==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4B0S . COMPND 2 MOLECULE: DEAMIDASE-DEPUPYLASE DOP; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDOTHERMUS CELLULOLYTICUS; . AUTHOR D.OZCELIK,J.BARANDUN,N.SCHMITZ,M.SUTTER,E.GUTH,F.F.DAMBERGER . 456 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 12.7 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 0 0 1 1 1 3 2 0 0 1 0 1 0 0 3 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 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 M 0 0 25 0, 0.0 2,-0.4 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 164.2 -25.3 3.2 -33.3 2 2 A H + 0 0 109 62,-0.1 2,-0.3 217,-0.0 62,-0.2 -0.941 360.0 134.1-131.8 114.6 -25.2 6.9 -34.0 3 3 A R - 0 0 24 60,-3.2 2,-0.8 -2,-0.4 114,-0.1 -0.963 51.2-120.8-148.5 139.4 -25.3 9.7 -31.4 4 4 A V + 0 0 9 112,-0.4 112,-2.9 -2,-0.3 2,-0.3 -0.732 54.3 147.7 -86.5 115.6 -23.2 12.8 -31.2 5 5 A M E -AB 62 115A 4 57,-3.2 57,-2.9 -2,-0.8 2,-0.3 -0.868 28.0-168.5-142.3 167.9 -21.3 12.6 -27.9 6 6 A G E - B 0 114A 9 108,-1.9 108,-3.2 -2,-0.3 2,-0.5 -0.977 15.9-138.4-159.0 155.0 -18.1 13.5 -26.2 7 7 A I E - B 0 113A 1 -2,-0.3 52,-2.0 53,-0.3 2,-0.7 -0.961 12.6-170.6-123.3 114.3 -16.3 12.8 -23.0 8 8 A E E -CB 58 112A 13 104,-2.6 104,-3.2 -2,-0.5 2,-0.5 -0.911 11.3-168.4-104.0 110.5 -14.5 15.6 -21.2 9 9 A T E -CB 57 111A 0 48,-2.5 48,-2.5 -2,-0.7 2,-0.9 -0.865 15.5-149.6-103.2 125.3 -12.4 14.2 -18.3 10 10 A E E -C 56 0A 4 100,-1.4 90,-0.4 -2,-0.5 2,-0.3 -0.837 26.7-139.7 -90.4 111.1 -10.9 16.5 -15.7 11 11 A Y - 0 0 0 44,-2.8 88,-0.2 -2,-0.9 2,-0.1 -0.528 12.5-117.3 -79.6 130.2 -7.7 14.6 -14.8 12 12 A G E -G 98 0B 0 86,-2.9 86,-2.8 -2,-0.3 2,-0.4 -0.446 36.6-160.9 -60.5 132.7 -6.7 14.4 -11.1 13 13 A I E +G 97 0B 26 84,-0.2 2,-0.3 -2,-0.1 84,-0.2 -0.979 16.0 171.0-127.6 132.1 -3.4 16.2 -10.8 14 14 A S E -G 96 0B 46 82,-2.6 82,-3.0 -2,-0.4 -2,-0.0 -0.988 22.5-149.3-136.3 146.8 -0.8 15.9 -8.1 15 15 A V > - 0 0 25 -2,-0.3 3,-1.2 80,-0.2 80,-0.2 -0.949 25.7-132.0-115.7 111.1 2.7 17.2 -7.6 16 16 A P T 3 S+ 0 0 43 0, 0.0 78,-0.2 0, 0.0 -2,-0.0 -0.380 88.8 2.6 -62.0 131.2 4.8 14.9 -5.4 17 17 A H T 3 S+ 0 0 181 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 0.874 103.7 114.3 61.5 39.5 6.8 16.8 -2.7 18 18 A Q < + 0 0 71 -3,-1.2 -3,-0.2 1,-0.1 3,-0.2 -0.547 20.9 153.6-142.7 71.4 5.2 20.1 -3.9 19 19 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.818 82.9 54.2 -66.4 -30.7 3.0 21.6 -1.2 20 20 A N S S+ 0 