==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-06 2I66 . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,I.A.KRIKSUNOV,R.GRAEFF,C.MUNSHI,H.C.LEE,Q.HAO . 504 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 65.9 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 . 5 1.0 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 . 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 . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 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 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 0 179 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.4 21.9 -20.8 13.7 2 46 A W + 0 0 211 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.351 360.0 45.4 -92.2 -3.7 23.0 -18.1 16.2 3 47 A R S S- 0 0 151 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.961 76.6-149.2-144.5 125.3 23.4 -15.8 13.1 4 48 A Q - 0 0 68 -2,-0.3 124,-0.0 2,-0.2 -2,-0.0 -0.510 21.6-122.6 -93.3 162.3 21.1 -15.4 10.2 5 49 A T S S+ 0 0 85 -2,-0.2 2,-0.2 123,-0.1 -1,-0.1 0.924 94.3 36.5 -66.4 -47.2 22.0 -14.6 6.5 6 50 A W S S- 0 0 52 2,-0.2 -2,-0.2 124,-0.1 4,-0.1 -0.643 75.7-128.3-109.5 166.5 19.9 -11.4 6.4 7 51 A S S S+ 0 0 72 -2,-0.2 -1,-0.1 121,-0.1 -2,-0.0 0.564 82.4 77.5 -90.2 -12.1 19.1 -8.7 8.9 8 52 A G B S-A 129 0A 9 121,-1.5 121,-1.1 1,-0.1 -2,-0.2 -0.520 92.7 -82.0 -96.4 164.6 15.3 -8.8 8.5 9 53 A P - 0 0 104 0, 0.0 119,-0.2 0, 0.0 120,-0.2 -0.301 52.1-116.6 -57.3 147.7 12.6 -11.2 9.8 10 54 A G - 0 0 16 117,-0.5 116,-0.3 116,-0.4 119,-0.2 -0.075 51.2 -50.8 -80.7-177.6 12.1 -14.4 7.8 11 55 A T - 0 0 7 114,-2.4 104,-0.2 117,-0.3 -1,-0.2 -0.277 68.3 -96.7 -59.9 137.2 9.1 -15.5 5.8 12 56 A T > - 0 0 41 102,-2.3 3,-1.3 1,-0.1 -1,-0.1 -0.267 52.6 -94.9 -54.7 135.2 5.8 -15.5 7.8 13 57 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.220 108.7 9.4 -57.7 142.1 5.1 -19.0 9.1 14 58 A R T 3> S+ 0 0 157 -3,-0.1 4,-2.5 3,-0.1 -1,-0.3 0.838 80.9 164.1 53.4 37.7 2.8 -21.0 6.8 15 59 A F H <> + 0 0 0 -3,-1.3 4,-2.7 2,-0.2 5,-0.3 0.905 68.8 49.6 -46.5 -53.1 3.1 -18.3 4.1 16 60 A P H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.912 114.5 44.1 -58.5 -47.1 1.8 -20.5 1.2 17 61 A E H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.856 113.6 52.2 -63.0 -40.9 -1.2 -21.7 3.2 18 62 A T H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.923 111.7 44.2 -64.9 -46.0 -1.9 -18.1 4.4 19 63 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.921 114.3 50.3 -65.5 -43.3 -1.8 -16.5 1.0 20 64 A L H X S+ 0 0 59 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.943 111.9 47.5 -61.1 -47.5 -4.0 -19.3 -0.5 21 65 A A H X S+ 0 0 60 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.898 111.4 50.8 -59.7 -43.9 -6.6 -19.0 2.3 22 66 A R H X S+ 0 0 58 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.883 109.4 50.9 -62.1 -39.0 -6.6 -15.2 1.9 23 67 A a H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.958 111.4 47.6 -66.0 -46.9 -7.2 -15.6 -1.8 24 68 A V H X S+ 0 0 60 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.958 