==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-96 1LBE . COMPND 2 MOLECULE: ADP RIBOSYL CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: APLYSIA CALIFORNICA; . AUTHOR G.S.PRASAD,D.E.MCREE,E.A.STURA,D.G.LEVITT,H.C.LEE,C.D.STOUT . 498 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 5 0 2 2 2 1 2 2 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 I 0 0 93 0, 0.0 124,-2.9 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 126.9 32.9 26.8 50.2 2 2 A V - 0 0 118 122,-0.2 122,-0.2 1,-0.1 121,-0.1 -0.725 360.0-132.0 -80.3 124.6 33.7 24.8 47.1 3 3 A P - 0 0 12 0, 0.0 108,-0.2 0, 0.0 2,-0.1 -0.112 33.0 -70.8 -67.9 167.6 30.6 22.7 46.3 4 4 A T > - 0 0 21 106,-3.1 3,-0.6 1,-0.1 2,-0.3 -0.450 50.8-125.1 -61.7 137.3 30.5 18.9 45.5 5 5 A R T 3 S+ 0 0 120 1,-0.3 5,-0.2 -2,-0.1 -1,-0.1 -0.628 89.2 9.3 -84.8 143.7 31.9 18.1 42.1 6 6 A E T 3> S+ 0 0 50 -2,-0.3 4,-2.5 3,-0.1 -1,-0.3 0.924 73.7 172.4 49.6 53.8 29.6 16.1 39.7 7 7 A L H <> S+ 0 0 4 -3,-0.6 4,-3.2 1,-0.2 5,-0.3 0.921 73.9 57.9 -55.1 -50.1 26.6 16.5 42.0 8 8 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 114.3 38.5 -43.6 -51.0 24.3 15.0 39.3 9 9 A N H > S+ 0 0 79 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.797 115.1 48.7 -74.3 -44.2 26.4 11.9 39.4 10 10 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.964 116.3 46.2 -60.5 -51.1 27.2 11.6 43.0 11 11 A F H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.931 115.6 45.2 -54.9 -55.9 23.5 12.1 43.8 12 12 A L H X S+ 0 0 45 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.691 115.4 48.3 -64.8 -25.9 22.4 9.6 41.0 13 13 A G H X S+ 0 0 5 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.777 109.9 48.7 -84.7 -35.5 24.9 7.1 42.1 14 14 A R H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.813 114.1 51.3 -70.9 -26.2 24.1 7.3 45.8 15 15 A a H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.912 111.4 43.2 -76.6 -41.9 20.5 6.9 44.6 16 16 A K H X S+ 0 0 34 -4,-1.5 4,-3.1 2,-0.2 5,-0.4 0.933 115.6 49.8 -67.3 -48.5 21.1 3.8 42.5 17 17 A D H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.5 0.946 114.6 44.3 -53.2 -55.8 23.3 2.1 45.1 18 18 A Y H X S+ 0 0 2 -4,-1.9 4,-2.4 3,-0.2 5,-0.3 0.961 115.2 50.1 -54.4 -56.0 20.8 2.8 47.8 19 19 A E H < S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.935 121.2 30.8 -46.9 -64.4 17.9 1.6 45.5 20 20 A I H < S+ 0 0 18 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.822 138.5 10.9 -70.8 -30.1 19.5 -1.6 44.4 21 21 A T H < S+ 0 0 27 -4,-2.7 3,-0.3 -5,-0.4 -3,-0.2 0.658 95.0 82.2-134.3 -1.2 21.5 -2.4 47.6 22 22 A R S < S- 0 0 73 -4,-2.4 3,-0.2 -5,-0.5 4,-0.1 0.994 97.6 -0.1 -84.1 -79.7 21.2 -0.5 50.9 23 23 A Y S > S+ 0 0 22 -5,-0.3 4,-1.6 1,-0.2 -1,-0.2 -0.416 72.6 153.7-103.8 53.0 