==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-08 3DZG . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,I.A.KRIKSUNOV,H.JIANG,R.GRAEFF,H.LIN,H.C.LEE,Q.HAO . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 67.3 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 . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 37 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 30.6 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 1 1 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 . 1 3 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 . 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 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 0 185 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.0 21.2 -20.9 15.1 2 46 A W + 0 0 197 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.468 360.0 35.8 -94.4 -7.4 23.1 -17.9 16.5 3 47 A R - 0 0 148 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.896 68.7-150.3-150.8 121.1 23.6 -15.7 13.4 4 48 A Q - 0 0 73 -2,-0.3 124,-0.0 2,-0.1 -2,-0.0 -0.417 22.3-122.6 -90.1 164.3 21.3 -15.2 10.4 5 49 A T S S+ 0 0 99 -2,-0.1 2,-0.2 123,-0.1 -1,-0.1 0.911 94.5 34.4 -66.5 -44.9 22.1 -14.4 6.8 6 50 A W S S- 0 0 52 2,-0.2 -2,-0.1 124,-0.1 4,-0.1 -0.681 75.2-127.2-114.8 166.3 20.1 -11.2 6.7 7 51 A S S S+ 0 0 72 -2,-0.2 -1,-0.1 124,-0.1 -3,-0.0 0.612 83.0 75.2 -90.5 -13.0 19.2 -8.5 9.2 8 52 A G E S-A 129 0A 10 121,-1.5 121,-1.1 1,-0.1 -2,-0.2 -0.513 93.2 -80.6 -95.0 164.2 15.4 -8.6 8.8 9 53 A P E -A 128 0A 102 0, 0.0 119,-0.2 0, 0.0 120,-0.2 -0.285 51.1-114.7 -54.1 145.5 12.8 -11.0 10.1 10 54 A G - 0 0 16 117,-0.6 116,-0.3 116,-0.3 119,-0.2 -0.105 52.0 -52.9 -76.1 177.7 12.3 -14.2 8.0 11 55 A T - 0 0 7 114,-2.6 104,-0.3 117,-0.3 -1,-0.2 -0.228 68.0 -95.6 -55.4 138.0 9.3 -15.3 6.0 12 56 A T > - 0 0 39 102,-2.5 3,-1.3 1,-0.1 -1,-0.1 -0.273 52.0 -94.7 -55.1 133.9 6.0 -15.3 8.0 13 57 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.219 108.4 7.9 -55.2 140.3 5.2 -18.7 9.3 14 58 A R T 3> S+ 0 0 163 -3,-0.1 4,-2.5 3,-0.1 -1,-0.3 0.825 81.6 163.1 54.1 37.6 2.9 -20.8 6.9 15 59 A F H <> + 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.901 67.9 49.9 -53.2 -47.9 3.2 -18.0 4.3 16 60 A P H > S+ 0 0 29 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.920 114.8 44.4 -58.9 -44.6 2.0 -20.2 1.4 17 61 A E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.853 113.8 50.6 -65.8 -39.8 -1.1 -21.3 3.3 18 62 A T H X S+ 0 0 42 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.909 112.1 45.8 -66.2 -46.5 -1.8 -17.8 4.6 19 63 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.916 114.3 48.2 -65.3 -44.1 -1.6 -16.2 1.2 20 64 A L H X S+ 0 0 53 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.933 113.5 48.3 -59.8 -46.6 -3.8 -18.9 -0.4 21 65 A A H X S+ 0 0 56 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.898 109.3 51.2 -62.0 -45.4 -6.3 -18.6 2.4 22 66 A R H X S+ 0 0 59 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.892 108.9 53.2 -60.2 -37.3 -6.4 -14.9 2.1 23 67 A a H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 