0 161 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.778 85.5 106.0 -72.0 -30.0 3.7 25.0 -2.8 21 21 A A - 0 0 24 -3,-0.2 2,-0.4 -6,-0.1 -6,-0.1 -0.243 66.1-135.6 -59.7 136.3 2.7 23.9 -6.3 22 22 A N > - 0 0 94 1,-0.1 4,-3.5 2,-0.0 5,-0.3 -0.774 6.5-137.8 -96.4 135.5 -0.7 25.3 -7.5 23 23 A A H > S+ 0 0 39 -2,-0.4 4,-3.8 1,-0.2 5,-0.3 0.939 107.6 52.2 -52.9 -51.8 -3.2 23.0 -9.3 24 24 A M H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 115.4 42.9 -50.6 -44.0 -3.9 25.7 -11.8 25 25 A A H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.937 117.2 42.9 -71.9 -50.3 -0.2 26.0 -12.5 26 26 A A H X S+ 0 0 0 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.890 115.2 52.0 -62.6 -39.4 0.6 22.2 -12.5 27 27 A S H X S+ 0 0 0 -4,-3.8 4,-1.3 -5,-0.3 -1,-0.2 0.816 114.0 44.1 -64.8 -32.7 -2.5 21.7 -14.6 28 28 A S H X S+ 0 0 26 -4,-1.3 4,-2.7 -5,-0.3 5,-0.3 0.876 106.8 58.2 -79.7 -39.6 -1.3 24.4 -17.0 29 29 A Q H X S+ 0 0 23 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.845 109.6 45.8 -61.3 -34.5 2.3 23.1 -17.1 30 30 A V H X S+ 0 0 1 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.924 112.7 48.3 -72.7 -46.6 1.1 19.8 -18.4 31 31 A V H < S+ 0 0 0 -4,-1.3 4,-0.4 1,-0.2 -2,-0.2 0.839 115.2 46.8 -62.2 -33.5 -1.3 21.2 -20.9 32 32 A N H < S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.748 103.7 62.8 -78.3 -25.7 1.5 23.5 -22.1 33 33 A A H < S+ 0 0 4 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.803 106.5 44.3 -68.2 -30.4 3.9 20.5 -22.2 34 34 A Y S < S+ 0 0 33 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.609 89.0 92.6 -87.5 -13.1 1.8 18.8 -24.8 35 35 A A 0 0 54 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.850 360.0 360.0 -51.2 -45.0 1.3 22.0 -26.8 36 36 A P 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.698 360.0 360.0 -72.3 360.0 4.4 21.4 -29.1 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 81 A A 0 0 63 0, 0.0 2,-0.7 0, 0.0 12,-0.6 0.000 360.0 360.0 360.0 93.5 -4.2 27.4 -21.4 39 82 A N E +D 49 0A 81 10,-0.2 2,-0.5 2,-0.0 10,-0.3 -0.891 360.0 177.2-106.7 110.2 -6.7 26.1 -24.0 40 83 A V E -D 48 0A 33 8,-4.3 8,-3.9 -2,-0.7 2,-0.6 -0.942 19.1-151.2-115.7 129.4 -5.1 23.9 -26.7 41 84 A I E -D 47 0A 23 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.888 23.0-138.3 -98.3 121.3 -7.0 22.2 -29.5 42 85 A L > - 0 0 9 4,-2.1 3,-2.5 -2,-0.6 356,-0.2 -0.332 22.0-116.7 -78.0 157.5 -5.4 19.0 -30.6 43 86 A T T 3 S+ 0 0 49 1,-0.3 356,-0.2 355,-0.1 340,-0.1 