18.6 -1.0 53.6 24 24 A L T 4 S+ 0 0 104 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.942 77.4 31.4 -45.5 -55.0 16.9 -3.8 51.8 25 25 A D T 4 S+ 0 0 158 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.976 126.2 43.6 -66.1 -54.8 15.6 -5.4 55.0 26 26 A I T 4 S+ 0 0 51 -4,-0.1 -2,-0.2 2,-0.0 -1,-0.1 0.903 112.5 30.9 -60.0 -62.3 15.2 -2.2 57.0 27 27 A L S < S- 0 0 4 -4,-1.6 2,-0.1 72,-0.1 42,-0.1 -0.748 75.4-113.0-108.1 156.2 13.6 0.5 54.9 28 28 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.418 33.7-112.9 -79.8 153.4 11.1 0.5 52.0 29 29 A R - 0 0 81 -2,-0.1 2,-0.2 -5,-0.1 -10,-0.0 -0.497 32.3-115.5 -84.3 160.5 12.2 1.5 48.5 30 30 A V - 0 0 28 2,-0.2 35,-0.1 -2,-0.1 37,-0.1 -0.513 12.4-131.8 -90.3 161.3 10.7 4.7 47.1 31 31 A R S S+ 0 0 255 33,-0.4 2,-0.1 -2,-0.2 -1,-0.1 0.720 81.0 87.5 -87.5 -19.4 8.4 4.5 44.1 32 32 A S S S- 0 0 39 32,-0.6 2,-0.2 1,-0.1 -2,-0.2 -0.454 79.7-121.6 -78.2 149.7 10.1 7.3 42.2 33 33 A D >> - 0 0 87 -2,-0.1 4,-2.5 1,-0.1 3,-0.8 -0.587 29.9-104.0 -86.6 158.1 13.0 6.5 40.0 34 34 A a H 3> S+ 0 0 7 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.859 120.2 52.0 -50.2 -36.9 16.4 8.2 40.6 35 35 A S H 3> S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.853 108.9 49.1 -69.9 -35.6 15.9 10.6 37.7 36 36 A A H <> S+ 0 0 33 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.952 109.8 52.5 -65.7 -47.2 12.6 11.7 38.9 37 37 A L H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.877 109.9 51.4 -54.4 -37.2 14.2 12.2 42.3 38 38 A W H X S+ 0 0 14 -4,-2.2 4,-3.2 -5,-0.3 3,-0.4 0.938 105.4 52.4 -68.7 -47.7 16.8 14.3 40.5 39 39 A K H X S+ 0 0 112 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.908 112.8 45.8 -53.7 -46.6 14.4 16.6 38.7 40 40 A D H < S+ 0 0 32 -4,-1.8 21,-0.4 2,-0.2 -1,-0.2 0.712 116.2 44.7 -66.3 -33.7 12.5 17.5 41.9 41 41 A F H >X S+ 0 0 0 -4,-1.1 3,-0.9 -3,-0.4 4,-0.6 0.891 118.1 43.8 -74.7 -49.7 15.7 18.1 43.9 42 42 A F H >X S+ 0 0 37 -4,-3.2 4,-2.0 1,-0.2 3,-0.7 0.865 106.0 59.2 -66.2 -39.5 17.3 20.1 41.2 43 43 A K H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.663 98.5 66.4 -66.4 -11.2 14.2 22.1 40.4 44 44 A A H <4 S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.821 118.1 11.5 -78.2 -37.6 14.3 23.3 44.0 45 45 A F H X< S+ 0 0 3 -3,-0.7 3,-1.1 -4,-0.6 -2,-0.2 0.629 98.5 110.3-115.4 -22.5 17.5 25.4 44.1 46 46 A S T 3< S+ 0 0 15 -4,-2.0 74,-0.2 1,-0.2 67,-0.1 -0.166 80.7 12.9 -61.1 156.6 18.5 25.7 40.4 47 47 A F T 3 S+ 0 0 93 72,-1.6 2,-0.3 67,-0.7 -1,-0.2 0.597 108.0 95.5 52.5 22.4 18.3 29.0 38.5 48 48 A K S < S- 0 0 64 -3,-1.1 -1,-0.2 71,-0.4 68,-0.1 -0.743 88.4 -81.7-126.8 176.2 17.8 31.0 41.7 49 49 A N > - 0 0 63 -2,-0.3 3,-1.7 65,-0.2 65,-0.2 -0.445 44.9-113.4 -73.6 152.5 20.2 32.8 43.9 50 50 A P