==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 28-MAR-11 3RAJ . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,H.C.LEE,Q.HAO . 653 4 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 2 0.3 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 . 67 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 4 0 2 1 0 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 0 0 0 1 0 1 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 . 9 6 6 4 4 3 2 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 . 4 5 3 0 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 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 50 A W 0 0 123 0, 0.0 4,-0.1 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 141.7 -2.4 45.5 26.2 2 51 A S + 0 0 68 121,-0.1 121,-0.0 2,-0.1 127,-0.0 0.563 360.0 70.7 -85.2 -11.3 -4.9 46.4 23.4 3 52 A G E S-A 124 0A 8 121,-2.2 121,-2.3 1,-0.1 123,-0.1 -0.636 95.6 -85.5-102.6 165.4 -2.5 48.0 21.0 4 53 A P E -A 123 0A 92 0, 0.0 119,-0.3 0, 0.0 118,-0.1 -0.362 48.7-115.1 -66.6 146.9 0.3 46.4 18.9 5 54 A G - 0 0 11 117,-0.8 116,-0.2 116,-0.3 119,-0.2 -0.315 51.5 -51.9 -83.6 167.1 3.6 45.9 20.5 6 55 A T - 0 0 4 114,-1.7 104,-0.3 117,-0.3 -1,-0.2 -0.002 68.5-103.6 -37.5 126.5 7.0 47.4 19.8 7 56 A T - 0 0 32 102,-1.9 3,-0.3 -3,-0.1 -1,-0.1 -0.361 50.9 -88.2 -62.8 131.4 7.8 47.0 16.1 8 57 A K S S+ 0 0 158 1,-0.2 5,-0.2 -3,-0.1 -1,-0.1 0.245 108.7 12.0 -45.5 158.2 10.4 44.2 15.4 9 58 A R S > S+ 0 0 156 3,-0.1 4,-2.3 -3,-0.1 3,-0.2 0.881 85.8 163.8 35.0 42.9 14.1 44.8 15.5 10 59 A F H > + 0 0 0 -3,-0.3 4,-2.6 1,-0.2 3,-0.3 0.939 67.1 41.0 -51.4 -57.2 13.1 48.1 17.0 11 60 A P H > S+ 0 0 34 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.722 114.9 56.1 -68.7 -17.7 16.4 49.2 18.5 12 61 A E H > S+ 0 0 105 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.870 111.3 40.9 -80.2 -39.3 18.0 47.9 15.4 13 62 A T H X S+ 0 0 54 -4,-2.3 4,-2.2 -3,-0.3 5,-0.2 0.813 109.0 58.7 -80.1 -33.9 15.9 50.1 13.1 14 63 A V H X S+ 0 0 1 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.754 110.4 45.5 -68.0 -21.4 16.0 53.2 15.4 15 64 A L H X S+ 0 0 49 -4,-0.5 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.4 49.8 -83.8 -47.9 19.8 53.0 15.0 16 65 A A H X S+ 0 0 58 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.839 110.6 54.0 -59.2 -32.3 19.8 52.5 11.2 17 66 A R H X S+ 0 0 68 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.952 109.0 46.3 -65.6 -50.8 17.4 55.4 11.0 