0.674 117.4 71.2 -59.3 -15.8 -4.9 17.7 -34.2 44 87 A N T 3 S- 0 0 0 338,-0.4 -1,-0.3 340,-0.2 351,-0.2 0.567 116.5-116.0 -74.9 -12.3 -7.1 15.0 -32.7 45 88 A G S < S+ 0 0 0 -3,-2.5 16,-0.2 1,-0.4 -2,-0.1 0.218 81.7 127.3 83.0 -12.6 -10.1 17.4 -32.6 46 89 A A - 0 0 0 336,-0.2 -4,-2.1 14,-0.1 2,-0.4 -0.140 58.2-128.0 -67.0 165.0 -9.7 16.8 -28.9 47 90 A R E -DE 41 58A 58 11,-3.0 11,-3.0 -6,-0.2 2,-0.5 -0.989 17.3-169.5-122.6 129.9 -9.4 19.7 -26.4 48 91 A L E +DE 40 57A 1 -8,-3.9 -8,-4.3 -2,-0.4 2,-0.3 -0.979 30.6 132.1-113.7 122.0 -6.7 20.2 -23.8 49 92 A Y E -DE 39 56A 13 7,-1.8 7,-3.4 -2,-0.5 2,-0.6 -0.987 56.7 -97.7-158.9 165.3 -7.2 22.9 -21.2 50 93 A V E + E 0 55A 24 -12,-0.6 2,-0.4 -2,-0.3 -22,-0.1 -0.809 41.5 174.0 -90.1 123.0 -7.2 23.8 -17.6 51 94 A D E > - E 0 54A 48 3,-3.1 3,-0.7 -2,-0.6 -2,-0.0 -0.968 68.4 -10.0-134.9 119.1 -10.6 23.6 -16.0 52 95 A H T 3 S- 0 0 100 -2,-0.4 -1,-0.1 1,-0.2 -28,-0.0 0.864 127.9 -58.2 63.0 36.3 -11.3 24.1 -12.2 53 96 A A T 3 S+ 0 0 20 1,-0.2 -1,-0.2 -29,-0.1 -26,-0.2 0.761 119.2 110.7 63.7 25.3 -7.5 23.9 -11.6 54 97 A H E < S- E 0 51A 28 -3,-0.7 -3,-3.1 -27,-0.1 2,-0.3 -0.982 77.1-112.8-126.2 140.9 -7.5 20.5 -13.3 55 98 A P E - E 0 50A 0 0, 0.0 -44,-2.8 0, 0.0 2,-0.4 -0.608 42.5-158.3 -68.0 130.4 -6.0 19.5 -16.6 56 99 A E E -CE 10 49A 0 -7,-3.4 -7,-1.8 -2,-0.3 2,-0.5 -0.894 16.8-162.0-118.5 142.4 -8.9 18.6 -18.8 57 100 A Y E -CE 9 48A 0 -48,-2.5 -48,-2.5 -2,-0.4 2,-0.6 -0.957 5.8-170.1-122.6 114.5 -9.2 16.4 -21.9 58 101 A S E -CE 8 47A 6 -11,-3.0 -11,-3.0 -2,-0.5 -50,-0.2 -0.905 20.9-134.4-103.9 117.1 -12.2 16.8 -24.2 59 102 A T - 0 0 5 -52,-2.0 3,-0.1 -2,-0.6 13,-0.1 -0.120 29.5 -97.6 -58.0 158.8 -12.5 14.2 -26.8 60 103 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -53,-0.3 -0.365 59.6 -77.6 -65.2 164.3 -13.4 15.2 -30.4 61 104 A E - 0 0 16 -16,-0.2 2,-0.3 -55,-0.1 330,-0.3 -0.527 58.7-170.1 -65.3 129.5 -17.1 14.8 -31.1 62 105 A V B -A 5 0A 0 -57,-2.9 -57,-3.2 -2,-0.3 -60,-0.0 -0.873 26.8-145.5-122.0 156.4 -17.8 11.2 -31.8 63 106 A T S S+ 0 0 11 -2,-0.3 -60,-3.2 -59,-0.2 -57,-0.1 0.444 80.8 38.5 -98.5 -3.6 -20.9 9.5 -33.2 64 107 A N S > S- 0 0 12 -62,-0.2 4,-2.0 -59,-0.1 5,-0.1 -0.968 77.8-117.0-145.8 160.0 -20.6 6.3 -31.1 65 108 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 150,-0.1 0.776 112.4 58.6 -67.1 -26.2 -19.7 5.0 -27.6 66 109 A R H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.962 108.6 40.9 -69.0 -53.1 -16.8 3.0 -29.1 67 110 