==== 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 3DZK . 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) . 26329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 65.3 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 . 6 1.2 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 . 60 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 30.4 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 3 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 182 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.8 21.9 -21.3 14.9 2 46 A W + 0 0 210 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.463 360.0 48.6-100.7 -9.6 23.1 -18.1 16.5 3 47 A R - 0 0 141 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.992 67.9-149.3-138.5 135.0 23.6 -15.9 13.4 4 48 A Q - 0 0 74 -2,-0.4 124,-0.0 2,-0.1 -2,-0.0 -0.558 21.1-125.9-101.2 160.6 21.3 -15.2 10.5 5 49 A T S S+ 0 0 89 -2,-0.2 2,-0.2 123,-0.1 -1,-0.1 0.938 94.0 32.6 -66.9 -46.3 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 -0.615 74.3-127.7-112.0 169.0 20.1 -11.3 6.8 7 51 A S S S+ 0 0 73 -2,-0.2 3,-0.1 121,-0.1 -1,-0.0 0.490 81.6 79.4 -93.3 -10.7 19.2 -8.5 9.3 8 52 A G B S-A 129 0A 9 121,-1.6 121,-1.3 1,-0.1 -2,-0.2 -0.617 92.8 -82.6 -97.6 159.1 15.4 -8.6 8.9 9 53 A P - 0 0 102 0, 0.0 120,-0.2 0, 0.0 119,-0.2 -0.220 53.6-115.5 -49.3 144.9 12.7 -11.0 10.3 10 54 A G - 0 0 16 117,-0.5 116,-0.2 116,-0.3 119,-0.2 -0.173 51.2 -51.7 -82.1 179.3 12.3 -14.1 8.2 11 55 A T - 0 0 7 114,-2.7 104,-0.3 117,-0.3 -1,-0.2 -0.161 69.5 -94.8 -55.9 142.1 9.3 -15.2 6.1 12 56 A T > - 0 0 42 102,-2.9 3,-1.4 1,-0.1 -1,-0.1 -0.302 51.2 -97.6 -61.2 137.2 5.9 -15.2 8.0 13 57 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.204 108.2 9.7 -60.4 147.1 5.2 -18.7 9.4 14 58 A R T 3> S+ 0 0 154 -3,-0.1 4,-2.6 1,-0.1 -1,-0.3 0.820 81.9 162.3 49.1 36.6 2.9 -20.7 7.2 15 59 A F H <> + 0 0 0 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.899 68.5 49.4 -48.0 -53.0 3.2 -18.0 4.5 16 60 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.922 115.1 43.0 -56.8 -49.7 1.9 -20.2 1.6 17 61 A E H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.861 114.4 52.3 -63.8 -38.0 -1.2 -21.4 3.5 18 62 A T H X S+ 0 0 39 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.917 111.4 44.4 -66.4 -45.5 -1.8 -17.8 4.8 19 63 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.946 115.0 49.9 -65.0 -47.5 -1.7 -16.3 1.3 20 64 A L H X S+ 0 0 59 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.910 111.6 47.1 -56.5 -48.5 -3.8 -19.0 -0.1 21 65 A A H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.856 112.1 51.3 -63.0 -37.7 -6.4 -18.7 