114.8 46.1 -57.4 -50.4 -10.1 -18.0 -1.2 25 69 A K H X S+ 0 0 113 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.938 114.0 47.8 -57.5 -51.0 -11.7 -15.7 1.4 26 70 A Y H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.927 112.6 47.6 -54.5 -49.9 -11.3 -12.5 -0.8 27 71 A T H < S+ 0 0 16 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.764 111.1 52.6 -71.3 -21.4 -12.7 -14.2 -3.9 28 72 A E H < S+ 0 0 143 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.910 117.7 36.5 -74.2 -41.5 -15.6 -15.5 -1.9 29 73 A I H < S+ 0 0 105 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.873 109.3 62.7 -79.3 -43.6 -16.5 -12.1 -0.5 30 74 A H >< - 0 0 55 -4,-3.0 3,-1.5 -5,-0.2 4,-0.2 -0.779 68.6-158.4 -95.2 109.3 -15.8 -9.8 -3.4 31 75 A P G > S+ 0 0 82 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.791 86.4 60.7 -63.2 -32.0 -18.0 -10.7 -6.3 32 76 A E G 3 S+ 0 0 93 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.712 109.8 44.9 -67.7 -17.9 -15.9 -9.1 -9.1 33 77 A M G X S+ 0 0 5 -3,-1.5 3,-1.9 -7,-0.2 -1,-0.3 0.289 78.7 114.4-106.5 8.6 -13.1 -11.6 -8.2 34 78 A R T < S+ 0 0 197 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.642 77.1 48.5 -46.1 -27.5 -15.4 -14.6 -7.9 35 79 A H T 3 S+ 0 0 155 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.472 78.4 121.6-103.5 -6.5 -13.8 -16.3 -10.8 36 80 A V < - 0 0 21 -3,-1.9 2,-0.8 1,-0.1 3,-0.1 -0.327 61.6-131.7 -60.8 139.4 -10.1 -15.9 -9.9 37 81 A D > - 0 0 94 1,-0.1 4,-1.8 31,-0.1 3,-0.1 -0.880 16.1-162.6 -95.5 111.1 -8.2 -19.3 -9.6 38 82 A a H > S+ 0 0 16 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.780 87.6 57.7 -71.8 -29.0 -6.4 -19.0 -6.3 39 83 A Q H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 108.0 48.9 -60.4 -42.7 -4.0 -21.8 -7.1 40 84 A S H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.890 109.7 51.9 -65.0 -39.4 -3.0 -19.8 -10.1 41 85 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.930 110.8 47.5 -63.4 -47.7 -2.5 -16.7 -8.0 42 86 A W H X S+ 0 0 18 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.920 110.5 52.1 -58.8 -44.9 -0.3 -18.6 -5.6 43 87 A D H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 112.9 44.5 -58.0 -39.6 1.8 -20.1 -8.4 44 88 A A H X S+ 0 0 15 -4,-2.2 4,-0.9 2,-0.2 21,-0.4 0.853 113.4 50.2 -74.2 -34.2 2.4 -16.7 -9.9 45 89 A F H >X S+ 0 0 0 -4,-2.2 3,-1.1 2,-0.2 4,-0.6 0.975 113.6 46.3 -67.8 -52.5 3.1 -15.1 -6.5 46 90 A K H >X S+ 0 0 76 -4,-3.1 4,-2.7 1,-0.2 3,-1.4 0.902 106.3 59.7 -52.7 -44.6 5.6 -18.0 -5.8 47 91 A G H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 95.2 65.4 -60.8 -24.8 7.1 -17.5 -9.3 48 92 A A H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.9 10,-0.2 0.803 122.5 8.1 -65.1 -35.3 8.1 -14.0 -8.5 49 93 A F H X< S+ 0 0 0 -3,-1.4 3,-1.5 -4,-0.6 68,-0.3 0.607 93.5 107.6-127.9 -18.7 10.6 -14.9 -5.8 50 94 A I T 3< S+ 0 0 22 -4,-2.7 72,-0.2 1,-0.3 3,-0.1 -0.442 94.7 7.6 -69.7 137.7 11.3 -18.6 -5.6 51 95 A S T 3 S+ 0 0 50 70,-0.7 69,-1.3 67,-0.3 2,-0.3 0.570 108.2 112.6 71.0 11.5 14.7 -19.7 -6.9 52 96 A K S < S- 0 0 65 -3,-1.5 -1,-0.2 67,-0.2 65,-0.2 -0.834 80.2-102.4-116.3 150.6 15.7 -16.0 -7.2 53 97 A H > - 0 0 77 -2,-0.3 3,-2.2 3,-0.2 65,-0.1 -0.583 30.5-136.3 -69.8 128.6 18.3 -14.0 -5.3 54 98 A P T 3 S+ 0 0 4 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.473 102.5 55.5 -77.3 4.2 16.3 -12.0 -2.8 55 99 A b T 3 S+ 0 0 29 84,-0.1 83,-0.3 1,-0.1 84,-0.2 0.231 103.4 58.0-105.6 13.6 18.4 -8.9 -3.5 56 100 A D < + 0 0 109 -3,-2.2 2,-0.3 81,-0.1 -3,-0.2 -0.215 68.8 136.4-134.8 42.4 17.7 -9.1 -7.2 57 101 A I - 0 0 1 81,-2.5 2,-0.3 -3,-0.2 -8,-0.1 -0.705 30.1-169.4 -94.9 145.3 13.9 -8.9 -7.6 58 102 A T >> - 0 0 32 -2,-0.3 3,-0.6 -10,-0.2 4,-0.5 -0.782 38.2-106.4-126.4 170.5 12.4 -6.7 -10.2 59 103 A E G >4 S+ 0 0 41 -2,-0.3 3,-1.2 1,-0.2 4,-0.2 0.837 116.9 64.9 -67.5 -28.9 8.9 -5.5 -11.0 60 104 A E G >4 S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.819 90.2 65.1 -64.0 -32.2 8.8 -7.9 -14.0 61 105 A D G <4 S+ 0 0 31 -3,-0.6 -1,-0.3 1,-0.3 4,-0.3 0.837 104.7 45.7 -58.5 -33.4 9.0 -10.8 -11.6 62 106 A Y G S+ 0 0 62 -3,-1.6 4,-2.7 -4,-0.2 5,-0.2 0.921 80.3 53.1 -67.5 -40.9 3.9 -9.2 -13.7 64 108 A P H > S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.925 113.6 45.8 -54.5 -41.1 2.3 -12.7 -13.9 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.861 110.4 53.0 -68.6 -41.3 0.8 -12.0 -10.4 66 110 A M H < S+ 0 0 10 -4,-2.4 -1,-0.2 2,-0.2 -3,-0.2 0.897 108.0 51.1 -59.9 -42.6 -0.3 -8.4 -11.4 67 111 A K H >< S+ 0 0 172 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.944 112.1 46.9 -60.5 -48.5 -2.1 -9.8 -14.5 68 112 A L H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 113.0 47.6 -63.9 -34.4 -4.0 -12.3 -12.4 69 113 A G T 3< S+ 0 0 7 -4,-2.0 37,-0.3 -5,-0.1 -1,-0.3 0.184 77.6 146.4 -96.2 16.9 -4.9 -9.8 -9.7 70 114 A T < + 0 0 105 -3,-1.4 2,-0.3 -4,-0.1 -3,-0.1 -0.285 24.4 167.7 -48.0 127.1 -6.1 -7.3 -12.3 71 115 A Q - 0 0 40 2,-0.0 2,-0.2 33,-0.0 -2,-0.1 -0.943 37.8-123.1-157.7 134.1 -9.1 -5.5 -10.7 72 116 A T - 0 0 126 -2,-0.3 -40,-0.1 -40,-0.1 83,-0.0 -0.520 27.8-168.3 -71.6 136.5 -11.2 -2.4 -11.2 73 117 A V - 0 0 22 -2,-0.2 2,-0.7 82,-0.1 5,-0.1 -0.968 37.8-101.7-125.4 135.7 -11.3 0.0 -8.2 74 118 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 25,-0.2 -0.541 40.4-152.5 -56.7 107.9 -13.8 2.9 -7.9 75 119 A c G > S+ 0 0 45 -2,-0.7 82,-2.5 1,-0.3 3,-0.5 0.717 85.6 52.0 -65.3 -25.5 -11.2 5.5 -9.0 76 120 A N G 3 S+ 0 0 70 1,-0.2 -1,-0.3 80,-0.2 83,-0.3 0.318 103.3 59.7 -94.7 5.1 -12.7 8.5 -7.2 77 121 A K G < S+ 0 0 89 -3,-1.9 22,-2.5 81,-0.1 2,-0.3 -0.036 70.4 139.0-122.3 32.2 -12.9 6.8 -3.8 78 122 A I B < -b 99 0B 0 -3,-0.5 83,-2.1 81,-0.3 2,-0.5 -0.617 32.1-164.7 -88.4 135.3 -9.2 5.9 -3.2 79 123 A L E -c 161 0C 1 20,-2.6 22,-0.4 -2,-0.3 83,-0.2 -0.988 5.8-172.4-120.9 118.0 -7.7 6.4 0.3 80 124 A L E -c 162 0C 3 81,-3.3 83,-2.3 -2,-0.5 2,-0.3 -0.582 8.8-174.9 -98.4 165.4 -3.9 6.4 0.6 81 125 A W E -c 163 0C 59 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.990 19.4-155.8-154.9 164.4 -2.1 6.4 3.9 82 126 A S E S-c 164 0C 8 81,-1.9 83,-0.9 -2,-0.3 -2,-0.0 -0.937 