A D H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.887 112.8 56.6 -62.7 -38.0 -15.0 6.0 -30.7 68 111 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.937 108.9 47.0 -55.6 -47.9 -15.8 8.0 -27.6 69 112 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 112.8 50.7 -54.9 -46.5 -14.0 5.2 -25.7 70 113 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.903 114.8 39.6 -63.0 -46.6 -11.2 5.3 -28.2 71 114 A W H X S+ 0 0 22 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.688 114.8 53.2 -81.5 -19.8 -10.6 9.1 -28.1 72 115 A D H X S+ 0 0 1 -4,-1.9 4,-1.2 -5,-0.3 3,-0.3 0.915 111.1 46.3 -73.3 -47.8 -11.1 9.2 -24.3 73 116 A K H >X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.3 3,-0.9 0.925 108.2 57.2 -57.3 -45.3 -8.5 6.5 -23.9 74 117 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.851 101.0 58.3 -52.3 -36.1 -6.4 8.5 -26.4 75 118 A G H 3X S+ 0 0 0 -4,-0.8 4,-2.7 -3,-0.3 -1,-0.3 0.839 101.6 54.1 -64.6 -34.6 -6.7 11.4 -23.9 76 119 A E H X S+ 0 0 124 -4,-2.0 4,-1.2 2,-0.2 3,-0.7 0.929 109.5 49.7 -69.7 -46.0 6.2 13.3 -18.8 85 128 A R H 3X S+ 0 0 83 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.856 101.7 63.4 -60.5 -36.7 7.1 16.3 -21.0 86 129 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.857 104.1 48.0 -56.9 -35.6 6.3 18.6 -18.1 87 130 A A H << S+ 0 0 39 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.798 108.9 54.0 -73.3 -30.4 9.2 16.9 -16.3 88 131 A D H < S+ 0 0 137 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.799 91.8 95.2 -72.2 -29.9 11.4 17.3 -19.3 89 132 A L S < S- 0 0 73 -4,-2.1 -56,-0.0 4,-0.2 -3,-0.0 -0.121 97.3-102.9 -58.9 159.0 10.7 21.0 -19.4 90 133 A P S S+ 0 0 130 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.906 109.8 81.8 -51.8 -44.7 13.2 23.4 -17.8 91 134 A M S S- 0 0 104 1,-0.1 -2,-0.1 -62,-0.0 0, 0.0 -0.466 84.2-142.1 -58.8 128.8 10.6 23.6 -14.9 92 135 A G + 0 0 57 -2,-0.2 -1,-0.1 -4,-0.1 -5,-0.1 0.492 48.0 140.0 -79.9 -3.1 11.4 20.5 -12.9 93 136 A W - 0 0 42 -7,-0.1 2,-0.7 1,-0.1 -4,-0.2 -0.101 38.3-157.7 -54.1 128.1 7.8 19.6 -11.9 94 137 A T - 0 0 73 -78,-0.2 2,-0.6 -7,-0.1 -10,-0.1 -0.933 19.1-159.4-102.8 110.5 7.0 15.9 -12.0 95 138 A I - 0 0 3 -12,-0.7 2,-0.4 -2,-0.7 -80,-0.2 -0.813 10.0-153.2-105.3 120.9 3.2 15.7 -12.4 96 139 A Q E -G 14 0B 21 -82,-3.0 -82,-2.6 -2,-0.6 2,-0.4 -0.745 13.7-164.3 -86.0 131.8 1.1 12.7 -11.5 97 140 A L E -G 13 0B 3 -2,-0.4 256,-3.1 -84,-0.2 257,-0.4 -0.975 6.4-174.5-121.3 133.5 -2.2 