==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-11 3ZWN . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA CALIFORNICA; . AUTHOR M.KOTAKA,R.GRAEFF,L.H.ZHANG,H.C.LEE,Q.HAO . 505 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 67.1 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 . 11 2.2 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 . 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 . 2 0.4 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 . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 2 2 2 2 2 0 2 0 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 2 0 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 . 4 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 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 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 A 0 0 108 0, 0.0 128,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -11.1 43.9 24.0 9.8 2 0 A A E -A 128 0A 61 126,-0.3 2,-0.3 128,-0.0 124,-0.0 -0.894 360.0-153.2-131.0 163.1 40.6 23.8 11.8 3 1 A I E -A 127 0A 64 124,-2.5 124,-2.2 -2,-0.3 122,-0.0 -0.972 25.6-116.6-134.1 147.3 37.8 21.3 12.5 4 2 A V - 0 0 115 -2,-0.3 122,-0.2 122,-0.2 3,-0.1 -0.765 33.7-134.6 -88.6 125.2 34.3 21.9 13.4 5 3 A P - 0 0 6 0, 0.0 108,-0.2 0, 0.0 2,-0.2 -0.322 29.5 -89.8 -74.0 161.5 33.4 20.5 17.0 6 4 A T - 0 0 24 106,-2.8 3,-0.5 1,-0.1 2,-0.1 -0.521 47.6-122.1 -67.8 137.2 30.3 18.5 17.8 7 5 A R S S+ 0 0 126 1,-0.2 5,-0.2 -2,-0.2 118,-0.1 -0.411 89.1 14.8 -75.0 155.3 27.5 20.9 18.9 8 6 A E S > S+ 0 0 69 116,-0.1 4,-2.9 3,-0.1 5,-0.3 0.876 74.8 177.4 46.2 53.2 25.9 20.5 22.3 9 7 A L H > S+ 0 0 6 -3,-0.5 4,-2.5 1,-0.3 5,-0.2 0.902 75.0 49.0 -59.7 -45.2 28.7 18.2 23.5 10 8 A E H > S+ 0 0 90 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.922 112.5 47.8 -61.3 -45.8 27.3 17.8 27.0 11 9 A N H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 113.7 47.2 -61.6 -44.8 23.8 17.0 25.7 12 10 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.939 113.7 47.9 -59.9 -50.2 25.1 14.4 23.2 13 11 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.955 115.9 43.2 -52.7 -55.4 27.4 12.8 25.8 14 12 A L H X S+ 0 0 48 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.828 114.0 50.8 -64.6 -37.6 24.7 12.6 28.4 15 13 A G H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.931 113.4 44.7 -65.6 -45.9 22.1 11.4 25.9 16 14 A R H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.892 112.8 53.7 -60.0 -41.1 24.4 8.6 24.6 17 15 A a H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.920 111.4 43.2 -62.2 -45.2 25.3 7.8 28.2 18 16 A K H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.902 