78.9 -19.5-146.5 121.1 1.3 6.6 5.6 83 127 A R S S+ 0 0 95 -2,-0.4 81,-0.1 81,-0.1 3,-0.1 0.629 121.6 79.4 63.8 16.8 2.2 5.2 9.1 84 128 A I > + 0 0 30 79,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.126 46.1 138.1-144.4 40.3 -1.5 5.2 10.0 85 129 A K H > + 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.837 66.0 60.7 -67.7 -33.6 -2.9 2.0 8.4 86 130 A D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 108.7 42.6 -60.1 -44.5 -5.1 0.9 11.3 87 131 A L H > S+ 0 0 14 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.914 112.3 54.8 -68.6 -38.4 -7.3 4.0 11.3 88 132 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.938 113.5 42.5 -58.8 -44.5 -7.4 4.0 7.5 89 133 A H H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.894 112.3 51.3 -71.7 -41.5 -8.8 0.4 7.6 90 134 A Q H X S+ 0 0 102 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.898 111.7 50.4 -60.8 -39.7 -11.2 1.1 10.5 91 135 A F H >X S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.2 4,-0.6 0.946 111.2 45.1 -61.5 -52.1 -12.5 4.1 8.6 92 136 A T H 3X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.3 3,-0.2 0.818 106.1 63.9 -68.0 -25.1 -13.1 2.2 5.3 93 137 A Q H 3< S+ 0 0 139 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.704 87.5 71.4 -69.5 -18.0 -14.7 -0.7 7.2 94 138 A V H << S- 0 0 47 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.960 131.6 -26.0 -65.2 -51.8 -17.6 1.3 8.5 95 139 A Q H < S- 0 0 102 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.120 87.1-101.6-155.6 20.2 -19.6 1.8 5.2 96 140 A R < + 0 0 179 -4,-1.8 -4,-0.1 -5,-0.2 -3,-0.1 0.855 62.2 156.8 59.1 44.0 -17.0 1.5 2.5 97 141 A D S S+ 0 0 64 -6,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.811 70.6 9.9 -69.8 -32.3 -16.8 5.3 1.9 98 142 A M S S- 0 0 20 -6,-0.1 2,-0.4 -7,-0.1 -20,-0.2 -0.892 72.4-128.7-137.7 174.8 -13.3 4.8 0.5 99 143 A F B -b 78 0B 45 -22,-2.5 -20,-2.6 -2,-0.3 2,-0.2 -0.994 16.6-163.6-129.9 128.8 -10.9 1.9 -0.7 100 144 A T > - 0 0 0 -2,-0.4 3,-1.8 -22,-0.2 4,-0.3 -0.533 41.7 -97.5-102.0 175.1 -7.3 1.4 0.4 101 145 A L G > S+ 0 0 11 -22,-0.4 3,-1.7 1,-0.3 6,-0.7 0.856 124.5 61.1 -61.2 -30.2 -4.7 -0.8 -1.3 102 146 A E G 3 S+ 0 0 16 1,-0.3 -1,-0.3 5,-0.3 9,-0.1 0.582 91.7 66.6 -77.1 -5.2 -5.5 -3.5 1.2 103 147 A D G < S+ 0 0 45 -3,-1.8 -1,-0.3 4,-0.1 2,-0.2 0.505 90.2 82.2 -84.5 -8.9 -9.2 -3.6 -0.1 104 148 A T S <> S- 0 0 16 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 -0.602 95.1-110.9 -91.0 159.8 -7.8 -4.9 -3.4 105 149 A L H > S+ 0 0 0 -36,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 116.2 45.1 -56.0 -47.6 -7.0 -8.7 -3.8 106 150 A L H > S+ 0 0 12 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.900 113.9 46.7 -69.0 -41.0 -3.3 -8.1 -4.0 107 151 A G H > S+ 0 0 0 -6,-0.7 4,-1.6 1,-0.2 -5,-0.3 0.894 113.3 51.2 -65.5 -40.1 -3.0 -5.8 -1.1 108 152 A Y H < S+ 0 0 68 -4,-2.4 -2,-0.2 -7,-0.4 -1,-0.2 0.907 107.6 53.1 -60.9 -43.3 -5.2 -8.1 1.0 109 153 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.890 119.8 31.3 -59.5 -42.7 -3.0 -11.2 0.1 