12.5 -13.4 98 141 A Y E -GH 12 352B 28 -86,-2.8 -86,-2.9 -2,-0.4 2,-1.3 -0.989 24.7-139.4-126.1 132.5 -5.0 10.2 -12.4 99 142 A K + 0 0 1 252,-2.9 2,-0.3 -2,-0.4 -88,-0.1 -0.759 65.2 112.0 -92.3 99.5 -8.2 9.7 -14.3 100 143 A N S S- 0 0 1 -2,-1.3 -88,-0.2 -90,-0.4 9,-0.1 -0.922 71.5-122.5-161.4 164.8 -10.5 9.7 -11.4 101 144 A N S S+ 0 0 0 -2,-0.3 8,-1.2 103,-0.2 2,-0.3 0.511 87.3 34.2-100.9 -3.6 -13.3 11.8 -9.8 102 145 A T B -I 108 0C 0 6,-0.2 6,-0.2 1,-0.1 -1,-0.2 -1.000 51.0-149.8-153.3 148.3 -11.8 12.5 -6.4 103 146 A D - 0 0 50 4,-1.5 5,-0.1 -2,-0.3 245,-0.1 0.332 49.8-122.2 -93.8 4.2 -8.5 13.1 -4.6 104 147 A N S S+ 0 0 18 3,-0.5 4,-0.1 1,-0.1 240,-0.0 0.674 96.2 99.3 58.6 17.6 -10.0 11.5 -1.5 105 148 A K S S- 0 0 186 2,-0.3 -1,-0.1 47,-0.0 3,-0.1 0.360 114.5 -87.7-102.1 -1.4 -9.2 14.8 0.2 106 149 A G S S+ 0 0 34 1,-0.4 2,-0.4 44,-0.3 45,-0.1 0.394 95.1 120.3 106.6 1.2 -12.8 15.9 -0.2 107 150 A A - 0 0 38 44,-0.1 -4,-1.5 43,-0.0 -3,-0.5 -0.813 42.1-166.8 -99.6 138.6 -12.3 17.4 -3.6 108 151 A S B -I 102 0C 23 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.965 7.4-175.5-132.1 118.2 -14.3 16.1 -6.6 109 152 A Y - 0 0 9 -8,-1.2 2,-0.2 -2,-0.4 -97,-0.1 -0.914 26.0-126.0-109.5 138.7 -13.7 16.8 -10.3 110 153 A G - 0 0 2 -2,-0.4 -100,-1.4 93,-0.1 2,-0.7 -0.466 8.5-143.2 -92.1 152.4 -16.1 15.5 -12.9 111 154 A C E -B 9 0A 0 91,-1.1 91,-0.3 89,-0.3 2,-0.3 -0.945 35.7-152.0-103.1 107.4 -15.8 13.4 -16.0 112 155 A H E -B 8 0A 3 -104,-3.2 -104,-2.6 -2,-0.7 2,-0.5 -0.585 12.3-159.8 -90.7 140.4 -18.4 15.0 -18.2 113 156 A E E -BF 7 199A 0 86,-2.6 86,-3.0 -2,-0.3 2,-0.4 -0.977 8.4-161.1-119.4 120.6 -20.4 13.3 -20.9 114 157 A N E -BF 6 198A 19 -108,-3.2 -108,-1.9 -2,-0.5 2,-0.4 -0.842 7.9-174.3-102.7 135.0 -22.0 15.4 -23.6 115 158 A Y E -BF 5 197A 1 82,-1.9 82,-3.4 -2,-0.4 2,-0.6 -0.983 23.4-129.6-127.9 141.2 -24.8 14.1 -25.8 116 159 A L E + F 0 196A 13 -112,-2.9 -112,-0.4 -2,-0.4 2,-0.3 -0.802 37.0 172.9 -88.7 119.3 -26.5 15.7 -28.8 117 160 A M E - 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0 0 49 -54,-2.0 -161,-0.6 -2,-0.4 2,-0.4 -0.757 28.2-153.9 -82.2 122.2 -11.2 -6.6 -21.4 371 414 A L - 0 0 75 -2,-0.6 3,-0.1 -163,-0.1 -164,-0.1 -0.814 16.6-166.0 -97.5 137.2 -10.3 -3.9 -23.9 372 415 A L S S+ 0 0 36 -2,-0.4 2,-0.3 -306,-0.1 -1,-0.1 0.569 78.6 33.5 -91.4 -13.1 -12.9 -2.7 -26.4 373 416 A V S S- 0 0 17 -304,-0.1 2,-0.3 -303,-0.0 -165,-0.1 -0.916 83.8-107.3-139.6 165.3 -10.2 -1.0 -28.6 374 417 A D >> - 0 0 88 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.717 19.7-129.7 -98.4 143.6 -6.6 -1.6 -29.6 375 418 A E H 3> S+ 0 0 61 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.791 109.7 62.2 -58.1 -28.9 -3.7 0.5 -28.4 376 419 A A H 3> S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 108.1 41.2 -63.5 -42.3 -2.7 0.9 -32.0 377 420 A A H <> S+ 0 0 23 -3,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.878 111.7 56.4 -70.5 -39.6 -5.9 2.8 -32.6 378 421 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.860 108.2 48.3 -60.7 -37.4 -5.6 4.6 -29.3 379 422 A R H >X S+ 0 0 139 -4,-2.3 3,-1.4 2,-0.2 4,-0.8 0.926 113.7 45.7 -66.5 -46.1 -2.2 5.9 -30.5 380 423 A T H 3X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.3 3,-0.4 0.865 105.3 61.7 -65.1 -35.5 -3.6 7.0 -33.8 381 424 A A H 3< S+ 0 0 2 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.498 94.4 66.8 -70.6 -4.4 -6.6 8.5 -32.1 382 425 A M H <4 S+ 0 0 15 -3,-1.4 -338,-0.4 -5,-0.2 -1,-0.2 0.917 119.7 15.6 -79.2 -49.4 -4.1 10.8 -30.4 383 426 A H H < S+ 0 0 101 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.563 121.5 73.2 -95.7 -11.9 -3.1 12.7 -33.5 384 427 A E < - 0 0 98 -4,-2.5 -340,-0.2 -5,-0.2 -1,-0.1 -0.906 68.3-150.4-115.7 120.5 -6.0 11.6 -35.7 385 428 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -340,-0.2 -0.122 35.0 -78.2 -76.8 176.7 -9.6 12.8 -35.3 386 429 A P - 0 0 0 0, 0.0 3,-0.4 0, 0.0 6,-0.3 -0.527 30.0-150.1 -70.8 140.6 -12.9 11.1 -36.0 387 430 A N S S+ 0 0 63 -2,-0.2 49,-3.4 1,-0.2 50,-0.5 0.703 92.3 58.1 -83.1 -21.9 -13.9 11.0 -39.7 388 431 A D S S+ 0 0 59 47,-0.2 2,-0.3 48,-0.1 -1,-0.2 0.382 103.4 58.7 -93.1 3.8 -17.6 11.1 -39.0 389 432 A T S > S- 0 0 0 -3,-0.4 3,-2.6 45,-0.1 4,-0.4 -0.894 91.3-106.1-133.0 161.1 -17.6 14.3 -37.1 390 433 A R T 3> S+ 0 0 7 41,-3.2 4,-2.4 1,-0.3 3,-0.4 0.674 108.6 84.1 -57.0 -18.1 -16.7 18.0 -37.6 391 434 A A H 3> S+ 0 0 0 40,-0.3 4,-3.8 -330,-0.3 -1,-0.3 0.806 81.9 62.9 -54.0 -29.2 -13.7 17.1 -35.3 392 435 A Y H <> S+ 0 0 15 -3,-2.6 4,-2.9 -6,-0.3 5,-0.3 0.949 105.1 42.6 -61.1 -50.9 -12.2 15.9 -38.6 393 436 A F H > S+ 0 0 6 41,-1.7 4,-2.1 -4,-0.4 -2,-0.2 0.939 119.1 44.7 -62.0 -48.1 -12.2 19.4 -40.0 394 437 A R H X S+ 0 0 0 -4,-2.4 4,-2.0 40,-0.2 -2,-0.2 0.955 117.7 44.4 -59.3 -51.8 -11.0 20.9 -36.8 395 438 A G H X S+ 0 0 0 -4,-3.8 4,-2.1 1,-0.2 -2,-0.2 0.961 115.0 45.4 -60.1 -56.5 -8.4 18.3 -36.2 396 439 A R H X S+ 0 0 46 -4,-2.9 4,-3.0 -5,-0.3 5,-0.5 0.874 