113.6 51.8 -69.9 -41.8 21.6 7.4 29.2 19 17 A D H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.6 0.965 113.6 44.5 -56.1 -50.2 20.8 5.4 26.1 20 18 A Y H X5S+ 0 0 4 -4,-2.7 4,-2.0 3,-0.2 -2,-0.2 0.949 111.0 54.2 -58.1 -54.7 23.7 3.1 26.7 21 19 A E H <5S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.2 27.7 -48.4 -49.6 22.9 2.7 30.5 22 20 A I H <5S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.786 136.8 15.6 -87.8 -30.8 19.3 1.6 30.0 23 21 A T H <5S+ 0 0 27 -4,-2.6 2,-0.4 -5,-0.3 3,-0.3 0.616 95.3 86.1-124.2 -17.8 19.3 -0.0 26.6 24 22 A R S <> S+ 0 0 31 -2,-0.4 4,-3.0 67,-0.1 3,-1.8 0.740 77.3 159.4 54.3 29.1 24.8 -4.2 25.4 26 24 A L T 34 S+ 0 0 87 -3,-0.3 -1,-0.1 1,-0.3 5,-0.1 0.795 74.7 30.8 -58.7 -35.7 22.6 -5.2 28.4 27 25 A D T 34 S+ 0 0 165 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.361 123.6 49.3-102.5 9.0 23.5 -8.8 28.3 28 26 A I T <4 S+ 0 0 56 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.711 113.2 25.8-114.7 -39.7 27.0 -8.4 27.0 29 27 A L S < S- 0 0 4 -4,-3.0 -1,-0.3 -5,-0.1 42,-0.1 -0.973 79.3-113.8-131.8 149.5 28.7 -5.7 29.1 30 28 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.320 33.7-102.9 -78.5 164.0 28.1 -4.7 32.7 31 29 A R - 0 0 84 -5,-0.1 2,-0.3 1,-0.1 -10,-0.0 -0.511 33.6-118.7 -78.1 154.4 26.8 -1.3 33.8 32 30 A V - 0 0 30 -2,-0.2 35,-0.1 2,-0.2 37,-0.1 -0.664 14.4-134.7 -91.1 145.6 29.2 1.3 35.2 33 31 A R S S+ 0 0 255 -2,-0.3 -1,-0.1 33,-0.2 34,-0.1 0.867 80.8 86.0 -69.0 -39.3 28.6 2.4 38.9 34 32 A S S S- 0 0 44 32,-0.5 -2,-0.2 1,-0.1 2,-0.1 -0.349 82.5-121.9 -68.6 141.0 29.1 6.1 38.2 35 33 A D >> - 0 0 84 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.414 26.4-103.9 -81.8 165.6 26.0 8.0 37.0 36 34 A a H 3> S+ 0 0 10 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.872 120.7 53.0 -56.6 -40.4 26.1 9.9 33.6 37 35 A S H 3> S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.840 109.0 48.0 -64.5 -37.3 26.4 13.2 35.3 38 36 A A H <> S+ 0 0 32 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.894 111.3 51.8 -67.3 -39.3 29.4 12.2 37.3 39 37 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 108.0 52.1 -65.0 -42.4 31.0 10.7 34.2 40 38 A W H X S+ 0 0 21 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.924 107.6 51.6 -52.2 -52.3 30.4 14.0 32.4 41 39 A K H X S+ 0 0 133 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.919 112.0 46.5 -56.1 -44.1 32.1 16.0 35.2 42 40 A D H X S+ 0 0 47 -4,-2.3 4,-1.1 1,-0.2 21,-0.3 0.888 114.8 47.0 -63.8 -47.4 35.2 13.7 35.0 43 41 A F H >X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 3,-0.6 0.941 113.7 46.8 -57.9 -49.0 35.3 13.9 31.2 44 42 A F H 3X S+ 0 