T 3 S+ 0 0 33 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 0.861 118.8 42.7 -57.8 -38.0 22.0 30.5 46.3 51 51 A b T 3 S+ 0 0 33 1,-0.1 2,-1.4 61,-0.1 85,-0.1 0.217 86.0 108.7 -90.2 12.3 20.3 32.1 49.4 52 52 A D < + 0 0 88 -3,-1.7 2,-0.3 -7,-0.1 -1,-0.1 -0.530 57.0 99.3 -91.0 72.2 17.0 32.2 47.5 53 53 A L - 0 0 18 -2,-1.4 2,-0.3 79,-0.1 83,-0.1 -0.989 41.6-175.6-154.6 159.1 15.2 29.5 49.5 54 54 A D > - 0 0 81 -2,-0.3 3,-2.4 81,-0.1 4,-0.3 -0.878 53.1 -79.8-147.2 170.8 12.8 28.8 52.3 55 55 A L G > S+ 0 0 42 1,-0.3 3,-0.7 -2,-0.3 4,-0.1 0.776 124.3 57.0 -47.3 -35.3 11.5 25.6 54.0 56 56 A G G 3 S+ 0 0 31 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.298 77.6 93.6 -86.2 15.0 9.1 24.9 51.2 57 57 A S G < S+ 0 0 19 -3,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.816 93.2 37.3 -74.5 -32.1 11.7 24.8 48.3 58 58 A Y S X> S+ 0 0 6 -3,-0.7 4,-2.5 80,-0.3 3,-0.7 0.319 80.1 115.3-102.7 10.4 12.2 21.0 48.5 59 59 A K H 3> S+ 0 0 117 -3,-0.5 4,-2.4 1,-0.3 5,-0.2 0.868 78.5 49.6 -45.4 -49.4 8.6 20.1 49.3 60 60 A D H 3> S+ 0 0 68 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.3 0.876 111.0 49.2 -63.3 -35.7 8.3 18.2 46.0 61 61 A F H <> S+ 0 0 0 -3,-0.7 4,-2.6 -21,-0.4 -2,-0.2 0.950 112.8 46.4 -68.0 -46.5 11.5 16.2 46.6 62 62 A F H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.861 108.5 55.4 -67.2 -33.1 10.5 15.2 50.1 63 63 A T H < S+ 0 0 105 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.944 116.1 39.1 -63.5 -45.1 7.1 14.2 49.0 64 64 A S H < S+ 0 0 31 -4,-1.9 -32,-0.6 1,-0.2 -33,-0.4 0.807 119.9 43.6 -71.8 -38.0 8.7 11.9 46.4 65 65 A A H < S+ 0 0 0 -4,-2.6 2,-0.3 -5,-0.1 36,-0.3 0.485 83.0 117.6 -88.0 -8.8 11.6 10.6 48.5 66 66 A Q < - 0 0 40 -4,-1.4 2,-0.3 -3,-0.3 81,-0.0 -0.501 45.9-163.6 -70.8 125.3 9.7 10.0 51.8 67 67 A Q - 0 0 7 -2,-0.3 2,-0.5 -37,-0.1 -37,-0.1 -0.716 29.9-104.6-104.3 152.6 9.6 6.3 52.9 68 68 A Q - 0 0 154 -2,-0.3 83,-0.1 1,-0.0 82,-0.0 -0.741 47.4-131.5 -80.8 129.9 7.3 4.9 55.5 69 69 A L - 0 0 8 81,-0.6 2,-0.2 -2,-0.5 3,-0.1 -0.527 17.6 -96.9 -87.5 144.3 9.4 4.5 58.6 70 70 A P >> - 0 0 30 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.401 47.9-102.6 -63.6 125.9 9.8 1.4 60.8 71 71 A K T 34 S- 0 0 127 1,-0.3 82,-0.2 -2,-0.2 80,-0.1 -0.128 98.0 -3.0 -45.7 129.7 7.6 1.5 63.9 72 72 A N T 34 S+ 0 0 63 80,-2.7 -1,-0.3 1,-0.1 81,-0.1 0.559 109.6 96.1 61.3 10.8 9.4 2.5 67.1 73 73 A K T <4 + 0 0 72 -3,-2.2 22,-1.7 79,-0.3 -2,-0.2 0.634 49.4 117.4-102.3 -17.2 12.8 2.6 65.4 74 74 A V B < -a 95 0A 0 -4,-0.6 82,-2.2 78,-0.3 2,-0.4 -0.241 41.0-173.0 -55.8 131.8 13.1 6.4 64.7 75 75 A M E -b 156 0B 1 20,-1.5 2,-0.3 80,-0.2 22,-0.3 -0.969 15.6-165.7-136.5 141.9 15.9 8.3 66.3 76 76 A F E -b 157 0B 2 80,-2.8 82,-2.8 -2,-0.4 2,-0.3 -0.918 