110.4 56.3 -56.7 -40.8 -7.0 18.2 -39.7 397 440 A C H X>S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 5,-0.6 0.936 107.6 46.8 -56.9 -50.6 -6.9 22.0 -39.9 398 441 A L H X5S+ 0 0 30 -4,-2.0 4,-0.7 3,-0.2 -1,-0.2 0.880 114.5 49.5 -61.1 -38.5 -4.8 22.3 -36.8 399 442 A A H <5S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.980 129.3 17.8 -63.5 -58.7 -2.4 19.7 -38.1 400 443 A K H <5S+ 0 0 93 -4,-3.0 3,-0.3 1,-0.1 -3,-0.2 0.924 142.8 25.6 -79.9 -48.9 -2.0 21.1 -41.6 401 444 A F H >X5S+ 0 0 1 -4,-2.5 3,-1.3 -5,-0.5 4,-1.1 0.347 84.1 114.0 -99.5 3.5 -3.1 24.7 -41.1 402 445 A G G >< - 0 0 10 -2,-0.5 3,-2.7 5,-0.4 5,-0.1 -0.800 25.5-115.2 -95.2 122.1 -4.6 34.8 -43.6 418 461 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.359 105.9 28.5 -55.1 127.8 -1.6 36.8 -44.4 419 462 A G T 3 S+ 0 0 86 1,-0.1 2,-0.6 -2,-0.1 3,-0.1 0.241 98.2 101.0 101.8 -10.9 -2.9 39.9 -46.2 420 463 A R < - 0 0 121 -3,-2.7 -3,-0.2 1,-0.1 -1,-0.1 -0.921 56.2-161.1-112.3 111.5 -6.2 39.9 -44.5 421 464 A D S S+ 0 0 175 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.1 0.739 76.0 64.3 -61.5 -25.1 -6.5 42.5 -41.6 422 465 A S S S- 0 0 77 -3,-0.1 -5,-0.4 -5,-0.1 2,-0.2 -0.814 91.5-111.4-105.8 142.1 -9.4 40.6 -40.1 423 466 A L - 0 0 82 -2,-0.4 2,-0.6 -7,-0.1 -7,-0.2 -0.496 30.1-132.3 -68.1 133.5 -9.4 37.1 -38.7 424 467 A Q E -O 415 0H 29 -9,-1.9 -9,-2.7 -2,-0.2 2,-0.6 -0.803 20.7-162.0 -93.0 118.0 -11.4 34.7 -40.9 425 468 A R E -O 414 0H 144 -2,-0.6 -11,-0.2 -11,-0.3 -9,-0.0 -0.881 12.8-174.2-105.2 115.5 -13.8 32.5 -38.9 426 469 A V E -O 413 0H 32 -13,-2.0 -13,-2.0 -2,-0.6 2,-0.2 -0.908 23.6-147.8-101.2 105.1 -15.3 29.3 -40.3 427 470 A P E -O 412 0H 54 0, 0.0 2,-0.9 0, 0.0 -15,-0.4 -0.482 9.3-151.1 -71.9 135.4 -17.8 28.2 -37.7 428 471 A T + 0 0 11 -17,-1.6 -16,-0.0 -2,-0.2 -2,-0.0 -0.874 38.0 150.3-102.0 95.3 -18.3 24.5 -37.3 429 472 A L + 0 0 84 -2,-0.9 -239,-0.6 1,-0.1 -1,-0.2 0.766 57.5 68.3 -88.3 -34.9 -21.9 24.7 -36.1 430 473 A E > - 0 0 43 -3,-0.2 3,-0.8 -241,-0.2 -1,-0.1 -0.813 63.7-166.5 -94.4 108.1 -22.9 21.3 -37.5 431 474 A P T 3 S+ 0 0 0 0, 0.0 -41,-3.2 0, 0.0 -40,-0.3 0.807 92.7 50.9 -60.6 -31.5 -21.1 18.5 -35.6 432 475 A L T 3 S+ 0 0 48 -43,-0.2 3,-0.3 -42,-0.1 2,-0.1 0.603 103.7 70.6 -86.3 -13.6 -22.1 16.1 -38.4 433 476 A R S < S+ 0 0 165 -3,-0.8 -40,-0.2 1,-0.2 3,-0.1 -0.439 78.5 50.5 -93.1 176.3 -20.7 18.4 -41.1 434 477 A G S S+ 0 0 11 -2,-0.1 -41,-1.7 1,-0.1 -40,-0.2 0.850 83.6 144.8 61.0 34.5 -17.0 