==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-06 2HCT . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,I.A.KRIKSUNOV,Q.HAO,R.GRAEFF,H.C.LEE . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 47 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 3 0 4 0 0 2 2 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 0 0 2 2 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 A R 0 0 183 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 21.8 -21.0 14.5 2 46 A W + 0 0 210 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.366 360.0 51.3 -97.8 -3.9 22.7 -17.8 16.3 3 47 A R S S- 0 0 165 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.940 70.4-159.8-136.2 120.5 23.3 -15.8 13.2 4 48 A Q - 0 0 68 -2,-0.3 124,-0.1 2,-0.2 -2,-0.0 -0.305 28.1-114.8 -85.5 176.0 20.8 -15.6 10.3 5 49 A T S S+ 0 0 86 -2,-0.1 2,-0.2 123,-0.0 -1,-0.1 0.895 94.0 32.9 -79.7 -41.3 21.6 -14.5 6.7 6 50 A W S S- 0 0 58 2,-0.2 -2,-0.2 124,-0.1 4,-0.1 -0.611 74.7-124.9-115.9 172.6 19.7 -11.3 6.6 7 51 A S S S+ 0 0 72 -2,-0.2 3,-0.1 121,-0.1 -1,-0.1 0.558 82.8 81.8 -93.8 -14.6 18.7 -8.7 9.1 8 52 A G B S-A 129 0A 9 121,-1.8 121,-1.4 1,-0.1 -2,-0.2 -0.544 91.9 -88.2 -90.8 156.0 14.9 -8.8 8.6 9 53 A P - 0 0 100 0, 0.0 119,-0.2 0, 0.0 -1,-0.1 -0.305 52.8-111.3 -52.4 145.8 12.3 -11.2 10.1 10 54 A G - 0 0 16 117,-0.5 116,-0.3 116,-0.4 119,-0.2 -0.032 52.7 -51.5 -77.5-177.3 11.9 -14.4 8.0 11 55 A T - 0 0 6 114,-2.6 104,-0.3 117,-0.2 -1,-0.2 -0.252 68.7 -97.1 -61.8 138.8 8.9 -15.5 6.0 12 56 A T > - 0 0 45 102,-2.7 3,-1.1 -3,-0.1 -1,-0.1 -0.321 51.6 -98.0 -55.2 133.7 5.6 -15.5 7.9 13 57 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.249 108.3 14.9 -57.9 144.7 4.9 -19.0 9.1 14 58 A R T 3> S+ 0 0 175 -3,-0.1 4,-3.1 3,-0.1 -1,-0.3 0.805 80.1 160.9 55.6 35.4 2.5 -20.9 6.9 15 59 A F H <> + 0 0 0 -3,-1.1 4,-2.8 1,-0.2 5,-0.3 0.904 68.7 48.3 -49.6 -55.0 2.9 -18.3 4.1 16 60 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.935 116.6 42.2 -52.5 -50.6 1.6 -20.5 1.3 17 61 A E H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.869 115.0 51.0 -69.0 -38.7 -1.5 -21.6 3.2 18 62 A T H X S+ 0 0 41 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.936 112.3 44.9 -64.6 -49.4 -2.1 -18.1 4.5 19 63 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.944 115.3 49.3 -58.8 -48.7 -1.9 -16.4 1.1 20 64 A L H X S+ 0 0 57 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.900 112.5 45.6 -59.6 -46.8 -4.1 -19.2 -0.4 21 65 A A H X S+ 0 0 61 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.885 