0 44 -4,-3.2 4,-2.2 1,-0.3 3,-0.4 0.878 108.5 55.8 -71.0 -34.3 34.9 17.7 31.1 45 43 A K H 3< S+ 0 0 155 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.817 98.9 64.5 -62.5 -27.7 37.5 18.2 33.9 46 44 A A H << S+ 0 0 6 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.882 121.1 12.0 -68.4 -38.6 40.1 16.3 31.8 47 45 A F H >< S+ 0 0 2 -4,-0.9 3,-0.9 -3,-0.4 -1,-0.2 0.566 95.7 111.3-116.6 -14.1 40.3 18.7 28.9 48 46 A S T 3< S+ 0 0 17 -4,-2.2 74,-0.2 1,-0.2 73,-0.1 -0.308 83.7 12.8 -72.9 148.5 38.6 22.0 29.9 49 47 A F T 3 S+ 0 0 90 72,-2.1 2,-0.4 67,-0.8 68,-0.2 0.819 105.7 108.3 62.8 29.4 40.6 25.2 30.5 50 48 A K S < S- 0 0 71 -3,-0.9 -1,-0.2 71,-0.5 65,-0.1 -1.000 78.5-111.8-134.6 137.6 43.6 23.6 28.9 51 49 A N > - 0 0 67 -2,-0.4 3,-2.6 65,-0.2 4,-0.5 -0.533 32.8-125.0 -60.8 130.6 45.2 24.3 25.5 52 50 A P G > S+ 0 0 14 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.857 109.3 59.5 -49.0 -34.5 44.6 21.1 23.4 53 51 A b G 3 S+ 0 0 31 1,-0.2 84,-0.2 80,-0.1 85,-0.1 0.578 95.9 61.6 -76.1 -7.8 48.3 20.8 22.8 54 52 A D G < S+ 0 0 107 -3,-2.6 -1,-0.2 83,-0.1 -3,-0.0 0.532 79.7 107.6 -90.5 -8.5 49.1 20.5 26.5 55 53 A L < + 0 0 17 -3,-1.2 2,-0.3 -4,-0.5 84,-0.1 -0.228 45.1 176.5 -63.5 158.2 47.1 17.3 27.1 56 54 A D > - 0 0 79 81,-0.1 3,-1.8 82,-0.1 4,-0.4 -0.842 48.8 -71.3-151.0-173.0 49.0 14.1 27.6 57 55 A L T 3 S+ 0 0 67 1,-0.3 3,-0.3 -2,-0.3 4,-0.1 0.776 127.6 52.6 -60.4 -22.8 48.4 10.4 28.4 58 56 A G T > S+ 0 0 42 1,-0.2 3,-1.4 2,-0.1 4,-0.4 0.596 82.5 90.3 -86.5 -12.3 47.4 11.2 32.0 59 57 A S T < S+ 0 0 23 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.891 99.0 29.4 -53.0 -45.8 44.7 13.9 31.2 60 58 A Y T 3> S+ 0 0 7 -4,-0.4 4,-2.6 80,-0.3 3,-0.4 0.277 86.7 113.0 -99.7 14.1 41.7 11.5 31.0 61 59 A K H <> S+ 0 0 121 -3,-1.4 4,-2.5 1,-0.3 -1,-0.2 0.908 78.6 46.2 -55.9 -50.2 43.0 8.9 33.4 62 60 A D H > S+ 0 0 116 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.3 0.851 111.0 52.7 -63.1 -33.9 40.4 9.5 36.1 63 61 A F H > S+ 0 0 2 -3,-0.4 4,-2.3 -21,-0.3 -1,-0.2 0.930 110.1 47.8 -65.6 -44.8 37.6 9.5 33.6 64 62 A F H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.900 107.5 56.5 -67.3 -32.6 38.7 6.1 32.2 65 63 A T H < S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.926 114.0 40.7 -60.0 -43.5 38.9 4.8 35.9 66 64 A S H < S+ 0 0 33 -4,-1.9 -32,-0.5 1,-0.2 -1,-0.2 0.852 120.0 43.6 -68.7 -36.2 35.3 5.7 36.3 67 65 A A H < S+ 0 0 0 -4,-2.3 36,-0.2 -5,-0.1 -2,-0.2 0.596 84.1 114.3 -88.8 -12.2 34.1 4.6 32.9 68 66 A Q < - 0 0 41 -4,-1.7 2,-0.3 -5,-0.2 81,-0.0 -0.388 47.3-159.5 -77.2 131.6 36.0 1.3 32.6 69 67 A Q - 0 0 6 -2,-0.1 2,-0.2 -37,-0.1 -37,-0.1 -0.797 