109.9 46.1 -65.4 -46.1 -7.0 -15.3 -1.6 24 68 A V H X S+ 0 0 63 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.980 116.1 46.9 -54.2 -62.1 -10.1 -17.7 -1.0 25 69 A K H X S+ 0 0 119 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.846 114.2 46.6 -46.5 -46.4 -11.5 -15.4 1.7 26 70 A Y H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.927 114.2 46.4 -66.3 -44.4 -11.1 -12.2 -0.5 27 71 A T H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.744 110.6 53.4 -72.6 -24.2 -12.5 -13.8 -3.6 28 72 A E H < S+ 0 0 149 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.872 116.8 39.4 -70.7 -39.1 -15.6 -15.2 -1.7 29 73 A I H < S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.887 110.2 57.7 -80.1 -43.4 -16.3 -11.8 -0.3 30 74 A H >< - 0 0 55 -4,-2.8 3,-2.2 -5,-0.2 4,-0.2 -0.806 65.8-161.7 -99.9 107.5 -15.7 -9.5 -3.3 31 75 A P G > S+ 0 0 77 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.774 86.9 63.7 -62.4 -28.4 -17.8 -10.5 -6.2 32 76 A E G 3 S+ 0 0 92 1,-0.3 3,-0.2 2,-0.1 40,-0.1 0.699 111.8 38.8 -67.8 -16.7 -15.7 -8.7 -8.8 33 77 A M G X S+ 0 0 5 -3,-2.2 3,-1.4 -7,-0.2 -1,-0.3 0.234 82.1 112.2-114.0 8.8 -12.9 -11.1 -7.9 34 78 A R T < S+ 0 0 188 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.621 77.8 51.0 -55.1 -22.4 -15.1 -14.2 -7.5 35 79 A H T 3 S+ 0 0 150 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.621 78.3 119.9 -96.3 -18.7 -13.5 -15.9 -10.5 36 80 A V < - 0 0 20 -3,-1.4 2,-0.8 1,-0.1 3,-0.1 -0.170 63.6-131.3 -48.3 135.3 -9.9 -15.4 -9.6 37 81 A D > - 0 0 90 1,-0.2 4,-2.0 31,-0.1 3,-0.4 -0.847 14.3-160.7 -93.8 113.9 -8.1 -18.8 -9.3 38 82 A a H > S+ 0 0 13 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.791 87.9 59.0 -71.3 -25.9 -6.2 -18.7 -6.1 39 83 A Q H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.4 47.2 -61.0 -40.4 -3.8 -21.5 -7.0 40 84 A S H > S+ 0 0 49 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.915 110.3 52.4 -68.6 -42.8 -2.7 -19.4 -10.0 41 85 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 111.4 46.2 -57.6 -49.7 -2.3 -16.3 -7.8 42 86 A W H X S+ 0 0 18 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.938 112.1 51.0 -59.4 -44.3 -0.1 -18.2 -5.3 43 87 A D H X S+ 0 0 72 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 112.8 45.6 -60.3 -41.4 2.0 -19.7 -8.2 44 88 A A H X S+ 0 0 14 -4,-2.5 4,-0.9 2,-0.2 21,-0.4 0.862 112.8 50.5 -69.6 -37.1 2.5 -16.2 -9.7 45 89 A F H >X S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 4,-0.5 0.960 113.2 46.7 -65.0 -49.9 3.3 -14.8 -6.2 46 90 A K H >X S+ 0 0 80 -4,-3.4 4,-2.9 1,-0.3 3,-1.6 0.896 106.1 59.0 -54.1 -45.5 5.8 -17.6 -5.6 47 91 A G H 3< S+ 0 0 39 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 94.5 66.4 -61.9 -24.9 7.3 -17.2 -9.1 48 92 A A H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 10,-0.2 0.791 123.3 5.9 -64.6 -32.8 8.2 -13.6 -8.2 49 93 A F H X< S+ 0 0 0 -3,-1.6 3,-1.4 -4,-0.5 68,-0.3 0.575 93.6 108.8-132.5 -18.2 10.8 -14.5 -5.5 50 94 A I T 3< S+ 0 0 24 -4,-2.9 72,-0.1 1,-0.3 3,-0.1 -0.474 94.6 7.9 -68.1 138.6 11.4 -18.3 -5.3 51 95 A S T 3 S+ 0 0 52 70,-0.7 