2.7 22 66 A R H X S+ 0 0 59 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.897 108.9 50.1 -66.7 -40.6 -6.5 -14.9 2.3 23 67 A a H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.938 112.0 48.0 -63.7 -47.7 -7.0 -15.2 -1.5 24 68 A V H X S+ 0 0 59 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.955 114.2 47.2 -53.2 -52.5 -10.0 -17.7 -0.8 25 69 A K H X S+ 0 0 115 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.928 113.5 47.3 -57.4 -49.3 -11.5 -15.3 1.8 26 70 A Y H X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.899 112.6 48.1 -59.0 -44.7 -11.1 -12.2 -0.4 27 71 A T H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.750 109.7 54.0 -73.7 -22.3 -12.6 -13.9 -3.5 28 72 A E H < S+ 0 0 148 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.878 116.1 38.0 -73.8 -38.3 -15.5 -15.2 -1.5 29 73 A I H < S+ 0 0 98 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.902 109.5 61.3 -79.0 -44.5 -16.4 -11.7 -0.2 30 74 A H >< - 0 0 57 -4,-2.8 3,-2.0 -5,-0.2 4,-0.2 -0.760 65.8-161.6 -97.0 104.9 -15.7 -9.6 -3.3 31 75 A P G > S+ 0 0 78 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.778 87.4 60.7 -59.4 -32.3 -18.0 -10.6 -6.1 32 76 A E G 3 S+ 0 0 90 1,-0.3 3,-0.2 2,-0.1 40,-0.1 0.685 107.6 46.7 -68.2 -15.5 -15.9 -8.9 -8.9 33 77 A M G X S+ 0 0 4 -3,-2.0 3,-0.7 -7,-0.2 -1,-0.3 0.263 80.1 114.8-107.6 10.3 -13.0 -11.2 -7.9 34 78 A R T < S+ 0 0 199 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.605 74.7 47.0 -49.7 -29.7 -15.2 -14.3 -7.8 35 79 A H T 3 S+ 0 0 152 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.779 78.5 121.7 -95.1 -31.0 -13.6 -16.1 -10.7 36 80 A V < - 0 0 22 -3,-0.7 2,-0.7 1,-0.1 3,-0.1 0.067 62.3-130.9 -37.3 135.7 -9.9 -15.6 -9.7 37 81 A D > - 0 0 93 1,-0.2 4,-2.0 31,-0.1 3,-0.1 -0.865 15.4-161.0 -98.4 111.1 -8.1 -19.0 -9.3 38 82 A a H > S+ 0 0 15 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.839 88.6 56.3 -72.4 -31.1 -6.3 -18.8 -6.0 39 83 A Q H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.909 108.0 49.8 -55.4 -46.5 -3.9 -21.5 -6.7 40 84 A S H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 110.2 50.6 -60.5 -44.0 -2.8 -19.6 -9.8 41 85 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.943 110.8 48.2 -60.5 -50.0 -2.4 -16.4 -7.6 42 86 A W H X S+ 0 0 21 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.944 111.7 51.2 -54.3 -48.4 -0.2 -18.4 -5.1 43 87 A D H X S+ 0 0 70 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.897 112.0 45.4 -55.5 -46.3 1.8 -19.8 -8.0 44 88 A A H X S+ 0 0 16 -4,-2.6 4,-1.1 2,-0.2 21,-0.4 0.839 112.0 51.5 -65.3 -37.0 2.4 -16.3 -9.5 45 89 A F H >X S+ 0 0 0 -4,-2.4 3,-0.7 -5,-0.2 