111.6 53.4 -63.8 -39.4 -6.8 -18.9 2.3 22 66 A R H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 108.6 50.5 -60.6 -40.9 -6.7 -15.1 2.0 23 67 A a H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.937 112.0 46.5 -61.9 -50.8 -7.3 -15.5 -1.7 24 68 A V H X S+ 0 0 61 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.979 114.1 47.8 -51.1 -58.0 -10.3 -17.9 -1.1 25 69 A K H X S+ 0 0 123 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.887 114.3 46.6 -53.9 -45.4 -11.8 -15.6 1.5 26 70 A Y H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.912 112.9 47.5 -62.1 -47.8 -11.4 -12.5 -0.7 27 71 A T H < S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.6 51.7 -71.9 -24.5 -12.8 -14.1 -3.8 28 72 A E H < S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 116.8 39.8 -72.7 -38.7 -15.8 -15.5 -1.9 29 73 A I H < S+ 0 0 110 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.910 109.9 58.3 -79.8 -44.0 -16.5 -12.1 -0.4 30 74 A H >< - 0 0 52 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 -0.789 65.9-162.1 -99.6 109.7 -15.9 -9.8 -3.4 31 75 A P G > S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.797 85.8 62.3 -65.6 -32.0 -18.1 -10.8 -6.4 32 76 A E G 3 S+ 0 0 83 1,-0.3 3,-0.4 2,-0.1 -5,-0.1 0.799 104.2 51.0 -62.2 -29.7 -16.1 -8.9 -9.1 33 77 A M G X S+ 0 0 3 -3,-1.1 3,-0.8 -7,-0.2 -1,-0.3 0.097 77.1 112.0 -93.9 21.9 -13.2 -11.2 -8.2 34 78 A R T < + 0 0 177 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.733 69.1 58.4 -66.8 -27.6 -15.2 -14.5 -8.5 35 79 A H T 3 S+ 0 0 146 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.746 79.8 117.7 -73.9 -22.5 -13.5 -15.8 -11.7 36 80 A V < - 0 0 18 -3,-0.8 2,-0.7 1,-0.1 3,-0.1 -0.221 58.3-145.8 -62.1 121.4 -10.1 -15.8 -10.0 37 81 A D > - 0 0 93 1,-0.1 4,-1.6 -2,-0.1 -1,-0.1 -0.793 8.8-159.2 -81.8 116.8 -8.4 -19.1 -9.6 38 82 A a H > S+ 0 0 16 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.808 87.1 58.6 -75.6 -29.3 -6.5 -18.9 -6.4 39 83 A Q H > S+ 0 0 89 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.911 107.7 48.5 -64.0 -42.3 -4.0 -21.7 -7.1 40 84 A S H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.894 109.5 52.7 -62.1 -39.7 -2.9 -19.7 -10.1 41 85 A V H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.968 112.0 45.6 -61.3 -48.0 -2.6 -16.6 -8.0 42 86 A W H X S+ 0 0 20 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.918 110.8 54.1 -58.2 -44.8 -0.5 -18.6 -5.6 43 87 A D H X S+ 0 0 76 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.921 