27.5-106.2 -99.7 149.6 33.9 -1.9 32.5 70 68 A Q - 0 0 165 -2,-0.3 83,-0.1 1,-0.0 82,-0.0 -0.537 44.7-137.4 -65.3 139.3 35.0 -5.5 33.2 71 69 A L - 0 0 14 81,-0.6 3,-0.1 -2,-0.2 83,-0.1 -0.883 17.2 -99.4-112.3 142.0 35.2 -7.2 29.8 72 70 A P > - 0 0 39 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.257 47.5-101.1 -60.5 133.3 34.0 -10.7 28.8 73 71 A K T 3 S+ 0 0 132 1,-0.2 82,-0.2 2,-0.1 80,-0.1 -0.204 99.6 5.1 -54.4 137.1 36.7 -13.3 28.8 74 72 A N T 3 S+ 0 0 59 80,-2.6 -1,-0.2 -3,-0.1 81,-0.1 0.414 109.4 89.9 74.5 1.4 38.0 -14.2 25.3 75 73 A K < + 0 0 102 -3,-1.7 22,-2.9 79,-0.3 2,-0.2 0.452 47.8 116.2-116.4 -1.1 35.9 -11.6 23.5 76 74 A V E -bc 97 157B 0 80,-0.6 82,-2.0 -4,-0.3 2,-0.4 -0.502 42.9-169.2 -80.8 132.1 38.1 -8.5 23.3 77 75 A M E - c 0 158B 0 20,-2.4 22,-0.4 -2,-0.2 2,-0.3 -0.951 9.9-167.1-118.3 145.3 39.1 -7.4 19.8 78 76 A F E - c 0 159B 1 80,-2.7 82,-2.5 -2,-0.4 2,-0.3 -0.878 11.7-164.1-119.3 156.9 41.6 -4.8 18.6 79 77 A W E - c 0 160B 70 -2,-0.3 2,-0.4 80,-0.2 82,-0.2 -0.979 12.8-168.1-144.8 148.5 41.8 -3.5 15.1 80 78 A S E S- c 0 161B 21 80,-2.1 82,-1.0 -2,-0.3 -2,-0.0 -0.923 76.6 -15.4-140.8 116.4 44.3 -1.6 12.9 81 79 A G S S+ 0 0 51 -2,-0.4 80,-0.1 80,-0.2 3,-0.1 0.548 116.5 81.8 79.5 4.0 43.4 -0.2 9.5 82 80 A V > + 0 0 0 78,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.322 44.7 151.6-136.1 51.5 40.2 -2.1 9.1 83 81 A Y H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.931 74.4 42.5 -58.5 -50.8 37.5 -0.3 11.0 84 82 A D H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 117.4 44.5 -62.1 -47.2 34.5 -1.2 9.0 85 83 A E H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 113.3 50.9 -65.6 -40.4 35.4 -4.9 8.6 86 84 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.906 114.5 43.3 -64.4 -42.7 36.4 -5.4 12.2 87 85 A H H X>S+ 0 0 27 -4,-2.3 4,-1.6 -5,-0.3 5,-0.7 0.853 113.4 51.4 -69.6 -34.9 33.2 -3.8 13.5 88 86 A D H <5S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.958 114.5 43.9 -69.1 -43.4 31.0 -5.7 11.0 89 87 A Y H <5S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.5 53.0 -67.7 -39.4 32.7 -9.0 12.0 90 88 A A H <>S- 0 0 0 -4,-2.3 5,-2.4 -5,-0.2 6,-1.6 0.804 98.2-151.5 -69.1 -27.8 32.5 -8.2 15.8 91 89 A N T ><5 - 0 0 29 -4,-1.6 3,-2.3 1,-0.2 -3,-0.1 0.938 54.9 -52.8 61.6 57.7 28.8 -7.6 15.1 92 90 A T T 3 - 0 0 0 -2,-0.4 3,-2.0 -22,-0.2 4,-0.5 -0.829 39.5-105.2-115.0 167.6 35.5 -3.6 20.3 99 97 A L G > S+ 0 0 9 -22,-0.4 3,-1.7 -2,-0.3 6,-0.5 0.860 120.1 64.1 -54.0 -36.8 36.4 -0.4 22.2 100 98 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.619 97.4 54.6 -69.4 -11.9 33.5 1.3 20.4 101 99 A D G < S+ 0 0 11 