69,-0.9 72,-0.4 2,-0.4 0.688 108.6 113.1 69.7 18.0 14.8 -19.3 -6.6 52 96 A K S < S- 0 0 66 -3,-1.4 65,-0.3 67,-0.2 -1,-0.2 -0.921 80.0-102.4-123.8 143.4 15.8 -15.7 -6.9 53 97 A H > - 0 0 76 -2,-0.4 3,-2.4 3,-0.2 65,-0.1 -0.552 31.2-135.5 -65.3 127.2 18.4 -13.8 -5.0 54 98 A P T 3 S+ 0 0 4 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.421 103.4 53.3 -75.5 4.7 16.4 -11.7 -2.5 55 99 A b T 3 S+ 0 0 29 84,-0.1 83,-0.3 1,-0.1 84,-0.2 0.198 103.5 59.8-110.4 15.5 18.5 -8.6 -3.2 56 100 A D < + 0 0 109 -3,-2.4 2,-0.3 81,-0.1 -3,-0.2 -0.128 69.4 135.6-134.1 39.7 17.9 -8.9 -6.9 57 101 A I - 0 0 1 81,-2.4 2,-0.3 -3,-0.2 -8,-0.1 -0.645 31.5-167.7 -91.7 142.9 14.1 -8.6 -7.2 58 102 A T >> - 0 0 39 -2,-0.3 3,-0.9 -10,-0.2 4,-0.6 -0.860 37.6-109.7-124.3 165.0 12.6 -6.4 -9.9 59 103 A E G >4 S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.2 4,-0.2 0.865 117.3 64.4 -61.1 -31.6 9.1 -5.1 -10.6 60 104 A E G >4 S+ 0 0 85 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.831 90.7 65.2 -60.3 -32.9 9.1 -7.4 -13.6 61 105 A D G <4 S+ 0 0 31 -3,-0.9 4,-0.3 1,-0.3 -1,-0.3 0.848 104.5 45.4 -57.5 -34.0 9.2 -10.4 -11.2 62 106 A Y G S+ 0 0 63 -3,-1.6 4,-2.6 -4,-0.2 5,-0.2 0.907 80.6 52.2 -67.1 -42.8 4.2 -8.8 -13.3 64 108 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 113.8 45.0 -54.5 -43.2 2.5 -12.2 -13.6 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.884 111.3 53.3 -65.4 -42.8 1.0 -11.6 -10.1 66 110 A M H < S+ 0 0 10 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.907 108.4 50.2 -58.1 -43.9 -0.0 -8.1 -11.0 67 111 A K H >< S+ 0 0 164 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.962 113.2 44.7 -61.1 -50.3 -1.8 -9.3 -14.1 68 112 A L H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 114.3 50.4 -62.1 -31.9 -3.7 -12.0 -12.1 69 113 A G T 3< S+ 0 0 6 -4,-2.2 37,-0.3 -5,-0.1 -1,-0.3 0.303 77.3 143.1 -91.4 8.7 -4.5 -9.4 -9.4 70 114 A T < + 0 0 104 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.1 -0.245 25.2 166.7 -49.7 126.8 -5.8 -6.8 -11.9 71 115 A Q - 0 0 41 2,-0.0 2,-0.4 33,-0.0 -2,-0.1 -0.981 37.4-125.8-154.9 135.1 -8.7 -5.1 -10.2 72 116 A T - 0 0 132 -2,-0.3 -40,-0.1 -40,-0.1 83,-0.0 -0.670 25.7-171.0 -80.2 129.5 -10.8 -2.0 -10.8 73 117 A V - 0 0 18 -2,-0.4 2,-0.4 82,-0.1 5,-0.1 -0.963 40.7 -98.8-116.6 136.4 -11.0 0.4 -7.7 74 118 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 25,-0.2 -0.464 39.0-147.0 -55.9 115.6 -13.4 3.3 -7.8 75 119 A c G > S+ 0 0 46 -2,-0.4 82,-2.4 1,-0.3 3,-0.6 0.751 89.3 51.4 -67.2 -24.8 -10.9 5.9 -8.8 76 120 A N G 3 S+ 0 0 70 1,-0.2 -1,-0.3 80,-0.2 83,-0.3 0.331 102.9 61.0 -93.2 9.6 -12.4 8.8 -6.9 77 121 A K G < + 0 0 90 -3,-1.8 22,-2.4 81,-0.1 2,-0.4 -0.066 68.9 136.5-125.6 27.0 -12.6 7.0 -3.6 78 122 A I B < -b 99 0B 0 -3,-0.6 83,-2.2 81,-0.3 2,-0.5 -0.675 33.8-164.2 -85.0 136.5 -9.0 6.2 -2.9 79 123 A L E -c 161 0C 0 20,-2.8 22,-0.4 -2,-0.4 83,-0.2 -0.973 6.9-170.1-118.1 111.1 -7.6 6.7 0.6 80 124 A L E -c 162 0C 5 81,-3.3 83,-2.2 -2,-0.5 2,-0.3 -0.520 6.2-170.2 -88.1 164.7 -3.8 6.7 0.8 81 125 A W E -c 163 0C 60 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.977 