112.2 43.0 -55.0 -49.2 1.5 -20.0 -8.5 44 88 A A H X S+ 0 0 15 -4,-2.7 4,-1.0 2,-0.2 21,-0.4 0.807 112.2 53.2 -69.3 -33.1 2.3 -16.5 -9.9 45 89 A F H >X S+ 0 0 0 -4,-2.1 3,-0.7 -5,-0.2 4,-0.7 0.951 111.7 46.0 -66.0 -52.2 3.1 -15.1 -6.4 46 90 A K H >X S+ 0 0 77 -4,-2.8 4,-2.8 1,-0.2 3,-1.4 0.916 107.1 59.4 -47.5 -52.3 5.6 -17.9 -5.8 47 91 A G H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.8 64.1 -55.4 -28.7 7.1 -17.4 -9.3 48 92 A A H << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 10,-0.2 0.848 124.1 6.5 -65.4 -32.8 8.0 -13.8 -8.4 49 93 A F H X< S+ 0 0 0 -3,-1.4 3,-1.3 -4,-0.7 68,-0.4 0.582 93.6 107.6-132.0 -15.5 10.5 -14.7 -5.7 50 94 A I T 3< S+ 0 0 25 -4,-2.8 72,-0.2 1,-0.2 3,-0.1 -0.498 96.1 5.3 -71.1 139.2 11.2 -18.5 -5.4 51 95 A S T 3 S+ 0 0 56 70,-0.8 2,-0.3 67,-0.4 -1,-0.2 0.624 108.6 112.2 62.2 17.6 14.6 -19.5 -6.7 52 96 A K S < S- 0 0 69 -3,-1.3 65,-0.2 69,-0.1 -1,-0.2 -0.881 82.0 -98.4-119.0 146.9 15.5 -15.8 -7.2 53 97 A H > - 0 0 79 -2,-0.3 3,-3.0 3,-0.2 65,-0.1 -0.517 30.5-136.7 -65.3 125.2 18.1 -13.9 -5.2 54 98 A P T 3 S+ 0 0 4 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.496 104.3 51.7 -73.3 2.3 16.1 -12.0 -2.6 55 99 A b T 3 S+ 0 0 29 84,-0.1 83,-0.3 1,-0.1 84,-0.1 0.233 104.5 59.0-107.5 9.8 18.2 -8.9 -3.3 56 100 A D < + 0 0 102 -3,-3.0 2,-0.3 80,-0.1 -3,-0.2 -0.140 69.6 139.8-127.9 39.7 17.6 -9.0 -7.0 57 101 A I - 0 0 1 81,-2.4 2,-0.3 -3,-0.2 -8,-0.1 -0.664 29.2-168.6 -86.6 137.7 13.8 -8.8 -7.3 58 102 A T >> - 0 0 22 -2,-0.3 3,-1.1 -10,-0.2 4,-0.6 -0.833 36.8-111.8-122.1 164.5 12.3 -6.7 -10.1 59 103 A E G >4 S+ 0 0 34 -2,-0.3 3,-1.2 1,-0.3 4,-0.2 0.845 117.9 63.2 -61.8 -31.8 8.8 -5.3 -10.9 60 104 A E G >4 S+ 0 0 105 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.837 91.3 66.1 -57.5 -34.5 8.8 -7.7 -13.9 61 105 A D G <4 S+ 0 0 31 -3,-1.1 -1,-0.3 1,-0.3 4,-0.2 0.814 106.4 41.8 -59.4 -29.1 9.0 -10.6 -11.4 62 106 A Y G S+ 0 0 73 -3,-1.7 4,-2.2 -4,-0.2 -1,-0.2 0.869 81.4 53.8 -63.9 -41.8 3.9 -8.9 -13.5 64 108 A P H > S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.896 112.6 46.1 -55.1 -41.7 2.3 -12.4 -13.8 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-1.9 -4,-0.2 -2,-0.2 0.921 109.9 53.4 -66.0 -43.5 0.7 -11.8 -10.4 66 110 A M H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.850 107.8 52.1 -58.7 -36.7 -0.3 -8.3 -11.3 67 111 A K H >< S+ 0 0 137 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.964 111.0 45.0 -65.3 -51.5 -2.1 -9.7 -14.4 68 112 A L H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 