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -5,-0.2 -1,-0.2 0.563 80.6 130.1-100.0 -9.6 0.2 -9.6 1.3 111 155 A D T 3< S- 0 0 23 -4,-1.6 3,-0.1 1,-0.3 -3,-0.0 -0.210 87.9 -3.0 -53.6 129.6 -0.8 -7.2 4.1 112 156 A D T 3 S+ 0 0 116 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.502 107.2 122.8 67.7 7.9 1.4 -7.8 7.2 113 157 A L < - 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0 0 22 -5,-2.0 3,-0.3 1,-0.1 -1,-0.2 -0.903 24.5-142.6-171.7 144.0 19.0 -4.3 -0.1 137 181 A S S S+ 0 0 44 -2,-0.3 2,-1.3 1,-0.2 -5,-0.1 0.722 93.3 74.5 -78.6 -25.6 16.0 -2.4 -1.4 138 182 A N S S+ 0 0 34 -83,-0.3 -81,-2.5 4,-0.1 -1,-0.2 -0.283 70.7 133.4 -87.3 50.3 15.3 -4.9 -4.3 139 183 A N S > S- 0 0 7 -2,-1.3 4,-2.7 -3,-0.3 5,-0.3 -0.580 71.5-102.8-100.4 161.4 13.9 -7.6 -2.0 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.873 118.2 42.7 -55.3 -42.4 10.7 -9.6 -2.7 141 185 A V H > S+ 0 0 28 -26,-0.4 4,-2.3 2,-0.2 5,-0.2 0.943 116.2 45.1 -70.4 -48.7 8.5 -7.6 -0.2 142 186 A S H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 114.9 49.1 -62.5 -40.2 9.8 -4.1 -1.0 143 187 A V H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.893 109.1 53.1 -67.5 -40.8 9.5 -4.7 -4.7 144 188 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 5,-0.3 0.950 111.2 45.6 -56.0 -51.0 5.9 -6.1 -4.4 145 189 A W H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.882 112.6 49.7 -66.6 -35.9 4.7 -3.0 -2.5 146 190 A K H X S+ 0 0 54 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.919 114.1 47.0 -67.6 -39.3 6.3 -0.6 -4.9 147 191 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.948 117.3 39.4 -66.0 -53.2 4.8 -2.5 -7.8 148 192 A V H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.886 114.7 53.4 -67.0 -39.7 1.3 -2.8 -6.5 149 193 A S H X S+ 0 0 4 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.882 106.5 53.1 -63.5 -42.3 1.2 0.7 -5.0 150 194 A R H X S+ 0 0 72 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.935 110.8 46.3 -56.9 -50.6 2.3 2.3 -8.3 151 195 A R H X S+ 0 0 101 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.902 111.8 51.0 -60.3 -38.2 -0.6 0.6 -10.1 152 196 A F H >X S+ 0 0 9 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.941 110.7 49.0 -66.2 -47.1 -3.1 1.6 -7.4 153 197 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 34,-0.4 0.911 107.3 55.5 -58.4 -40.8 -1.9 5.2 -7.6 154 198 A E H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 102.8 57.8 -64.6 -22.2 -2.3 5.1 -11.5 155 199 A A H << S+ 0 0 31 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.608 85.4 106.8 -84.9 -14.4 -5.9 4.0 -11.1 156 200 A A << + 0 0 0 -3,-1.4 31,-0.4 -4,-0.5 2,-0.3 -0.305 41.6 169.7 -70.7 145.3 -6.9 7.1 -9.1 157 201 A c + 0 0 9 -82,-2.5 34,-0.3 2,-0.2 -79,-0.3 -0.925 45.5 6.7-140.6 174.1 -9.1 9.9 -10.4 158 202 A D E S+ d 0 191C 81 32,-2.6 34,-1.9 -2,-0.3 35,-1.9 -0.307 120.7 5.0 59.9-121.4 -11.0 13.0 -9.1 159 203 A V E S- d 0 193C 43 -83,-0.3 2,-0.4 33,-0.2 -81,-0.3 -0.876 70.6-167.7 -99.9 120.4 -10.4 13.7 -5.4 160 204 A V E - 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