4,-0.5 0.964 113.3 45.8 -66.2 -50.7 3.3 -14.8 -6.1 46 90 A K H >X S+ 0 0 78 -4,-3.0 4,-2.8 1,-0.2 3,-1.6 0.892 105.9 59.7 -49.2 -51.2 5.8 -17.7 -5.6 47 91 A G H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 96.2 63.9 -56.2 -29.3 7.3 -17.3 -9.1 48 92 A A H << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.7 10,-0.2 0.737 123.3 8.4 -65.4 -30.0 8.2 -13.7 -8.3 49 93 A F H X< S+ 0 0 1 -3,-1.6 3,-1.3 -4,-0.5 68,-0.4 0.592 93.7 106.0-132.6 -18.8 10.7 -14.6 -5.5 50 94 A I T 3< S+ 0 0 23 -4,-2.8 72,-0.1 1,-0.3 3,-0.1 -0.480 95.0 8.8 -71.1 140.7 11.4 -18.3 -5.2 51 95 A S T 3 S+ 0 0 55 70,-0.7 69,-0.9 72,-0.3 2,-0.3 0.628 108.5 111.9 65.5 16.1 14.8 -19.4 -6.5 52 96 A K S < S- 0 0 67 -3,-1.3 65,-0.3 67,-0.2 -1,-0.2 -0.883 80.8-101.1-119.1 148.9 15.8 -15.8 -6.9 53 97 A H > - 0 0 78 -2,-0.3 3,-2.5 3,-0.2 65,-0.1 -0.582 31.2-138.0 -65.7 124.6 18.5 -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 0.344 102.6 54.1 -76.7 4.9 16.4 -11.7 -2.4 55 99 A b T 3 S+ 0 0 30 84,-0.1 83,-0.3 1,-0.1 84,-0.1 0.208 103.4 59.5-107.4 10.6 18.5 -8.7 -3.1 56 100 A D S < S+ 0 0 111 -3,-2.5 2,-0.4 80,-0.1 -3,-0.2 -0.240 70.2 136.0-131.7 43.3 17.9 -8.9 -6.8 57 101 A I - 0 0 2 81,-2.3 2,-0.3 -3,-0.2 -8,-0.1 -0.743 30.2-171.3 -95.0 141.4 14.1 -8.6 -7.1 58 102 A T >> - 0 0 37 -2,-0.4 3,-0.8 -10,-0.2 4,-0.7 -0.829 39.3-107.6-124.3 170.9 12.6 -6.4 -9.8 59 103 A E G >4 S+ 0 0 31 -2,-0.3 3,-1.0 1,-0.3 4,-0.3 0.866 117.4 65.0 -65.3 -29.8 9.1 -5.1 -10.6 60 104 A E G >4 S+ 0 0 83 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.849 90.2 64.5 -58.6 -36.9 9.2 -7.5 -13.5 61 105 A D G <4 S+ 0 0 29 -3,-0.8 4,-0.3 1,-0.3 -1,-0.3 0.851 105.0 46.6 -55.8 -34.9 9.3 -10.4 -11.2 62 106 A Y G S+ 0 0 69 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.909 81.1 52.0 -61.7 -45.1 4.2 -8.8 -13.3 64 108 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.927 114.4 44.4 -57.0 -41.0 2.5 -12.3 -13.5 65 109 A L H > S+ 0 0 0 -21,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.884 111.2 53.7 -67.3 -40.5 1.0 -11.7 -10.1 66 110 A M H < S+ 0 0 7 -4,-2.7 -1,-0.2 2,-0.2 -3,-0.2 0.922 109.2 49.7 -59.4 -43.9 0.0 -8.1 -11.0 67 111 A K H >< S+ 0 0 172 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.955 111.7 46.5 -58.4 -53.1 -1.8 -9.4 -14.0 68 112 A L H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.7 50.3 -59.8 -32.4 -3.7 -12.0 -12.1 69 113 A G T 3< S+ 0 0 7 -4,-2.2 37,-0.3 -5,-0.1 -1,-0.3 0.150 76.0 142.7 -95.4 17.7 -4.6 -9.5 -9.4 70 114 A T < + 0 0 102 -3,-1.8 2,-0.3 35,-0.1 -3,-0.1 -0.380 25.0 168.4 -61.4 135.4 -5.9 -6.8 -11.9 71 115 A Q - 0 0 41 -2,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.973 