113.8 52.0 -64.0 -25.9 -4.1 -12.3 -12.4 69 113 A G T 3< S+ 0 0 3 -4,-1.9 37,-0.3 -5,-0.1 -1,-0.3 0.227 74.1 145.9 -97.0 11.2 -4.9 -9.6 -9.8 70 114 A T < + 0 0 85 -3,-1.7 2,-0.3 -5,-0.1 -3,-0.1 -0.305 24.3 171.7 -47.4 122.9 -6.2 -7.1 -12.3 71 115 A Q - 0 0 34 2,-0.0 2,-0.6 33,-0.0 -2,-0.1 -0.976 33.0-135.8-148.5 126.7 -9.0 -5.3 -10.4 72 116 A T - 0 0 137 -2,-0.3 -40,-0.1 -40,-0.1 -2,-0.0 -0.756 27.3-174.6 -82.8 122.3 -11.2 -2.2 -11.2 73 117 A V - 0 0 18 -2,-0.6 2,-0.4 79,-0.1 5,-0.1 -0.930 41.4 -93.9-117.5 140.2 -11.5 0.0 -8.2 74 118 A P > - 0 0 55 0, 0.0 3,-1.9 0, 0.0 25,-0.2 -0.383 39.9-153.5 -54.9 108.9 -13.8 3.2 -8.0 75 119 A c G > S+ 0 0 45 -2,-0.4 82,-2.4 1,-0.3 3,-0.6 0.738 88.9 52.7 -69.0 -25.7 -11.1 5.7 -9.0 76 120 A N G 3 S+ 0 0 71 80,-0.2 -1,-0.3 1,-0.2 83,-0.2 0.346 103.5 60.7 -85.7 4.9 -12.7 8.7 -7.2 77 121 A K G < S+ 0 0 67 -3,-1.9 22,-2.5 20,-0.1 2,-0.4 0.041 71.4 137.8-122.4 24.9 -12.9 6.7 -3.9 78 122 A I B < -b 99 0B 0 -3,-0.6 83,-2.0 79,-0.3 2,-0.5 -0.588 32.5-166.7 -84.3 129.0 -9.2 6.0 -3.2 79 123 A L E -c 161 0C 0 20,-3.0 22,-0.4 -2,-0.4 83,-0.2 -0.964 6.8-174.7-113.9 111.9 -7.7 6.4 0.3 80 124 A L E -c 162 0C 19 81,-3.1 83,-1.8 -2,-0.5 2,-0.3 -0.525 8.0-174.0 -88.2 165.4 -3.9 6.3 0.5 81 125 A W E -c 163 0C 60 81,-0.2 2,-0.4 -2,-0.2 97,-0.2 -0.986 19.3-151.2-155.9 165.1 -2.1 6.4 3.9 82 126 A S E S-c 164 0C 7 81,-1.7 2,-2.0 -2,-0.3 83,-0.8 -0.977 76.5 -30.4-142.7 122.4 1.3 6.6 5.4 83 127 A R S S+ 0 0 101 -2,-0.4 2,-1.1 1,-0.2 3,-0.2 0.006 114.2 91.6 66.3 -32.9 2.2 5.1 8.8 84 128 A I > + 0 0 35 -2,-2.0 4,-1.3 79,-0.3 3,-0.2 -0.338 48.2 151.1 -97.5 55.6 -1.3 5.4 10.2 85 129 A K H > + 0 0 39 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.846 58.4 54.1 -51.2 -55.0 -2.6 2.0 9.1 86 130 A D H > S+ 0 0 114 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 108.0 45.8 -63.5 -45.2 -5.3 1.1 11.6 87 131 A L H > S+ 0 0 12 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.893 109.7 58.2 -62.1 -40.5 -7.5 4.2 11.4 88 132 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.972 113.7 37.4 -53.7 -51.5 -7.3 3.9 7.6 89 133 A H H X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 115.3 51.6 -71.9 -41.4 -8.8 0.4 7.7 90 134 A Q H X S+ 0 0 98 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.913 111.0 51.6 -59.5 -42.6 -11.2 1.0 10.5 91 135 A F H >X S+ 0 0 8 -4,-3.1 4,-3.5 -5,-0.2 3,-1.0 0.950 111.4 44.3 -54.4 -56.2 -12.5 4.0 8.5 92 136 A T H 3< S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.791 