16.9-168.0-118.0 142.5 16.8 12.0 66.5 77 77 A W E -b 158 0B 71 -2,-0.3 2,-0.3 80,-0.2 82,-0.2 -0.924 10.8-171.2-136.0 156.1 20.2 13.0 67.7 78 78 A S E S-b 159 0B 19 80,-1.4 82,-1.4 -2,-0.3 -2,-0.0 -0.801 71.7 -10.2-156.5 110.4 21.8 16.1 68.8 79 79 A G S S+ 0 0 43 -2,-0.3 80,-0.1 80,-0.2 3,-0.1 0.578 116.2 80.5 82.0 6.0 25.5 16.8 69.5 80 80 A V > + 0 0 0 78,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.377 47.1 153.3-140.1 61.9 26.3 13.1 69.3 81 81 A Y H > S+ 0 0 82 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.923 78.9 33.1 -58.0 -53.5 26.6 12.3 65.6 82 82 A D H > S+ 0 0 61 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.974 119.3 48.9 -71.4 -50.3 29.0 9.5 65.9 83 83 A E H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.880 117.4 45.3 -52.9 -42.2 27.8 8.0 69.2 84 84 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.832 116.9 42.3 -72.3 -37.7 24.2 8.2 67.9 85 85 A H H X>S+ 0 0 27 -4,-1.9 4,-1.0 -5,-0.3 5,-0.7 0.800 114.8 51.2 -82.5 -24.9 25.0 6.8 64.5 86 86 A D H <5S+ 0 0 52 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.840 114.1 44.9 -74.9 -37.5 27.3 4.1 66.0 87 87 A Y H <5S+ 0 0 27 -4,-1.7 -2,-0.2 -5,-0.3 6,-0.2 0.875 107.7 55.6 -71.9 -44.0 24.5 3.1 68.4 88 88 A A H <>S- 0 0 1 -4,-2.1 5,-3.0 5,-0.2 6,-2.1 0.848 97.0-152.1 -60.1 -31.1 21.7 3.1 65.8 89 89 A N T ><5 - 0 0 18 -4,-1.0 3,-1.4 3,-0.2 -3,-0.1 0.881 53.5 -53.4 65.0 44.4 23.9 0.6 63.9 90 90 A T T 3 > - 0 0 1 -2,-0.4 3,-1.8 -22,-0.2 4,-0.6 -0.735 42.3 -96.1-109.0 171.9 18.5 7.9 61.8 97 97 A L G >4 S+ 0 0 11 -22,-0.3 3,-1.0 1,-0.3 6,-0.6 0.834 121.4 64.6 -59.0 -30.9 17.8 10.5 59.1 98 98 A E G 34 S+ 0 0 24 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.296 96.1 56.7 -76.2 1.5 21.0 9.6 57.3 99 99 A D G <4 S+ 0 0 11 -3,-1.8 -1,-0.3 4,-0.0 -2,-0.2 0.511 90.4 90.3-101.6 -20.9 19.7 6.1 56.7 100 100 A T S S+ 0 0 7 -36,-0.3 4,-2.8 1,-0.2 5,-0.2 0.944 119.3 42.5 -43.6 -59.8 16.9 7.9 51.1 102 102 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.846 115.9 48.4 -57.3 -42.4 17.2 11.7 51.3 103 103 A G H > S+ 0 0 0 -6,-0.6 4,-1.4 1,-0.2 -5,-0.2 0.934 113.8 48.8 -66.3 -39.1 19.6 11.7 54.2 104 104 A Y H < S+ 0 0 19 -4,-2.9 -1,-0.2 -7,-0.3 -3,-0.2 0.918 112.8 45.3 -67.5 -43.8 21.7 9.2 52.4 105 105 A M H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.806 123.7 31.1 -71.6 -32.0 21.8 10.9 49.1 106 106 A L H >< S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.2 2,-0.4 0.420 80.6 131.0-108.2 -0.8 22.6 14.4 50.4 107 107 A N T 3< S- 0 0 34 -4,-1.4 3,-0.1 1,-0.3 -4,-0.0 -0.380 86.4 -4.6 -60.1 113.4 24.6 13.8 53.5 108 108 A S T 3 S+ 0 0 109 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.270 100.0 132.1 86.3 -10.3 27.8 15.9 53.6 109 109 A L < - 0 0 14 -3,-1.3 2,-0.4 -105,-0.0 -1,-0.3 -0.373 44.5-151.7 -74.9 148.1 27.2 17.3 50.1 110 110 A V + 0 0 42 -3,-0.1 -106,-3.1 -2,-0.1 2,-0.3 -0.995 28.3 151.4-123.3 124.4 27.5 21.0 49.3 111 111 A W + 0 0 37 -2,-0.4 2,-0.3 -108,-0.2 11,-0.1 -0.986 13.0 174.5-148.7 158.9 25.5 22.5 46.5 112 112 A c - 0 0 11 9,-0.4 9,-1.8 -2,-0.3 2,-0.1 -0.973 22.6-121.6-162.9 156.3 23.9 25.9 45.6 113 113 A G B -E 120 0C 1 -2,-0.3 7,-0.3 7,-0.3 2,-0.3 -0.368 18.9-176.7 -98.3 179.1 22.1 27.5 42.8 114 114 A Q - 0 0 46 5,-1.1 -67,-0.7 -65,-0.2 -66,-0.3 -0.922 36.8-113.1-162.6 163.8 22.8 30.6 40.6 115 115 A R S S+ 0 0 132 -2,-0.3 -66,-0.1 -68,-0.2 -1,-0.1 0.849 88.7 83.1 -78.2 -30.5 20.7 32.2 37.9 116 116 A A S > S- 0 0 57 1,-0.1 3,-2.0 -68,-0.1 -69,-0.3 -0.197 90.3 -64.3 -72.7 161.4 23.1 31.4 35.0 117 117 A N T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.474 120.9 47.2 -72.2 150.9 23.2 28.2 33.2 118 118 A P T 3 S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.985 102.6-128.5 -65.6 -4.0 24.0 25.4 34.2 119 119 A G S < S+ 0 0 0 -3,-2.0 -72,-1.6 1,-0.2 -5,-1.1 0.248 79.7 57.6 105.7 -7.9 21.6 26.5 36.9 120 120 A F B S-E 113 0C 27 -7,-0.3 2,-0.6 -74,-0.2 -7,-0.3 -0.981 83.4-108.7-152.4 156.5 23.9 25.8 39.8 121 121 A N + 0 0 35 -9,-1.8 -9,-0.4 -2,-0.3 -4,-0.0 -0.768 27.9 172.2 -95.0 116.7 27.4 26.8 41.0 122 122 A E S S+ 0 0 89 -2,-0.6 -1,-0.1 -11,-0.1 3,-0.1 0.404 77.8 52.2-104.7 9.8 30.1 24.2 40.8 123 123 A K S S- 0 0 175 1,-0.3 2,-0.3 -121,-0.1 -1,-0.1 0.839 117.5 -0.3-109.3 -42.9 32.8 26.6 41.7 124 124 A V - 0 0 78 -122,-0.2 -1,-0.3 -12,-0.1 -122,-0.2 -0.987 49.5-164.9-156.6 139.1 31.8 28.3 44.9 125 125 A c - 0 0 6 -124,-2.9 -13,-0.1 -2,-0.3 -3,-0.0 -0.822 39.6 -98.1-118.7 149.0 28.9 28.4 47.3 126 126 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.290 42.8-106.5 -66.5 158.4 28.4 31.2 49.8 127 127 A D - 0 0 101 2,-0.0 4,-0.4 3,-0.0 0, 0.0 0.173 41.9 -81.6 -67.9-164.5 29.5 30.6 53.4 128 128 A F S > S+ 0 0 136 1,-0.1 3,-2.0 2,-0.1 8,-0.0 0.959 114.1 30.6 -64.9 -96.0 27.3 30.0 56.4 129 129 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.609 96.6 88.2 -40.6 -29.4 25.7 33.1 58.0 130 130 A T T 3 S+ 0 0 86 2,-0.0 -1,-0.3 6,-0.0 -2,-0.1 0.899 86.5 61.1 -42.8 -45.7 25.6 34.9 54.7 131 131 A b S < S- 0 0 13 -3,-2.0 -79,-0.1 -4,-0.4 -80,-0.0 -0.498 96.0-103.4 -89.1 155.9 22.2 33.4 54.1 132 132 A P >> - 0 0 63 0, 0.0 4,-3.3 0, 0.0 3,-1.7 -0.342 40.2-106.7 -69.4 147.3 19.1 33.7 56.2 133 133 A V H 3> S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.858 118.5 51.2 -44.9 -45.9 18.3 30.7 58.4 134 134 A Q H 34 S+ 0 0 84 2,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.672 114.3 42.8 -73.3 -12.6 15.4 29.4 56.3 135 135 A A H <4 S+ 0 0 10 -3,-1.7 3,-0.5 2,-0.2 4,-0.3 0.786 119.7 46.2 -91.4 -35.3 17.6 29.5 53.1 136 136 A R