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.524 91.2 90.3 -90.9 -13.8 31.0 -1.0 22.2 102 100 A T S <> S- 0 0 1 -3,-1.7 4,-3.1 -4,-0.5 5,-0.3 -0.524 94.1-103.2 -78.9 158.5 32.3 -0.1 25.6 103 101 A L H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 118.7 38.8 -46.3 -57.9 30.7 2.8 27.5 104 102 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.931 117.5 51.4 -68.4 -35.7 33.4 5.5 26.9 105 103 A G H > S+ 0 0 0 -6,-0.5 4,-1.5 1,-0.2 -5,-0.2 0.935 113.2 45.0 -62.0 -45.8 34.1 4.3 23.4 106 104 A Y H < S+ 0 0 26 -4,-3.1 -1,-0.2 -7,-0.4 -3,-0.2 0.896 111.7 51.4 -67.5 -40.5 30.4 4.5 22.5 107 105 A M H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.912 122.3 29.0 -65.4 -40.9 29.8 7.9 24.1 108 106 A L H >< S+ 0 0 0 -4,-2.1 3,-2.2 -5,-0.2 -1,-0.2 0.495 83.3 129.4-101.0 -5.8 32.7 9.6 22.3 109 107 A N T 3< S+ 0 0 45 -4,-1.5 3,-0.1 1,-0.3 -4,-0.0 -0.263 85.7 0.9 -57.8 133.4 33.0 7.7 19.0 110 108 A S T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -104,-0.0 2,-0.1 0.359 102.0 128.4 76.1 -4.8 33.0 10.1 16.0 111 109 A L < - 0 0 14 -3,-2.2 2,-0.4 -106,-0.0 -1,-0.2 -0.481 44.6-154.5 -88.5 159.2 32.8 13.2 18.2 112 110 A V + 0 0 32 -2,-0.1 -106,-2.8 -3,-0.1 2,-0.3 -0.998 25.1 152.0-129.8 132.7 35.1 16.2 18.0 113 111 A W - 0 0 23 -2,-0.4 2,-0.3 -108,-0.2 11,-0.1 -0.970 18.0-166.5-154.5 163.7 35.8 18.5 21.0 114 112 A c - 0 0 4 9,-0.4 9,-2.2 -2,-0.3 2,-0.1 -0.956 15.5-133.7-157.7 139.5 38.5 20.8 22.3 115 113 A G B -F 122 0C 6 -2,-0.3 7,-0.3 7,-0.3 2,-0.3 -0.355 21.2-167.7 -72.1 162.6 39.4 22.6 25.4 116 114 A Q - 0 0 48 5,-1.7 -67,-0.8 2,-0.2 -66,-0.2 -0.979 28.3-126.6-143.2 164.2 40.6 26.2 25.5 117 115 A R S S+ 0 0 172 -2,-0.3 -1,-0.1 -68,-0.2 -66,-0.1 0.910 89.6 73.0 -71.0 -42.4 42.1 28.4 28.1 118 116 A A S > S- 0 0 67 1,-0.1 3,-2.2 -3,-0.1 -69,-0.2 -0.282 97.1 -47.2 -70.3 158.0 39.6 31.2 27.9 119 117 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.327 124.0 32.0 -61.0 151.3 36.0 30.8 29.3 120 118 A P T 3 S- 0 0 62 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.894 98.8-125.9 -88.0 27.7 34.0 28.7 29.1 121 119 A G S < S+ 0 0 0 -3,-2.2 -72,-2.1 1,-0.1 -5,-1.7 0.433 83.3 53.8 87.9 -2.1 37.0 26.4 28.9 122 120 A F B S-F 115 0C 34 -7,-0.3 2,-0.5 -74,-0.2 -7,-0.3 -0.965 78.4-120.4-153.2 164.5 36.0 24.6 25.7 123 121 A N - 0 0 37 -9,-2.2 -9,-0.4 -2,-0.3 -4,-0.0 -0.945 19.2-178.8-116.7 123.8 35.1 25.7 22.1 124 122 A E S S+ 0 0 95 -2,-0.5 -116,-0.1 1,-0.1 -1,-0.1 0.320 83.4 40.7-101.6 5.5 31.8 24.8 20.6 125 123 A K S S+ 0 0 172 1,-0.4 2,-0.3 -121,-0.1 -1,-0.1 0.630 118.9 12.2-121.4 -34.1 32.4 26.5 17.3 126 124 A V - 0 0 73 -122,-0.2 -1,-0.4 -12,-0.1 -122,-0.2 -0.991 51.6-172.6-152.9 143.2 36.0 25.8 