104.3 65.2 -64.2 -25.6 -13.0 2.0 5.3 93 137 A Q H 3< S+ 0 0 146 -4,-2.1 3,-0.2 -5,-0.2 -1,-0.2 0.749 117.9 26.6 -67.6 -27.1 -14.7 -0.8 7.2 94 138 A V H << S+ 0 0 56 -3,-1.0 2,-2.4 -4,-0.8 -2,-0.2 0.814 124.4 50.1 -92.7 -57.1 -17.5 1.6 8.1 95 139 A Q S >< S+ 0 0 73 -4,-3.5 3,-0.8 1,-0.2 -1,-0.2 -0.465 72.9 174.1 -78.3 64.9 -17.1 3.9 5.1 96 140 A R T 3 + 0 0 197 -2,-2.4 -1,-0.2 1,-0.3 -4,-0.1 0.362 68.0 75.3 -62.2 11.5 -17.2 0.7 2.9 97 141 A D T 3 S+ 0 0 67 2,-0.0 -1,-0.3 0, 0.0 -5,-0.1 0.934 81.6 64.4 -83.9 -63.8 -17.2 3.3 0.2 98 142 A M S < S- 0 0 28 -3,-0.8 2,-0.4 -7,-0.1 -20,-0.2 -0.297 74.9-147.4 -65.6 151.4 -13.4 4.5 0.2 99 143 A F B -b 78 0B 37 -22,-2.5 -20,-3.0 -25,-0.2 2,-0.2 -0.982 10.2-164.0-124.5 127.5 -10.8 1.9 -0.7 100 144 A T > - 0 0 0 -2,-0.4 3,-1.5 -22,-0.2 4,-0.2 -0.588 44.0 -99.2 -93.2 170.6 -7.3 1.5 0.6 101 145 A L G > S+ 0 0 16 -22,-0.4 3,-1.8 1,-0.2 6,-0.6 0.861 124.6 60.3 -54.7 -32.8 -4.7 -0.7 -1.2 102 146 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.2 5,-0.2 9,-0.1 0.612 92.0 66.0 -79.4 -5.9 -5.5 -3.4 1.4 103 147 A D G < S+ 0 0 31 -3,-1.5 -1,-0.3 4,-0.1 2,-0.2 0.503 90.3 82.9 -88.4 -5.3 -9.1 -3.5 0.3 104 148 A T S <> S- 0 0 12 -3,-1.8 4,-2.6 -4,-0.2 5,-0.2 -0.608 94.5-110.7 -90.4 159.7 -7.9 -4.8 -3.1 105 149 A L H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 116.8 46.6 -50.9 -55.4 -7.2 -8.6 -3.7 106 150 A L H > S+ 0 0 6 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.904 115.4 43.2 -61.0 -47.0 -3.4 -8.0 -4.0 107 151 A G H > S+ 0 0 0 -6,-0.6 4,-2.0 1,-0.2 -5,-0.2 0.897 113.7 52.9 -63.3 -41.6 -3.0 -5.7 -0.9 108 152 A Y H < S+ 0 0 73 -4,-2.6 -2,-0.2 -7,-0.4 -1,-0.2 0.902 107.1 52.6 -58.3 -43.8 -5.3 -8.0 1.1 109 153 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.901 120.0 32.6 -58.1 -42.1 -3.2 -11.1 0.2 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 -2,-0.2 0.614 80.2 133.7 -97.0 -14.3 0.1 -9.4 1.3 111 155 A D T 3< S- 0 0 27 -4,-2.0 3,-0.1 1,-0.3 -3,-0.0 -0.092 87.5 -9.7 -47.2 121.5 -1.0 -7.2 4.2 112 156 A D T 3 S+ 0 0 111 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.684 106.3 126.1 62.8 19.9 1.4 -7.7 7.2 113 157 A L < - 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0 0 3 -5,-2.1 -1,-0.2 -6,-0.1 -34,-0.2 -0.999 58.3-116.0-129.5 130.3 5.8 -1.6 -42.1 481 272 B Q E -k 446 0G 123 -36,-2.5 -34,-2.5 -2,-0.4 2,-0.5 -0.354 27.3-142.2 -58.7 142.8 8.0 -4.1 -44.0 482 273 B F E +k 447 0G 33 -36,-0.2 2,-0.3 -2,-0.1 -34,-0.2 -0.953 20.6 177.1-114.7 121.4 10.9 -5.7 -41.9 483 274 B S E -k 