14.8-152.1-153.0 152.3 -2.1 6.7 4.3 82 126 A S E S-c 164 0C 7 81,-2.0 83,-0.7 -2,-0.3 -2,-0.0 -0.959 78.8 -26.6-133.2 118.1 1.4 7.1 5.5 83 127 A R S S+ 0 0 96 -2,-0.4 81,-0.1 81,-0.1 3,-0.0 0.737 122.5 83.4 53.1 29.0 2.5 5.4 8.7 84 128 A I > + 0 0 30 79,-0.2 4,-1.5 2,-0.0 3,-0.2 -0.229 42.8 143.1-151.7 53.4 -1.1 5.4 10.0 85 129 A K H > + 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.833 61.9 65.8 -73.2 -30.5 -2.8 2.3 8.5 86 130 A D H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.932 105.8 40.8 -59.8 -47.7 -4.9 1.3 11.5 87 131 A L H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 113.9 54.5 -67.2 -43.1 -7.1 4.4 11.5 88 132 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.942 112.8 43.6 -53.6 -48.8 -7.3 4.3 7.7 89 133 A H H X S+ 0 0 24 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.906 112.0 51.2 -64.3 -44.0 -8.5 0.7 7.8 90 134 A Q H X S+ 0 0 97 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.894 111.5 50.8 -57.7 -40.2 -11.0 1.4 10.7 91 135 A F H >X S+ 0 0 9 -4,-2.8 3,-1.4 1,-0.2 4,-0.6 0.941 109.9 45.7 -65.9 -51.1 -12.4 4.3 8.7 92 136 A T H 3X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.827 105.7 64.6 -67.5 -26.1 -13.0 2.4 5.4 93 137 A Q H 3< S+ 0 0 136 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.685 87.9 69.7 -64.7 -19.9 -14.5 -0.5 7.4 94 138 A V H << S- 0 0 48 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.961 131.9 -24.6 -67.2 -52.4 -17.5 1.5 8.6 95 139 A Q H < S- 0 0 91 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.186 86.0-103.6-151.5 19.2 -19.4 2.0 5.3 96 140 A R < + 0 0 183 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.863 62.4 155.2 58.9 43.1 -16.7 1.7 2.6 97 141 A D S S+ 0 0 65 -6,-0.4 2,-0.2 -5,-0.1 -5,-0.1 0.824 71.1 10.6 -67.1 -34.4 -16.7 5.5 2.0 98 142 A M S S- 0 0 23 -6,-0.1 2,-0.4 -7,-0.1 -20,-0.2 -0.854 72.6-127.0-138.1 174.8 -13.1 5.0 0.7 99 143 A F B -b 78 0B 53 -22,-2.4 -20,-2.8 -2,-0.2 2,-0.2 -0.994 16.6-163.5-127.6 126.1 -10.7 2.2 -0.4 100 144 A T > - 0 0 0 -2,-0.4 3,-2.1 -22,-0.2 4,-0.3 -0.542 42.3 -97.9 -95.5 174.5 -7.1 1.7 0.8 101 145 A L G > S+ 0 0 12 -22,-0.4 3,-1.6 1,-0.3 6,-0.6 0.849 125.2 59.8 -58.6 -29.0 -4.5 -0.4 -0.9 102 146 A E G 3 S+ 0 0 13 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.515 91.6 67.9 -84.0 -1.6 -5.3 -3.2 1.6 103 147 A D G < S+ 0 0 43 -3,-2.1 -1,-0.3 4,-0.1 2,-0.2 0.503 90.0 81.4 -84.4 -9.7 -8.9 -3.2 0.3 104 148 A T S <> S- 0 0 13 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 -0.597 95.3-111.0 -92.6 156.4 -7.6 -4.6 -3.0 105 149 A L H > S+ 0 0 0 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.948 116.1 45.5 -50.0 -51.5 -6.8 -8.3 -3.5 106 150 A L H > S+ 0 0 12 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.904 114.2 46.0 -68.4 -40.8 -3.1 -7.7 -3.7 107 151 A G H > S+ 0 0 0 -6,-0.6 4,-1.7 1,-0.2 -5,-0.2 0.906 113.3 51.4 -65.1 -38.8 -2.8 -5.4 -0.7 108 152 A Y H < S+ 0 0 68 -4,-2.7 -2,-0.2 -7,-0.4 -1,-0.2 0.895 107.7 53.2 -63.5 -40.6 -5.0 -7.8 1.3 109 153 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.905 119.2 31.7 -59.2 -42.9 -2.8 -10.8 0.4 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.6 -5,-0.2 -1,-0.2 0.574 81.3 128.6 -97.9 -15.0 0.4 -9.2 1.6 111 155 A D T 3< S- 0 0 25 -4,-1.7 3,-0.1 1,-0.3 -4,-0.0 -0.200 87.4 -1.9 -55.8 130.8 -0.6 -6.9 4.5 112 156 A D T 3 S+ 0 0 117 1,-0.2 -1,-0.3 -100,-0.0 2,-0.3 0.500 108.5 120.2 70.4 7.1 1.5 -7.6 7.6 113 157 A L < - 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0 0 20 -5,-1.9 3,-0.3 1,-0.1 -1,-0.2 -0.927 25.0-140.7-171.4 145.5 19.2 -4.1 0.2 137 181 A S S S+ 0 0 38 -2,-0.3 2,-1.2 1,-0.2 -5,-0.1 0.711 94.0 73.6 -80.3 -27.4 16.2 -2.2 -1.1 138 182 A N S S+ 0 0 39 -83,-0.3 -81,-2.4 4,-0.1 -1,-0.2 -0.297 71.2 133.9 -87.7 52.3 15.5 -4.6 -4.0 139 183 A N S > S- 0 0 6 -2,-1.2 4,-2.7 -3,-0.3 5,-0.4 -0.569 70.7-101.7-100.6 163.0 14.1 -7.3 -1.8 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.881 118.3 41.9 -54.2 -43.8 10.9 -9.3 -2.3 141 185 A V H > S+ 0 0 26 -26,-0.4 4,-2.4 2,-0.2 5,-0.2 0.951 116.7 45.0 -70.8 -48.5 8.7 -7.4 0.2 142 186 A S H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 114.1 49.0 -64.0 -40.2 9.9 -3.9 -0.7 143 187 A V H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.908 109.6 53.2 -67.6 -40.1 9.7 -4.4 -4.4 144 188 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 5,-0.3 0.963 111.7 44.7 -56.5 -51.8 6.2 -5.8 -4.1 145 189 A W H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.879 112.9 50.4 -66.4 -37.9 4.9 -2.8 -2.2 146 190 A K H X S+ 0 0 43 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.936 113.2 47.1 -63.1 -42.3 6.6 -0.4 -4.5 147 191 A T H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.932 117.1 40.2 -66.1 -48.7 5.1 -2.1 -7.5 148 192 A V H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.857 114.0 55.2 -69.5 -33.0 1.5 -2.4 -6.2 149 193 A S H X S+ 0 0 4 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.863 106.3 50.4 -69.0 -39.6 1.7 1.1 -4.7 150 194 A R H X S+ 0 0 45 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.942 111.7 48.3 -62.9 -44.5 2.6 2.8 -8.0 151 195 A R H X S+ 0 0 121 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.904 111.4 50.6 -62.4 -40.7 -0.2 1.0 -9.7 152 196 A F H >X S+ 0 0 11 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.932 110.9 47.5 -66.2 -43.6 -2.7 2.1 -7.0 153 197 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 34,-0.5 0.898 108.8 55.6 -63.1 -40.8 -1.6 5.7 -7.2 154 198 A E H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.710 102.5 58.5 -60.9 -22.8 -1.9 5.6 -11.0 155 199 A A H << S+ 0 0 32 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.639 85.4 104.5 -83.1 -16.7 -5.5 4.4 -10.6 156 200 A A << + 0 0 0 -3,-1.3 31,-0.4 -4,-0.6 2,-0.3 -0.285 42.2 168.5 -73.6 148.9 -6.6 7.5 -8.6 157 201 A c + 0 0 8 -82,-2.4 34,-0.3 2,-0.2 -79,-0.3 -0.927 46.8 7.7-143.3 173.8 -8.7 10.3 -10.0 158 202 A D E S+ d 0 191C 82 32,-2.8 34,-2.1 -2,-0.3 35,-1.9 -0.336 122.3 4.4 60.9-121.6 -10.7 13.4 -8.9 159 203 A V E S- d 0 193C 43 -83,-0.3 2,-0.4 33,-0.2 -81,-0.3 -0.876 70.4-168.7 -98.8 124.8 -10.1 13.9 -5.2 160 204 A V E - 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