H < S+ 0 0 111 -4,-3.3 -2,-0.3 1,-0.2 4,-0.2 0.723 123.9 33.4 -72.0 -28.2 20.3 28.0 55.3 137 137 A E S X>S+ 0 0 31 -4,-2.3 4,-1.6 -5,-0.3 5,-0.6 0.222 85.8 109.3-114.1 12.0 17.9 25.5 56.8 138 138 A S T 45S+ 0 0 1 -3,-0.5 -80,-0.3 -5,-0.2 4,-0.3 0.851 86.7 32.1 -56.0 -46.2 15.7 25.0 53.7 139 139 A F T >5S+ 0 0 11 -4,-0.3 4,-1.6 3,-0.1 -1,-0.1 0.960 124.6 36.5 -82.0 -57.7 17.0 21.4 53.0 140 140 A W H >5S+ 0 0 69 -4,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.813 115.6 50.8 -71.7 -30.2 17.8 19.8 56.3 141 141 A G H X5S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.895 111.9 49.9 -71.3 -35.6 15.0 21.3 58.4 142 142 A M H >< S+ 0 0 2 -4,-2.3 3,-0.8 2,-0.2 4,-0.5 0.901 114.4 47.4 -68.1 -39.9 11.2 12.5 58.8 148 148 A A H >< S+ 0 0 0 -4,-4.4 3,-1.8 1,-0.3 36,-0.4 0.961 108.5 56.9 -68.2 -44.6 9.7 13.5 62.2 149 149 A H H 3< S+ 0 0 97 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.685 105.5 51.0 -57.6 -18.6 6.3 13.6 60.6 150 150 A S T << S+ 0 0 23 -3,-0.8 -81,-0.6 -4,-0.6 -1,-0.3 0.449 84.1 113.1-100.4 -1.2 6.7 9.9 59.5 151 151 A A < - 0 0 0 -3,-1.8 2,-0.3 -4,-0.5 33,-0.3 -0.291 41.7-178.2 -69.3 151.9 7.7 8.5 62.8 152 152 A E + 0 0 63 -82,-0.3 -80,-2.7 2,-0.2 -78,-0.3 -0.964 48.2 8.5-148.8 148.9 5.3 6.1 64.6 153 153 A G E S- c 0 187B 0 33,-2.4 35,-1.5 -2,-0.3 36,-1.1 -0.604 114.6 -0.4 83.3-149.2 5.6 4.4 68.0 154 154 A E E - c 0 189B 70 -2,-0.2 2,-0.4 34,-0.2 -80,-0.3 -0.660 68.5-156.6 -77.3 144.8 8.4 5.2 70.5 155 155 A V E - c 0 190B 0 34,-3.6 36,-3.0 -2,-0.3 2,-0.4 -0.890 4.0-145.8-126.9 138.6 10.7 7.9 69.2 156 156 A T E -bc 75 191B 2 -82,-2.2 -80,-2.8 -2,-0.4 2,-0.5 -0.953 12.5-173.2-114.1 132.3 14.2 8.2 70.6 157 157 A Y E -bc 76 192B 0 34,-2.4 36,-1.8 -2,-0.4 2,-0.5 -0.936 8.9-166.4-123.1 104.3 16.2 11.4 71.0 158 158 A M E -bc 77 193B 0 -82,-2.8 -80,-1.4 -2,-0.5 2,-0.3 -0.801 17.2-179.2 -93.5 136.8 19.8 10.9 72.0 159 159 A V E -bc 78 194B 1 34,-2.6 36,-3.2 -2,-0.5 2,-0.5 -0.880 33.9-107.8-139.8 157.4 21.5 14.0 73.2 160 160 A D E + c 0 195B 14 -82,-1.4 3,-0.2 -2,-0.3 36,-0.2 -0.751 33.2 170.7 -81.0 125.0 24.8 15.4 74.5 161 161 A G + 0 0 0 34,-2.6 42,-1.9 -2,-0.5 43,-1.7 -0.098 66.0 70.1-127.5 34.2 24.6 16.1 78.3 162 162 A S S S+ 0 0 5 40,-0.2 39,-0.2 41,-0.2 -1,-0.1 0.066 72.8 103.8-133.4 19.7 28.3 16.8 79.1 163 163 A N - 0 0 20 3,-0.3 3,-0.3 -3,-0.2 5,-0.1 -0.925 48.2-170.0-110.2 109.7 28.4 20.2 77.2 164 164 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 38,-0.0 0.680 88.4 49.7 -72.8 -18.5 28.3 23.3 79.4 165 165 A K S S+ 0 0 171 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.703 114.0 41.2 -93.3 -22.1 27.8 25.6 76.3 166 166 A V S S- 0 0 33 -3,-0.3 -3,-0.3 -87,-0.0 -1,-0.2 -0.857 79.9-141.0-133.9 103.7 24.9 23.8 74.7 167 167 A P - 0 0 46 0, 0.0 -7,-0.1 0, 0.0 3,-0.1 -0.166 26.7-111.0 -56.1 149.3 22.1 22.4 76.9 168 168 A A S S+ 0 0 1 1,-0.2 2,-0.5 -9,-0.1 -8,-0.1 0.784 105.1 39.2 -53.8 -34.6 20.5 19.0 76.0 169 169 A Y + 0 0 26 -10,-0.1 -1,-0.2 6,-0.0 44,-0.1 -0.927 67.2 165.6-129.3 122.8 17.3 20.6 75.0 170 170 A R - 0 0 80 -2,-0.5 6,-0.6 1,-0.1 3,-0.5 -0.970 33.0-142.7-133.7 138.3 17.0 23.9 73.1 171 171 A P S S+ 0 0 82 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.961 101.7 54.6 -61.2 -55.7 14.0 25.4 71.3 172 172 A D S S+ 0 0 136 4,-0.1 2,-0.3 5,-0.1 3,-0.0 -0.417 90.1 100.0 -84.1 61.1 16.0 26.9 68.5 173 173 A S S > S- 0 0 8 -2,-2.1 4,-2.4 -3,-0.5 5,-0.3 -0.875 92.1-103.8-134.3 159.1 17.5 23.5 67.6 174 174 A F H >>S+ 0 0 69 -2,-0.3 4,-3.5 1,-0.2 5,-1.7 0.886 123.3 51.8 -57.7 -35.4 16.4 21.3 64.8 175 175 A F H 4>S+ 0 0 4 3,-0.2 5,-2.7 1,-0.2 -1,-0.2 0.846 112.7 42.5 -66.0 -45.3 14.7 19.1 67.4 176 176 A G H 45S+ 0 0 14 -6,-0.6 -1,-0.2 3,-0.1 -2,-0.2 0.764 128.2 31.9 -74.2 -23.1 12.8 21.9 69.1 177 177 A K H <5S+ 0 0 62 -4,-2.4 -2,-0.2 -7,-0.1 -3,-0.2 0.781 133.9 12.8-102.6 -35.2 11.9 23.5 65.6 178 178 A Y T <5S+ 0 0 24 -4,-3.5 -3,-0.2 -5,-0.3 -30,-0.1 0.772 125.2 38.7-111.8 -42.2 11.5 20.7 63.1 179 179 A E T > - 0 0 26 -36,-0.4 3,-2.6 -33,-0.3 -2,-0.1 -0.570 32.9 -95.2 -98.7 172.2 2.1 13.2 65.0 185 185 A N T 3 S+ 0 0 159 1,-0.3 -2,-0.1 -2,-0.2 -33,-0.1 0.249 116.0 81.1 -70.9 15.4 -0.1 11.3 67.2 186 186 A K T 3 S+ 0 0 79 -35,-0.2 -33,-2.4 -34,-0.0 2,-0.5 0.633 80.5 89.2 -85.0 -16.0 1.1 8.1 65.6 187 187 A V E < +c 153 0B 5 -3,-2.6 -33,-0.2 -35,-0.3 3,-0.1 -0.722 54.5 176.6 -84.1 127.5 3.9 8.8 68.1 188 188 A T E + 0 0 86 -35,-1.5 36,-1.5 -2,-0.5 2,-0.3 0.745 59.8 11.6-105.0 -30.5 3.4 7.2 71.4 189 189 A R E -cd 154 224B 65 -36,-1.1 -34,-3.6 34,-0.2 2,-0.6 -0.974 51.3-147.1-162.9 135.2 6.4 8.0 73.4 190 190 A V E -cd 155 225B 0 34,-2.3 36,-1.7 -2,-0.3 2,-0.5 -0.945 22.8-169.2-104.0 115.0 9.5 10.2 73.3 191 191 A K E -cd 156 226B 37 -36,-3.0 -34,-2.4 -2,-0.6 2,-0.4 -0.940 5.3-157.4-107.9 118.3 12.4 8.4 75.0 192 192 A V E -cd 157 227B 0 34,-3.5 36,-1.6 -2,-0.5 2,-0.5 -0.851 7.1-162.7-106.8 140.2 15.5 10.5 75.7 193 193 A I E -cd 158 228B 2 -36,-1.8 -34,-2.6 -2,-0.4 2,-0.6 -0.994 13.1-150.5-113.5 114.1 18.9 9.0 76.1 194 194 A V E -cd 159 229B 0 34,-3.5 36,-2.7 -2,-0.5 2,-0.7 -0.836 9.1-143.6 -89.7 128.2 21.4 11.5 77.8 195 195 A L E -c 160 0B 0 -36,-3.2 -34,-2.6 -2,-0.6 2,-0.9 -0.776 12.8-169.8 -97.4 113.7 24.9 11.0 76.8 196 196 A H - 0 0 14 -2,-0.7 3,-0.1 -36,-0.2 6,-0.1 -0.805 26.7-135.2 -99.5 88.5 27.5 11.6 79.5 197 197 A R - 0 0 62 -2,-0.9 -2,-0.0 1,-0.1 -37,-0.0 -0.212 30.6-102.0 -44.4 126.4 30.8 11.6 77.5 198 198 A L S S+ 0 0 21 1,-0.2 2,-1.3 40,-0.1 -1,-0.1 -0.264 101.8 15.3 -54.7 140.8 33.4 9.4 79.4 199 199 A G S