448 0G 31 -36,-2.0 -34,-2.8 -2,-0.5 2,-0.4 -0.907 8.2-165.2-115.8 150.1 14.3 -6.3 -43.3 484 275 B k E -k 449 0G 30 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.999 4.9-174.5-138.8 138.3 17.2 -7.7 -41.3 485 276 B K E -k 450 0G 110 -36,-2.6 -34,-2.8 -2,-0.4 2,-0.6 -0.946 20.5-131.0-133.1 152.4 21.0 -7.9 -42.0 486 277 B N E -k 451 0G 30 -2,-0.3 2,-1.0 -36,-0.2 -34,-0.2 -0.913 8.2-161.4-104.8 110.9 24.0 -9.4 -40.3 487 278 B I E +k 452 0G 14 -36,-1.9 -34,-2.5 -2,-0.6 -37,-0.0 -0.841 19.6 173.9 -84.7 103.1 27.1 -7.2 -39.9 488 279 B Y + 0 0 118 -2,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.989 67.1 34.2 -76.6 -72.3 29.7 -10.0 -39.3 489 280 B R > - 0 0 23 1,-0.2 4,-3.1 -35,-0.1 -1,-0.3 -0.767 63.5-174.5 -84.7 99.8 33.1 -8.1 -39.2 490 281 B P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 88.8 53.9 -58.4 -33.3 32.3 -4.8 -37.5 491 282 B D H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.940 113.0 38.8 -60.7 -56.5 36.0 -4.0 -38.3 492 283 B K H > S+ 0 0 143 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.857 110.3 61.8 -65.1 -38.2 35.7 -4.8 -42.0 493 284 B F H X S+ 0 0 43 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.972 106.8 44.8 -48.2 -58.6 32.2 -3.2 -42.1 494 285 B L H X S+ 0 0 21 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.809 110.2 56.6 -55.2 -39.3 33.8 0.2 -41.1 495 286 B Q H X S+ 0 0 103 -4,-1.5 4,-3.4 2,-0.2 -1,-0.2 0.938 108.1 45.4 -55.1 -54.2 36.6 -0.4 -43.6 496 287 B l H < S+ 0 0 33 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.874 112.8 50.1 -63.6 -40.7 34.2 -0.7 -46.6 497 288 B V H < S+ 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 115.3 44.9 -60.9 -44.0 32.2 2.3 -45.5 498 289 B K H < S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.930 125.6 29.1 -66.4 -49.3 35.4 4.3 -45.2 499 290 B N S < S- 0 0 50 -4,-3.4 -1,-0.3 3,-0.2 3,-0.2 -0.915 73.6-153.0-120.8 104.1 36.9 3.0 -48.5 500 291 B P S S+ 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.489 86.8 20.8 -62.4 143.7 34.6 2.0 -51.4 501 292 B E S S+ 0 0 89 -2,-0.1 3,-0.0 1,-0.1 -5,-0.0 0.990 101.3 103.4 50.7 76.3 36.4 -0.5 -53.6 502 293 B D + 0 0 41 -3,-0.2 2,-0.3 0, 0.0 -3,-0.2 -0.234 68.4 16.7 173.6 82.1 38.9 -1.7 -50.9 503 294 B S S S- 0 0 70 1,-0.1 -11,-0.0 2,-0.1 0, 0.0 -0.989 104.9 -48.5 146.9-152.7 38.5 -4.9 -49.0 504 295 B S 0 0 81 -2,-0.3 -1,-0.1 -12,-0.0 -12,-0.0 0.602 360.0 360.0 -92.2 -14.6 36.6 -8.2 -49.4 505 296 B l 0 0 119 -13,-0.1 -2,-0.1 -3,-0.1 -12,-0.0 0.960 360.0 360.0 -72.1 360.0 33.3 -6.3 -50.0