16.2 127 125 A c E -A 3 0A 1 -124,-2.2 -124,-2.5 -2,-0.3 3,-0.1 -0.992 32.3-110.0-130.0 140.3 38.9 23.6 17.1 128 126 A P E -A 2 0A 58 0, 0.0 -126,-0.3 0, 0.0 2,-0.2 -0.395 44.7 -96.6 -65.0 147.0 42.5 23.7 15.9 129 127 A D > - 0 0 44 -128,-2.6 3,-1.4 1,-0.1 4,-0.1 -0.510 33.0-137.4 -61.1 129.6 43.5 20.8 13.7 130 128 A F G > S+ 0 0 66 1,-0.3 3,-2.4 -2,-0.2 -1,-0.1 0.670 91.3 83.7 -76.8 -15.8 45.2 18.4 16.2 131 129 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 7,-0.1 7,-0.1 0.723 83.6 65.0 -56.6 -23.0 48.1 17.5 13.8 132 130 A T G < S+ 0 0 96 -3,-1.4 -1,-0.3 -131,-0.1 -2,-0.2 0.703 92.1 80.4 -72.8 -20.3 49.6 20.8 15.1 133 131 A b S < S- 0 0 5 -3,-2.4 -80,-0.1 1,-0.1 -79,-0.1 -0.389 94.1 -91.3 -83.9 158.4 49.9 19.2 18.6 134 132 A P >> - 0 0 57 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.354 44.2-107.2 -65.9 158.4 52.6 16.9 20.0 135 133 A V H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.835 117.4 58.3 -58.7 -36.7 51.6 13.2 19.6 136 134 A Q H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.834 110.3 44.7 -68.3 -27.7 50.9 12.7 23.3 137 135 A A H X4 S+ 0 0 9 -3,-1.0 3,-1.3 -84,-0.2 4,-0.4 0.899 112.7 50.1 -72.6 -44.8 48.3 15.4 23.2 138 136 A R H 3< S+ 0 0 117 -4,-2.2 4,-0.3 1,-0.3 3,-0.3 0.854 119.0 39.0 -61.9 -37.8 46.8 14.2 19.9 139 137 A E T 3X>S+ 0 0 29 -4,-2.4 4,-1.7 -5,-0.2 5,-0.6 0.284 85.3 108.7 -94.7 7.2 46.6 10.7 21.4 140 138 A S H <>5S+ 0 0 0 -3,-1.3 4,-1.2 3,-0.2 -80,-0.3 0.915 85.9 30.2 -52.1 -54.7 45.6 11.8 24.8 141 139 A F H >5S+ 0 0 10 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.1 0.988 128.5 33.6 -72.0 -60.4 41.9 10.6 24.7 142 140 A W H >5S+ 0 0 68 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.809 116.1 57.8 -72.4 -29.1 41.9 7.6 22.4 143 141 A G H X5S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.932 111.2 41.5 -59.5 -49.4 45.4 6.5 23.6 144 142 A M H XX S+ 0 0 2 -4,-2.1 3,-1.2 -5,-0.3 4,-0.6 0.970 114.1 47.2 -64.1 -50.7 40.5 -1.2 27.5 150 148 A A H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 36,-0.4 0.900 107.5 58.1 -58.8 -39.3 43.5 -3.4 26.7 151 149 A H H 3< S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 105.0 51.4 -65.7 -24.9 44.4 -3.5 30.4 152 150 A S H << S+ 0 0 29 -3,-1.2 -81,-0.6 -4,-1.0 -1,-0.3 0.547 84.4 114.7 -88.8 -7.2 41.0 -5.0 31.2 153 151 A A << - 0 0 0 -3,-1.5 33,-0.4 -4,-0.6 2,-0.3 -0.361 42.2-175.9 -65.1 145.3 41.2 -7.8 28.6 154 152 A E + 0 0 80 -82,-0.3 -80,-2.6 2,-0.2 -78,-0.3 -0.983 47.6 0.7-139.0 148.8 41.3 -11.5 29.8 155 153 A G E S+ d 0 189B 1 33,-2.9 35,-2.3 -2,-0.3 36,-0.8 -0.562 116.0 1.9 79.7-139.6 41.7 -14.8 28.1 156 154 A E E - d 0 191B 64 -2,-0.2 -80,-0.6 33,-0.2 