36.8-124.3-156.9 131.8 -8.9 -5.1 -10.2 72 116 A T - 0 0 134 -2,-0.3 -40,-0.1 -40,-0.1 -2,-0.0 -0.659 27.7-172.3 -76.7 128.8 -11.1 -2.0 -10.8 73 117 A V - 0 0 21 -2,-0.4 2,-0.5 82,-0.1 5,-0.1 -0.940 42.3 -96.9-118.4 135.9 -11.2 0.3 -7.8 74 118 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 25,-0.2 -0.481 39.5-147.8 -54.6 109.9 -13.6 3.3 -7.8 75 119 A c T 3 S+ 0 0 48 -2,-0.5 82,-2.4 1,-0.3 3,-0.5 0.757 90.0 52.5 -63.1 -25.1 -11.0 5.8 -9.0 76 120 A N T 3 S+ 0 0 72 1,-0.2 -1,-0.3 80,-0.2 83,-0.3 0.328 101.3 60.3 -90.3 6.5 -12.6 8.7 -7.0 77 121 A K S < S+ 0 0 88 -3,-1.9 22,-2.5 81,-0.1 2,-0.3 -0.076 70.6 139.3-126.6 31.4 -12.7 7.0 -3.6 78 122 A I B -b 99 0B 0 -3,-0.5 83,-2.2 81,-0.3 2,-0.5 -0.652 31.9-166.0 -87.8 132.2 -9.0 6.3 -3.0 79 123 A L E -c 161 0C 1 20,-2.6 22,-0.4 -2,-0.3 83,-0.2 -0.972 5.7-172.8-116.2 117.9 -7.5 6.8 0.5 80 124 A L E -c 162 0C 3 81,-3.5 83,-2.1 -2,-0.5 2,-0.3 -0.572 8.7-171.6 -94.0 166.3 -3.7 6.8 0.7 81 125 A W E -c 163 0C 53 81,-0.3 2,-0.4 -2,-0.2 83,-0.2 -0.991 18.4-149.5-154.6 161.3 -2.0 6.9 4.1 82 126 A S E S-c 164 0C 7 81,-2.1 83,-0.7 -2,-0.3 -2,-0.0 -0.955 77.4 -28.4-137.5 115.9 1.4 7.2 5.7 83 127 A R S S+ 0 0 90 -2,-0.4 81,-0.1 1,-0.1 85,-0.0 0.793 118.7 85.7 55.1 34.4 2.5 5.6 9.0 84 128 A I > + 0 0 33 79,-0.2 4,-1.6 2,-0.0 -1,-0.1 -0.216 42.7 144.1-153.1 49.4 -1.1 5.6 10.2 85 129 A K H > + 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 62.6 62.4 -70.6 -34.1 -2.7 2.4 8.9 86 130 A D H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.934 108.1 41.7 -59.6 -50.2 -5.0 1.5 11.8 87 131 A L H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 113.6 53.9 -60.0 -45.9 -7.1 4.6 11.6 88 132 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.939 113.6 42.2 -57.4 -42.6 -7.2 4.4 7.8 89 133 A H H X S+ 0 0 22 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.899 112.3 52.3 -70.4 -40.4 -8.5 0.8 8.0 90 134 A Q H X S+ 0 0 92 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.895 110.6 51.3 -62.4 -37.1 -11.0 1.5 10.8 91 135 A F H >X S+ 0 0 8 -4,-2.7 3,-1.2 -5,-0.2 4,-0.6 0.949 110.4 44.4 -66.5 -51.7 -12.4 4.4 8.8 92 136 A T H 3X S+ 0 0 5 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.802 106.3 64.6 -70.6 -23.0 -12.9 2.5 5.5 93 137 A Q H 3< S+ 0 0 143 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.745 88.7 69.8 -64.2 -24.2 -14.5 -0.4 7.5 94 138 A V H << S- 0 0 50 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.954 131.3 -26.3 -63.9 -56.4 -17.5 1.7 8.7 95 139 A Q H < S- 0 0 93 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.150 85.9-101.0-149.1 21.5 -19.4 2.1 5.4 96 140 A R < + 0 0 189 -4,-1.6 -4,-0.1 -5,-0.2 -3,-0.1 0.879 62.6 156.2 54.2 44.7 -16.8 1.8 2.6 97 141 A D S S+ 0 0 63 -6,-0.4 2,-0.2 -5,-0.1 -5,-0.1 0.857 72.3 5.1 -61.8 -37.9 -16.7 5.6 2.2 98 142 A M S S- 0 0 23 -7,-0.1 2,-0.4 -6,-0.1 -20,-0.2 -0.859 72.0-125.5-139.7 176.4 -13.2 5.0 0.7 99 143 A F B -b 78 0B 58 -22,-2.5 -20,-2.6 -2,-0.2 2,-0.2 -0.996 17.5-161.7-129.7 124.6 -10.7 2.2 -0.4 100 144 A T > - 0 0 0 -2,-0.4 3,-2.0 -22,-0.2 4,-0.3 -0.586 40.5 -99.4 -92.5 174.3 -7.1 1.8 0.8 101 145 A L G > S+ 0 0 10 -22,-0.4 3,-1.8 1,-0.3 6,-0.6 0.862 123.8 60.0 -59.2 -33.0 -4.5 -0.4 -0.9 102 146 A E G 3 S+ 0 0 14 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.551 93.2 65.9 -79.4 -4.9 -5.2 -3.1 1.6 103 147 A D G < S+ 0 0 44 -3,-2.0 -1,-0.3 4,-0.1 2,-0.2 0.487 88.7 84.5 -89.6 -9.3 -8.8 -3.3 0.5 104 148 A T S <> S- 0 0 15 -3,-1.8 4,-2.7 -4,-0.3 5,-0.2 -0.539 95.4-109.8 -85.5 157.0 -7.6 -4.6 -2.9 105 149 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 117.3 44.9 -54.0 -49.7 -6.9 -8.3 -3.5 106 150 A L H > S+ 0 0 13 -37,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.895 114.4 46.2 -71.1 -38.9 -3.2 -7.8 -3.6 107 151 A G H > S+ 0 0 0 -6,-0.6 4,-1.8 1,-0.2 -5,-0.2 0.904 113.7 51.3 -64.1 -40.7 -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 0.903 107.5 52.7 -60.6 -42.8 -5.1 -7.8 1.3 109 153 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.901 120.0 32.0 -60.7 -41.0 -2.9 -10.8 0.4 110 154 A A H >< S+ 0 0 0 -4,-1.6 3,-2.5 -5,-0.2 -1,-0.2 0.557 80.4 131.8 -99.5 -13.7 0.3 -9.2 1.6 111 155 A D T 3< S- 0 0 25 -4,-1.8 3,-0.1 1,-0.3 -3,-0.0 -0.163 87.2 -5.0 -47.9 125.7 -0.7 -7.0 4.5 112 156 A D T 3 S+ 0 0 117 1,-0.2 2,-0.3 -100,-0.0 -1,-0.3 0.548 106.2 125.9 68.1 8.0 1.5 -7.5 7.6 113 157 A L < - 0 0 13 -3,-2.5 2,-0.4 -101,-0.1 -1,-0.2 -0.694 44.2-159.5-100.4 152.0 3.4 -10.4 5.9 114 158 A T + 0 0 43 -2,-0.3 -102,-2.9 -104,-0.1 2,-0.3 -0.960 20.2 165.4-120.2 142.0 7.2 -10.8 5.3 115 159 A W + 0 0 0 -2,-0.4 26,-0.4 -104,-0.3 2,-0.3 -0.988 8.8 154.3-156.2 149.8 8.7 -13.2 2.7 116 160 A d - 0 0 0 -2,-0.3 9,-2.8 9,-0.2 -105,-0.2 -0.927 17.1-154.3-165.6 161.8 11.9 -14.1 0.8 117 161 A G - 0 0 0 -68,-0.4 2,-0.3 -2,-0.3 7,-0.2 -0.294 24.7-101.5-118.4-156.2 13.5 -17.1 -1.0 118 162 A E B > -F 121 0D 60 3,-0.5 3,-1.0 5,-0.5 -67,-0.2 -0.957 30.3-103.3-138.2 144.7 17.1 -18.1 -1.8 119 163 A F T 3 S+ 0 0 123 -2,-0.3 -67,-0.2 1,-0.2 -68,-0.1 -0.533 103.7 1.9 -66.7 134.1 19.3 -18.0 -4.8 120 164 A D T 3 S+ 0 0 131 -69,-0.9 2,-0.3 -2,-0.2 -1,-0.2 0.629 116.5 78.7 65.5 19.1 19.5 -21.5 -6.5 121 165 A T B < S-F 118 0D 40 -3,-1.0 -70,-0.7 2,-0.1 -3,-0.5 -0.958 75.0-133.2-140.1 157.3 17.2 -23.4 -4.1 122 166 A S + 0 0 88 -2,-0.3 