18 67 A a H X S+ 0 0 0 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.829 111.2 54.5 -60.6 -31.1 19.8 57.6 12.9 19 68 A V H >X S+ 0 0 66 -4,-2.4 3,-1.3 2,-0.2 4,-0.9 0.994 112.6 41.1 -62.4 -57.1 22.6 56.4 10.8 20 69 A K H >X S+ 0 0 105 -4,-2.4 4,-1.4 1,-0.3 3,-0.9 0.876 108.1 59.9 -60.0 -44.0 20.9 57.3 7.5 21 70 A Y H 3X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.3 -1,-0.3 0.770 106.4 50.0 -60.5 -21.6 19.6 60.6 8.8 22 71 A T H << S+ 0 0 13 -3,-1.3 6,-0.3 -4,-0.8 -1,-0.3 0.682 107.5 50.7 -97.0 -16.4 23.1 61.7 9.4 23 72 A E H << S+ 0 0 108 -4,-0.9 -2,-0.2 -3,-0.9 5,-0.1 0.961 118.0 38.9 -66.1 -74.2 24.6 60.8 6.0 24 73 A I H < S+ 0 0 94 -4,-1.4 -2,-0.2 1,-0.2 3,-0.2 0.742 119.9 47.0 -39.0 -42.8 21.8 62.7 4.1 25 74 A H S >X S+ 0 0 73 -4,-1.1 3,-1.6 -5,-0.3 4,-0.6 -0.694 70.8 172.4-111.4 79.3 21.7 65.6 6.6 26 75 A P T 34 + 0 0 68 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.829 66.6 74.9 -70.1 -30.2 25.4 66.3 6.9 27 76 A E T 34 S+ 0 0 188 -3,-0.2 -5,-0.1 1,-0.1 -3,-0.1 0.388 103.8 46.9 -67.8 12.4 25.0 69.4 9.0 28 77 A M T <4 + 0 0 16 -3,-1.6 2,-5.8 -6,-0.3 -1,-0.1 0.617 69.4 113.3-101.6 -89.2 24.2 66.9 11.7 29 78 A R < + 0 0 185 -4,-0.6 -2,-0.1 1,-0.3 -7,-0.1 0.034 58.5 86.3 53.7 -44.0 26.9 64.1 11.5 30 79 A H + 0 0 146 -2,-5.8 2,-0.3 -4,-0.2 -1,-0.3 0.306 68.9 116.5 -65.7 9.2 28.2 65.1 14.9 31 80 A V - 0 0 23 -13,-0.1 2,-1.4 1,-0.1 3,-0.1 -0.637 66.5-136.6 -97.1 138.3 25.6 62.9 16.5 32 81 A D >> - 0 0 92 -2,-0.3 4,-2.3 1,-0.2 3,-1.1 -0.587 15.8-165.4 -91.6 76.9 26.3 59.8 18.6 33 82 A a H 3> S+ 0 0 22 -2,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.719 88.9 47.4 -30.6 -37.6 23.8 57.3 17.1 34 83 A Q H 3> S+ 0 0 93 2,-0.2 4,-3.4 1,-0.2 -1,-0.3 0.949 110.5 49.1 -73.1 -46.0 24.4 55.0 20.1 35 84 A S H <> S+ 0 0 52 -3,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.818 112.5 50.9 -65.7 -28.6 24.1 57.8 22.7 36 85 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.960 113.5 43.3 -66.2 -55.0 20.9 58.9 21.0 37 86 A W H X S+ 0 0 16 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.853 112.7 53.4 -58.7 -36.4 19.6 55.3 21.1 38 87 A D H X S+ 0 0 67 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.885 110.4 47.5 -67.0 -37.7 20.8 54.9 24.6 39 88 A A H < S+ 0 0 16 -4,-1.7 4,-0.4 -5,-0.2 21,-0.4 0.863 112.8 47.9 -70.1 -41.8 18.9 58.1 25.6 40 89 A F H >< S+ 0 0 1 -4,-2.4 3,-2.2 1,-0.2 4,-0.5 0.985 112.0 49.2 -57.7 -62.8 15.7 57.0 23.8 41 90 A K H >X S+ 0 0 76 -4,-2.5 4,-1.8 1,-0.3 3,-1.1 0.811 106.6 57.2 -48.2 -40.2 15.8 53.5 25.4 42 91 A G T 3< S+ 0 0 46 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.603 92.0 70.3 -74.3 -10.6 16.3 54.9 28.8 43 92 A A T <4 S+ 0 0 1 -3,-2.2 -1,-0.2 -4,-0.4 10,-0.2 0.769 118.0 12.3 -76.0 -22.8 13.1 57.0 28.7 44 93 A F T <4 S+ 0 0 1 -3,-1.1 68,-0.5 -4,-0.5 2,-0.3 0.526 96.0 94.5-138.8 -11.7 10.8 54.0 28.9 45 94 A I S < S+ 0 0 29 -4,-1.8 69,-0.2 1,-0.2 3,-0.1 -0.720 100.5 21.2 -78.4 142.2 12.5 50.7 29.8 46 95 A S S S+ 0 0 65 67,-1.8 2,-0.4 -2,-0.3 -1,-0.2 0.112 110.4 98.0 86.8 -23.7 12.1 50.2 33.6 47 96 A K S S- 0 0 53 -3,-0.3 65,-0.3 66,-0.2 -1,-0.3 -0.797 84.5-113.5 -97.0 141.1 9.2 52.6 33.4 48 97 A H > - 0 0 59 -2,-0.4 3,-2.8 3,-0.2 2,-1.1 -0.662 28.5-123.0 -76.2 123.1 5.7 51.4 33.3 49 98 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.236 108.8 53.1 -60.7 13.7 4.2 52.3 29.9 50 99 A b T 3 S+ 0 0 25 -2,-1.1 83,-0.2 84,-0.1 84,-0.2 0.267 104.4 56.6-120.5 9.2 1.3 54.3 31.5 51 100 A D S < S+ 0 0 90 -3,-2.8 2,-0.4 80,-0.1 -3,-0.2 -0.217 70.3 134.3-136.4 33.2 3.5 56.5 33.6 52 101 A I - 0 0 4 81,-1.2 2,-0.3 -5,-0.1 -8,-0.1 -0.754 34.9-162.0 -93.2 137.9 5.8 58.1 31.1 53 102 A T >> - 0 0 41 -2,-0.4 3,-0.7 -10,-0.2 4,-0.5 -0.778 34.3-111.7-116.7 161.4 6.4 61.9 31.5 54 103 A E T 34 S+ 0 0 60 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.716 115.3 66.0 -65.1 -15.6 7.8 64.5 29.1 55 104 A E T >4 S+ 0 0 134 1,-0.2 3,-3.8 2,-0.2 -1,-0.2 0.915 86.5 65.3 -71.9 -43.2 10.8 64.6 31.4 56 105 A D T <4 S+ 0 0 31 -3,-0.7 4,-0.3 1,-0.3 -1,-0.2 0.708 101.4 52.3 -53.3 -22.5 11.9 61.1 30.6 57 106 A Y T 3X S+ 0 0 1 -4,-0.5 4,-2.3 -3,-0.5 -1,-0.3 0.404 82.1 93.4 -93.9 1.0 12.6 62.3 27.1 58 107 A Q H <> S+ 0 0 92 -3,-3.8 4,-2.1 1,-0.2 5,-0.2 0.948 81.0 57.0 -60.1 -53.3 14.7 65.2 28.4 59 108 A P H > S+ 0 0 55 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.928 114.0 37.7 -27.2 -66.1 17.8 63.0 28.0 60 109 A L H > S+ 0 0 1 -21,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.741 108.8 61.6 -76.9 -23.9 17.1 62.4 24.3 61 110 A M H >X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 3,-1.2 0.978 99.5 56.7 -62.0 -52.1 15.8 65.9 23.5 62 111 A K H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.7 41.3 -44.8 -43.5 19.1 67.4 24.5 63 112 A L H 3< S+ 0 0 62 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.682 112.3 54.6 -80.8 -21.9 20.7 65.2 21.9 64 113 A G H << S+ 0 0 0 -4,-1.4 36,-0.3 -3,-1.2 -2,-0.2 0.726 76.0 