2,-0.3 -0.609 66.0-163.1 -83.5 141.0 42.2 -14.8 24.3 157 155 A V E -cd 76 192B 0 34,-2.5 36,-2.8 -2,-0.3 2,-0.4 -0.886 6.6-145.4-121.0 155.2 42.3 -11.5 22.5 158 156 A T E -cd 77 193B 2 -82,-2.0 -80,-2.7 -2,-0.3 2,-0.4 -0.965 8.3-166.0-124.5 143.4 41.9 -10.9 18.7 159 157 A Y E -cd 78 194B 0 34,-2.5 36,-2.7 -2,-0.4 2,-0.5 -0.981 4.8-161.0-134.4 113.0 43.6 -8.4 16.5 160 158 A M E +cd 79 195B 0 -82,-2.5 -80,-2.1 -2,-0.4 2,-0.3 -0.853 18.3 178.9-101.0 130.8 42.3 -7.7 13.0 161 159 A V E -cd 80 196B 0 34,-2.6 36,-3.1 -2,-0.5 2,-0.6 -0.909 34.1-106.7-131.4 159.0 44.8 -6.1 10.6 162 160 A D E + d 0 197B 15 -82,-1.0 3,-0.3 -2,-0.3 36,-0.2 -0.733 29.5 178.2 -87.3 120.3 45.0 -4.9 7.0 163 161 A G S S+ 0 0 0 34,-3.0 42,-2.4 -2,-0.6 43,-2.4 0.271 71.7 64.5-102.8 10.2 47.2 -7.2 5.0 164 162 A S S S+ 0 0 3 33,-0.3 -1,-0.2 41,-0.2 39,-0.1 0.168 70.4 103.8-121.5 18.5 46.7 -5.4 1.7 165 163 A N > - 0 0 51 -3,-0.3 3,-0.8 3,-0.3 5,-0.1 -0.871 44.8-170.8-108.9 104.2 48.3 -2.0 2.4 166 164 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 38,-0.0 0.709 88.8 47.7 -67.5 -12.3 51.7 -1.6 0.7 167 165 A K T 3 S+ 0 0 196 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.577 111.2 48.0 -98.5 -15.5 52.3 1.7 2.6 168 166 A V S < S- 0 0 55 -3,-0.8 -3,-0.3 -6,-0.0 -1,-0.2 -0.912 82.1-130.9-136.1 108.2 51.3 0.6 6.2 169 167 A P - 0 0 60 0, 0.0 -7,-0.1 0, 0.0 3,-0.1 -0.175 21.8-119.1 -56.0 144.8 52.6 -2.6 7.7 170 168 A A S S+ 0 0 6 1,-0.2 2,-0.5 -9,-0.1 -8,-0.2 0.898 105.1 32.2 -50.2 -45.6 50.1 -4.9 9.3 171 169 A Y S S+ 0 0 23 -10,-0.1 -1,-0.2 6,-0.0 44,-0.1 -0.968 71.7 172.4-120.1 132.0 51.9 -4.4 12.6 172 170 A R > - 0 0 85 -2,-0.5 3,-1.4 -3,-0.1 6,-0.5 -0.998 33.2-138.8-135.8 134.4 53.7 -1.2 13.6 173 171 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.785 104.6 51.3 -58.6 -30.4 55.2 -0.3 17.0 174 172 A D T 3 S+ 0 0 100 4,-0.1 2,-0.0 5,-0.1 -3,-0.0 0.390 86.7 99.6 -96.0 7.8 53.8 3.2 16.7 175 173 A S S <> S- 0 0 5 -3,-1.4 4,-2.5 1,-0.1 5,-0.3 -0.294 92.1-100.5 -77.0 172.4 50.2 2.3 16.0 176 174 A F H >>S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-1.5 0.873 126.2 51.6 -62.7 -35.3 47.6 2.4 18.8 177 175 A F H >>S+ 0 0 0 3,-0.2 5,-3.2 1,-0.2 4,-0.6 0.948 114.7 40.8 -62.1 -47.2 47.9 -1.3 19.1 178 176 A G H 45S+ 0 0 10 -6,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.832 125.5 35.0 -71.0 -33.8 51.7 -1.2 19.3 179 177 A K H <5S+ 0 0 77 -4,-2.5 -3,-0.2 -7,-0.1 -2,-0.2 0.847 135.6 11.4 -94.5 -34.9 51.9 1.7 21.6 180 178 A Y H <5S+ 0 0 17 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.674 125.6 42.0-123.7 -21.5 48.8 1.4 23.9 181 179 A E T >< - 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