S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.696 108.3 96.1 96.1 -73.8 36.0 11.4 81.3 200 200 A E S S- 0 0 119 -2,-1.3 2,-0.4 1,-0.1 -1,-0.2 0.358 80.4 -78.2 -55.0 167.3 34.1 14.7 81.2 201 201 A K - 0 0 143 -39,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.562 39.0-124.8 -73.7 126.5 31.8 16.7 83.4 202 202 A I + 0 0 91 -2,-0.4 -40,-0.2 1,-0.2 3,-0.1 -0.523 36.1 165.4 -73.2 116.8 28.1 15.9 83.6 203 203 A I + 0 0 52 -42,-1.9 2,-0.5 -2,-0.4 -41,-0.2 0.854 57.0 47.5-102.3 -47.5 26.1 18.9 82.7 204 204 A E - 0 0 20 -43,-1.7 2,-0.3 -9,-0.1 -1,-0.2 -0.830 57.6-175.7-110.6 131.7 22.6 17.6 82.1 205 205 A K >> - 0 0 104 -2,-0.5 3,-1.1 -3,-0.1 4,-1.0 -0.816 34.4-105.1-116.5 155.2 20.5 15.3 84.2 206 206 A d T 34 S+ 0 0 33 -2,-0.3 6,-0.1 1,-0.3 23,-0.1 -0.541 107.8 21.8 -75.1 148.8 17.2 13.9 83.4 207 207 A G T 34 S+ 0 0 47 -2,-0.2 -1,-0.3 4,-0.1 5,-0.0 0.748 115.9 80.9 64.0 27.8 14.4 15.5 85.4 208 208 A A T <4 S- 0 0 55 -3,-1.1 -2,-0.2 0, 0.0 -4,-0.0 0.673 89.6 -7.1-132.6 -60.5 16.6 18.5 86.0 209 209 A G S >X S- 0 0 32 -4,-1.0 4,-1.4 3,-0.1 3,-0.7 0.489 122.8 -17.3-114.2-102.9 17.3 21.3 83.6 210 210 A S H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.694 131.6 67.9 -74.9 -16.6 16.2 21.7 80.1 211 211 A L H 3> S+ 0 0 0 -6,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.830 103.6 46.4 -71.2 -15.4 15.6 17.9 80.3 212 212 A L H <> S+ 0 0 49 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.828 108.3 51.6 -91.6 -34.4 12.8 19.0 82.7 213 213 A D H X S+ 0 0 94 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.947 114.3 46.3 -65.6 -40.7 11.5 21.7 80.5 214 214 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.878 106.3 58.6 -63.7 -44.3 11.4 19.0 77.7 215 215 A E H X S+ 0 0 51 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.909 110.9 41.4 -50.3 -48.7 9.8 16.5 79.9 216 216 A K H X S+ 0 0 119 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.727 114.3 50.6 -69.9 -38.4 6.8 18.8 80.6 217 217 A L H X S+ 0 0 63 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.856 109.3 51.9 -67.6 -44.7 6.5 20.0 77.0 218 218 A V H ><>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 3,-0.5 0.954 114.8 41.2 -56.0 -52.6 6.5 16.5 75.7 219 219 A K H ><5S+ 0 0 107 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.811 109.6 59.1 -68.3 -28.4 3.7 15.5 78.1 220 220 A A H 3<5S+ 0 0 63 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.814 104.4 52.2 -66.0 -27.7 2.0 18.8 77.4 221 221 A K T <<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.356 124.4-109.1 -91.6 11.9 2.0 17.5 73.8 222 222 A H T < 5S+ 0 0 170 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.639 77.3 124.0 71.4 23.8 0.4 14.3 75.0 223 223 A F < - 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