141.7 -82.9 -23.3 18.0 65.7 19.3 65 114 A T < + 0 0 87 -4,-2.1 2,-0.3 -5,-0.1 -3,-0.1 0.240 26.3 159.7 -24.7 129.8 18.4 69.5 19.5 66 115 A Q - 0 0 42 34,-0.0 2,-0.4 33,-0.0 -1,-0.1 -0.851 38.6-117.3-152.8-179.4 18.0 70.9 16.0 67 116 A T - 0 0 127 -2,-0.3 83,-0.0 2,-0.0 0, 0.0 -0.983 29.6-164.6-135.5 138.2 17.2 74.0 14.0 68 117 A V - 0 0 36 -2,-0.4 2,-2.5 82,-0.1 5,-0.1 -0.949 37.9-103.1-133.5 147.5 14.3 74.4 11.6 69 118 A P > - 0 0 56 0, 0.0 3,-3.0 0, 0.0 25,-0.2 -0.435 45.0-168.7 -60.5 78.5 13.0 76.5 8.8 70 119 A c T 3 S+ 0 0 38 -2,-2.5 82,-3.2 1,-0.3 3,-0.4 0.630 78.9 51.2 -55.2 -16.2 10.7 78.1 11.3 71 120 A N T 3 S+ 0 0 81 1,-0.2 83,-0.3 80,-0.2 -1,-0.3 0.355 106.6 53.0-103.9 3.4 8.7 79.9 8.6 72 121 A K S < S+ 0 0 93 -3,-3.0 22,-2.5 81,-0.1 -1,-0.2 -0.023 83.4 138.9-126.6 23.4 8.1 76.8 6.5 73 122 A I E -b 94 0B 0 -3,-0.4 83,-2.2 81,-0.3 2,-0.4 -0.454 36.0-168.4 -87.4 146.1 6.6 74.7 9.3 74 123 A L E -bc 95 156B 6 20,-1.4 22,-0.6 81,-0.2 83,-0.2 -0.895 27.5-130.7-131.3 105.3 3.7 72.3 9.2 75 124 A L - 0 0 4 81,-2.2 2,-0.6 -2,-0.4 83,-0.5 0.032 25.0 -92.4 -63.9 157.0 2.5 71.1 12.7 76 125 A W + 0 0 17 81,-0.1 2,-0.4 64,-0.1 101,-0.2 -0.534 43.1 172.5 -70.4 111.9 1.8 67.6 13.9 77 126 A S - 0 0 11 -2,-0.6 82,-0.1 -3,-0.1 -3,-0.0 -0.895 51.2-104.9-109.2 148.6 -1.8 66.5 13.5 78 127 A R S S+ 0 0 164 -2,-0.4 2,-1.6 1,-0.2 3,-0.2 0.874 106.0 82.6 -39.5 -42.9 -2.3 62.9 14.3 79 128 A I > + 0 0 49 79,-0.2 4,-0.9 1,-0.2 -1,-0.2 -0.416 40.8 146.1 -80.2 81.5 -2.6 62.2 10.5 80 129 A K H > S+ 0 0 38 -2,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.686 71.8 56.5 -82.6 -21.1 0.8 61.9 9.0 81 130 A D H 4 S+ 0 0 109 2,-0.2 4,-0.2 -3,-0.2 -1,-0.1 0.920 105.3 48.5 -80.3 -40.9 -0.2 59.3 6.4 82 131 A L H >4 S+ 0 0 40 1,-0.2 3,-0.6 2,-0.1 -2,-0.2 0.887 117.0 43.6 -61.2 -37.8 -2.9 61.4 4.8 83 132 A A H >< S+ 0 0 8 -4,-0.9 3,-2.0 1,-0.2 7,-0.2 0.886 94.0 69.0 -84.8 -37.7 -0.7 64.4 4.5 84 133 A H T 3< S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.547 89.9 81.1 -56.0 0.8 2.7 63.1 3.3 85 134 A Q T < + 0 0 77 -3,-0.6 2,-0.5 -4,-0.2 -1,-0.3 0.587 69.4 79.6 -90.4 -14.3 0.6 62.5 0.2 86 135 A F X> - 0 0 40 -3,-2.0 3,-1.9 1,-0.1 4,-1.5 -0.865 69.0-144.1 -97.6 121.4 0.6 66.1 -1.4 87 136 A T H 3> S+ 0 0 101 -2,-0.5 4,-1.1 1,-0.3 5,-0.4 0.759 103.0 62.6 -56.1 -20.9 3.7 67.0 -3.4 88 137 A Q H 3> S+ 0 0 66 3,-0.2 4,-1.5 2,-0.1 -1,-0.3 0.873 106.4 43.9 -68.3 -36.1 3.0 70.5 -2.1 89 138 A V H <> S+ 0 0 1 -3,-1.9 4,-2.0 -6,-0.2 -2,-0.2 0.973 115.5 41.2 -73.7 -57.8 3.5 69.3 1.5 90 139 A Q H < S+ 0 0 102 -4,-1.5 3,-0.2 -7,-0.2 5,-0.2 0.971 124.6 39.5 -59.3 -54.7 6.5 67.2 1.3 91 140 A R H < S+ 0 0 167 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.947 123.8 32.6 -51.9 -67.0 8.3 69.6 -1.0 92 141 A D H < S+ 0 0 41 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.2 0.472 114.5 54.2 -85.0 -4.3 7.3 73.0 0.4 93 142 A M S < S- 0 0 12 -4,-2.0 2,-0.9 -3,-0.2 -20,-0.2 -0.953 70.5-120.7-142.4 166.9 7.1 72.3 4.1 94 143 A F E -b 73 0B 29 -22,-2.5 -20,-1.4 -2,-0.3 -4,-0.1 -0.765 25.8-163.3-105.1 89.4 8.8 70.9 7.1 95 144 A T E > -b 74 0B 24 -2,-0.9 3,-2.2 -5,-0.2 4,-0.4 -0.378 35.1-113.3 -65.0 147.3 6.9 68.0 8.8 96 145 A L T 3 S+ 0 0 3 -22,-0.6 6,-0.3 1,-0.3 3,-0.3 0.590 116.8 64.8 -55.4 -9.1 8.0 67.2 12.3 97 146 A E T 3 S+ 0 0 21 5,-0.2 -1,-0.3 1,-0.2 9,-0.1 0.159 85.7 66.1-110.2 16.2 9.3 64.0 10.8 98 147 A D S < S+ 0 0 57 -3,-2.2 -1,-0.2 4,-0.0 -2,-0.2 0.308 89.2 86.7-101.2 -7.0 11.9 65.6 8.7 99 148 A T S > S- 0 0 6 -4,-0.4 4,-2.0 -3,-0.3 5,-0.1 -0.351 97.4-106.8 -78.0 175.8 13.5 66.5 12.0 100 149 A L H > S+ 0 0 0 -36,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.996 115.7 38.2 -70.5 -63.4 15.8 64.0 13.5 101 150 A L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.924 117.1 52.7 -55.1 -47.6 13.8 62.6 16.3 102 151 A G H > S+ 0 0 0 -6,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.945 108.5 52.3 -50.5 -49.3 10.6 62.8 14.2 103 152 A Y H >< S+ 0 0 70 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.888 108.1 50.9 -52.9 -47.1 12.5 60.8 11.5 104 153 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 116.9 35.5 -64.0 -42.1 13.5 58.1 13.9 105 154 A A H >< S+ 0 0 1 -4,-1.9 3,-1.9 -3,-0.2 -1,-0.2 0.360 80.3 127.9-100.5 1.5 10.1 57.3 15.5 106 155 A D T << S+ 0 0 41 -4,-1.0 3,-0.1 -3,-0.5 -3,-0.0 -0.429 86.7 3.1 -60.9 131.3 7.8 57.8 12.4 107 156 A D T 3 S+ 0 0 97 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.550 106.0 122.1 67.1 12.8 5.6 54.7 12.0 108 157 A L < - 0 0 17 -3,-1.9 2,-0.4 -102,-0.0 -1,-0.2 -0.836 43.0-164.8-109.8 147.5 7.0 53.0 15.1 109 158 A T + 0 0 43 -2,-0.4 -102,-1.9 -104,-0.2 2,-0.3 -0.925 22.4 163.4-118.6 146.8 5.2 51.7 18.2 110 159 A W + 0 0 1 -2,-0.4 26,-0.4 -104,-0.3 2,-0.3 -0.987 11.0 148.8-163.2 151.1 7.2 50.9 21.3 111 160 A d - 0 0 0 -2,-0.3 9,-2.5 9,-0.2 -105,-0.3 -0.898 18.9-153.6-173.5 159.2 7.0 50.2 25.0 112 161 A G - 0 0 1 -68,-0.5 2,-0.3 -65,-0.3 7,-0.2 -0.280 19.5-113.1-113.6-157.5 8.7 48.2 27.7 113 162 A E - 0 0 61 5,-0.4 -67,-1.8 -2,-0.1 -66,-0.2 -0.777 8.6-148.1-129.9-176.5 7.8 46.7 31.1 114 163 A F S S+ 0 0 107 -2,-0.3 -66,-0.1 -69,-0.2 -1,-0.1 0.622 89.6 66.3-129.3 -31.9 9.1 47.6 34.5 115 164 A D S S+ 0 0 125 -68,-0.1 2,-0.1 2,-0.0 -67,-0.0 0.622 126.2 17.1 -70.9 -15.4 9.1 44.4 36.6 116 165 A T S S- 0 0 56 2,-0.1 3,-0.0 0, 0.0 -4,-0.0 -0.145 87.0-128.8-115.4-129.8 11.8 43.5 34.0 117 166 A S + 0 0 59 -2,-0.1 2,-0.4 2,-0.1 -3,-0.1 -0.044 66.3 109.7 176.5 45.9 13.5 46.1 31.9 118 167 A K S S- 0 0 147 1,-0.0 -5,-0.4 -72,-0.0 -2,-0.1 -0.998 72.9 -95.8-140.0 135.9 13.1 44.7 28.5 119 168 A I - 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0 0 37 1,-0.1 3,-0.4 -2,-0.1 -1,-0.3 -0.002 53.6-134.5 -40.3 151.7 -3.9 54.6 29.7 132 181 A S S S+ 0 0 61 1,-0.2 -1,-0.1 -82,-0.2 -5,-0.1 0.387 89.1 72.8 -98.8 2.7 -3.2 57.8 27.7 133 182 A N + 0 0 82 -83,-0.2 -81,-1.2 4,-0.1 -1,-0.2 -0.103 59.4 148.7-113.9 35.9 0.4 58.2 28.7 134 183 A N > - 0 0 12 -3,-0.4 4,-2.2 -84,-0.2 5,-0.2 -0.259 63.0-103.2 -57.9 156.9 2.1 55.5 26.7 135 184 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.831 119.6 48.9 -47.6 -43.1 5.7 56.2 25.6 136 185 A V H > S+ 0 0 24 -26,-0.4 4,-2.3 2,-0.2 5,-0.2 0.947 109.7 49.1 -70.9 -48.4 4.6 56.9 22.0 137 186 A S H > S+ 0 0 20 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.945 118.8 41.7 -51.1 -48.2 1.8 59.3 22.8 138 187 A V H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.812 106.9 59.6 -76.6 -35.5 4.1 61.2 25.1 139 188 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.983 109.5 45.6 -52.0 -54.9 7.2 61.1 22.9 140 189 A W H X S+ 0 0 18 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.812 110.0 51.6 -63.9 -34.4 5.1 63.0 20.3 141 190 A K H X S+ 0 0 56 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.908 112.4 50.8 -62.9 -41.3 3.7 65.5 22.7 142 191 A T H X S+ 0 0 10 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.933 113.6 39.1 -62.2 -54.1 7.3 66.1 23.8 143 192 A V H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.769 117.3 49.6 -73.4 -28.0 8.9 66.7 20.5 144 193 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 5,-0.2 0.794 99.0 64.8 -81.2 -27.8 6.1 68.7 19.0 145 194 A R H X S+ 0 0 83 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.874 108.9 44.1 -56.9 -34.8 5.8 71.0 22.1 146 195 A R H X S+ 0 0 70 -4,-0.9 4,-0.7 2,-0.2 -2,-0.2 0.942 108.7 55.3 -71.3 -51.5 9.3 72.0 20.9 147 196 A F H >< S+ 0 