -0.995 76.2 -96.8-155.6 152.1 72.1 24.0 20.4 420 436 B P - 0 0 38 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.149 15.5-146.9 -65.7 164.9 75.2 22.1 19.2 421 437 B Q + 0 0 114 -22,-0.1 104,-0.1 -5,-0.1 3,-0.1 -0.318 52.8 136.3-126.0 43.9 76.2 22.0 15.6 422 438 B T - 0 0 77 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.472 65.5 -72.1 -89.9 162.3 77.6 18.4 15.9 423 439 B P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.223 51.7-115.0 -55.0 138.6 77.0 15.5 13.4 424 440 B H - 0 0 6 104,-0.1 -26,-0.1 1,-0.1 5,-0.1 -0.579 33.9-109.9 -78.1 138.6 73.6 14.0 13.4 425 441 B S > - 0 0 32 -2,-0.3 4,-1.7 -29,-0.1 5,-0.1 -0.150 25.8-111.2 -61.4 162.4 73.4 10.4 14.6 426 442 B L H > S+ 0 0 11 158,-0.4 4,-2.2 1,-0.2 158,-0.2 0.844 119.6 57.9 -66.5 -32.1 72.6 7.7 12.0 427 443 B R H > S+ 0 0 21 156,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.913 106.7 47.9 -62.0 -42.9 69.3 7.2 13.7 428 444 B A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 109.4 53.0 -66.8 -35.0 68.4 10.8 13.2 429 445 B Q H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.894 108.6 50.0 -67.9 -37.3 69.5 10.6 9.5 430 446 B Q H X S+ 0 0 16 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.914 105.6 57.9 -65.0 -41.5 67.2 7.6 9.2 431 447 B S H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 5,-0.2 0.937 109.2 43.9 -53.5 -50.3 64.3 9.6 10.7 432 448 B V H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.919 115.5 48.4 -61.8 -45.6 64.6 12.3 8.0 433 449 B R H X S+ 0 0 97 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.939 108.0 53.2 -60.8 -50.4 64.9 9.7 5.2 434 450 B L H < S+ 0 0 18 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.844 117.6 37.2 -56.5 -36.4 61.9 7.6 6.3 435 451 B X H >< S+ 0 0 0 -4,-1.5 3,-0.9 -5,-0.3 -2,-0.2 0.954 119.4 44.2 -82.0 -52.7 59.6 10.7 6.4 436 452 B S H 3< S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.828 112.6 52.4 -62.2 -33.6 60.9 12.6 3.4 437 453 B E T 3< S+ 0 0 115 -4,-2.6 2,-0.4 -5,-0.3 -1,-0.2 0.622 101.6 70.5 -80.6 -13.0 61.1 9.6 1.1 438 454 B N < + 0 0 29 -3,-0.9 2,-0.3 -4,-0.3 3,-0.2 -0.871 56.4 173.5-111.8 141.3 57.6 8.4 1.7 439 455 B D + 0 0 116 -2,-0.4 -275,-0.1 1,-0.1 -276,-0.1 -0.860 60.0 37.7-134.9 166.6 54.4 10.0 0.5 440 456 B D S S- 0 0 104 -2,-0.3 -276,-0.3 -278,-0.2 -275,-0.2 0.861 82.6-170.0 58.5 35.8 50.7 9.1 0.6 441 457 B L B -o 164 0C 4 -278,-2.2 -276,-3.0 -3,-0.2 -275,-0.5 -0.235 14.1-161.9 -62.3 143.5 51.3 7.6 4.1 442 458 B T > - 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