19.1 -41.7 435 478 A T S >>S- 0 0 10 -3,-0.3 4,-2.3 -43,-0.2 5,-0.7 -0.244 70.8 -86.0 -90.9-175.2 -16.4 15.3 -41.7 436 479 A R H >5S+ 0 0 145 -49,-3.4 4,-0.7 1,-0.2 5,-0.3 0.866 130.7 46.9 -59.8 -36.9 -13.9 13.2 -43.8 437 480 A A H 45S+ 0 0 87 -50,-0.5 4,-0.4 3,-0.2 -1,-0.2 0.933 117.7 40.0 -71.2 -47.5 -16.5 13.0 -46.5 438 481 A H H 45S+ 0 0 95 1,-0.2 4,-0.3 2,-0.1 -2,-0.2 0.991 137.2 10.7 -67.6 -60.9 -17.4 16.7 -46.5 439 482 A V H X5S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.1 5,-0.3 0.459 100.4 99.9 -99.9 -2.6 -14.1 18.4 -46.1 440 483 A G H X> S+ 0 0 99 -4,-0.4 4,-2.5 -5,-0.3 3,-0.6 0.927 116.2 56.0 -62.0 -46.6 -10.8 16.1 -50.2 442 485 A L H 3> S+ 0 0 49 -4,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.886 107.6 48.6 -54.4 -43.3 -10.8 19.8 -49.7 443 486 A L H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.768 111.7 50.5 -70.6 -25.9 -8.3 19.6 -46.9 444 487 A D H << S+ 0 0 97 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.872 115.7 41.0 -76.9 -38.4 -6.1 17.3 -49.0 445 488 A R H < S+ 0 0 179 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.892 89.7 97.9 -78.3 -42.3 -6.1 19.7 -51.9 446 489 A C < - 0 0 3 -4,-2.6 3,-0.1 -5,-0.2 6,-0.0 -0.267 50.4-169.5 -57.0 123.3 -5.7 23.0 -50.2 447 490 A R S S+ 0 0 215 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.765 70.6 16.2 -81.6 -29.2 -2.1 24.1 -50.2 448 491 A S S > S- 0 0 31 1,-0.1 4,-1.9 -44,-0.0 -1,-0.1 -0.902 74.4-113.1-141.3 165.9 -2.7 27.0 -47.7 449 492 A A H > S+ 0 0 0 -2,-0.3 4,-3.9 2,-0.2 5,-0.3 0.920 118.9 54.0 -65.9 -45.4 -5.2 28.2 -45.2 450 493 A T H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 110.9 47.7 -55.0 -39.0 -6.0 31.3 -47.3 451 494 A E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 113.3 47.8 -68.8 -37.5 -6.7 28.8 -50.1 452 495 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.915 110.4 50.1 -69.4 -44.8 -8.8 26.7 -47.7 453 496 A V H X S+ 0 0 9 -4,-3.9 4,-2.1 1,-0.2 -2,-0.2 0.871 110.0 53.0 -60.9 -37.1 -10.8 29.8 -46.5 454 497 A A H < S+ 0 0 60 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.934 107.2 50.4 -63.1 -48.3 -11.4 30.7 -50.1 455 498 A A H < S+ 0 0 54 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.1 46.1 -57.5 -41.3 -12.8 27.2 -50.9 456 499 A L H < 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 360.0 360.0 -72.1 -35.2 -15.2 27.4 -48.0 457 500 A T < 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.361 360.0 360.0 -85.4 360.0 -16.2 31.0 -48.9