0 7 -4,-1.6 3,-0.8 1,-0.2 4,-0.4 0.864 109.2 49.1 -46.6 -44.1 8.3 72.2 17.2 148 197 A A H >< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.3 34,-0.4 0.864 106.4 53.6 -71.0 -39.0 5.5 74.6 18.2 149 198 A E H 3< S+ 0 0 88 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.569 109.3 53.6 -67.1 -9.2 7.7 76.9 20.3 150 199 A A T << S+ 0 0 26 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.517 83.4 109.4-104.9 -9.4 10.0 77.1 17.2 151 200 A A < + 0 0 0 -3,-1.0 31,-0.3 -4,-0.4 2,-0.3 -0.460 40.3 176.9 -82.9 142.2 7.5 78.3 14.6 152 201 A c + 0 0 14 -82,-3.2 -79,-0.3 2,-0.2 34,-0.3 -0.921 47.4 0.1-138.6 161.9 7.4 81.7 13.0 153 202 A D E S+ d 0 186B 59 32,-2.1 34,-2.0 -2,-0.3 35,-1.6 -0.436 124.4 6.7 67.0-121.8 5.5 83.7 10.3 154 203 A V E S- d 0 188B 47 -83,-0.3 2,-0.5 -2,-0.3 -81,-0.3 -0.872 71.7-172.3 -95.0 120.3 2.9 81.5 8.7 155 204 A V E - 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0 0 40 -2,-0.8 6,-0.6 -3,-0.2 3,-0.5 -0.814 12.0-152.8 -95.1 127.4 -10.0 68.1 18.4 169 218 A K T 3 S+ 0 0 118 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.635 94.9 48.6 -73.3 -14.4 -9.1 70.2 21.4 170 219 A D T 3 S+ 0 0 93 4,-0.1 -1,-0.2 5,-0.1 5,-0.0 0.574 85.4 112.8-102.4 -13.5 -7.5 67.3 23.3 171 220 A S S <> S- 0 0 23 -3,-0.5 4,-3.1 1,-0.1 5,-0.5 -0.081 88.2-104.7 -52.8 155.9 -5.4 66.2 20.3 172 221 A T H >>S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-1.5 0.908 127.3 47.8 -50.6 -38.5 -1.6 66.6 20.7 173 222 A F H 4>S+ 0 0 4 3,-0.2 5,-2.3 2,-0.2 -1,-0.2 0.971 113.4 44.2 -67.5 -52.5 -2.2 69.5 18.3 174 223 A G H 45S+ 0 0 2 -6,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 125.0 31.3 -57.5 -44.5 -5.1 71.0 20.1 175 224 A S H <5S+ 0 0 42 -4,-3.1 -1,-0.2 -7,-0.1 -2,-0.2 0.761 131.7 22.2 -95.4 -28.6 -3.6 70.7 23.6 176 225 A V T ><5S+ 0 0 3 -4,-2.1 3,-0.5 -5,-0.5 -3,-0.2 0.855 123.6 37.9-102.0 -63.9 0.1 71.0 23.2 177 226 A E G > > - 0 0 52 -2,-0.6 4,-3.5 -34,-0.4 3,-1.4 -0.754 9.8-155.8 -90.9 129.3 4.1 82.5 20.2 183 232 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.726 95.1 65.2 -75.2 -19.8 2.2 85.5 18.7 184 233 A E T 34 S+ 0 0 94 1,-0.1 3,-0.1 294,-0.0 -2,-0.1 0.511 120.8 24.4 -77.1 1.1 5.3 87.6 19.1 185 234 A K T <4 S+ 0 0 80 -3,-1.4 -32,-2.1 1,-0.2 2,-0.5 0.616 114.3 64.7-134.9 -43.2 6.7 85.2 16.5 186 235 A V E < -d 153 0B 0 -4,-3.5 -1,-0.2 -34,-0.3 -32,-0.2 -0.825 50.1-173.2 -98.9 127.8 3.8 83.7 14.5 187 236 A Q E - 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