2,-0.2 -72,-0.1 -72,-0.1 0.227 65.4 123.8 -93.0 18.3 13.4 -23.4 -4.2 123 167 A K - 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0 0 22 -5,-1.6 3,-0.3 -82,-0.1 -1,-0.2 -0.952 27.3-141.8-163.7 147.0 19.2 -4.1 0.3 137 181 A S S S+ 0 0 43 -2,-0.3 2,-1.2 1,-0.2 -5,-0.1 0.723 93.7 73.5 -82.5 -22.6 16.2 -2.1 -1.0 138 182 A N S S+ 0 0 44 -83,-0.3 -81,-2.3 4,-0.1 -1,-0.2 -0.300 70.1 133.5 -89.5 53.2 15.5 -4.6 -3.9 139 183 A N S > S- 0 0 8 -2,-1.2 4,-2.6 -3,-0.3 5,-0.3 -0.587 71.4-102.4 -99.0 160.5 14.1 -7.3 -1.6 140 184 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -24,-0.1 0.863 118.4 43.7 -55.6 -37.4 10.8 -9.2 -2.3 141 185 A V H > S+ 0 0 27 -26,-0.4 4,-2.3 2,-0.2 5,-0.2 0.963 115.9 43.9 -75.5 -49.0 8.7 -7.3 0.2 142 186 A S H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 115.4 49.7 -61.3 -39.7 9.9 -3.7 -0.6 143 187 A V H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.888 108.6 53.7 -70.0 -38.6 9.7 -4.4 -4.3 144 188 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.3 5,-0.3 0.948 111.4 44.0 -57.6 -51.3 6.2 -5.8 -4.0 145 189 A W H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.892 112.6 51.2 -70.1 -36.3 4.9 -2.7 -2.1 146 190 A K H X S+ 0 0 47 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.936 113.8 46.4 -61.4 -43.0 6.6 -0.3 -4.5 147 191 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.945 117.3 39.9 -67.4 -50.6 5.1 -2.1 -7.5 148 192 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.854 114.3 53.7 -69.5 -34.1 1.5 -2.3 -6.2 149 193 A S H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.877 107.2 52.1 -69.8 -39.9 1.5 1.2 -4.6 150 194 A R H X S+ 0 0 47 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.939 111.5 46.1 -55.7 -52.8 2.6 2.7 -7.9 151 195 A R H X S+ 0 0 116 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.916 112.1 51.5 -60.1 -39.6 -0.3 1.0 -9.7 152 196 A F H >< S+ 0 0 11 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.947 111.3 46.8 -63.5 -47.7 -2.8 2.0 -7.0 153 197 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 34,-0.4 0.898 108.2 56.6 -60.8 -36.6 -1.7 5.7 -7.2 154 198 A E H 3< S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.723 102.6 57.1 -66.4 -23.5 -1.9 5.6 -11.1 155 199 A A T << S+ 0 0 36 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.604 85.8 107.5 -84.5 -12.0 -5.6 4.4 -10.8 156 200 A A < + 0 0 0 -3,-1.4 31,-0.4 -4,-0.5 2,-0.3 -0.314 41.4 170.0 -73.2 151.3 -6.7 7.5 -8.8 157 201 A c + 0 0 9 -82,-2.4 -79,-0.3 2,-0.2 34,-0.3 -0.920 45.7 7.4-149.1 167.5 -8.9 10.3 -10.1 158 202 A D E S+ d 0 191C 82 32,-2.5 34,-2.0 -2,-0.3 35,-1.7 -0.340 121.5 2.3 64.6-123.3 -10.8 13.4 -8.9 159 203 A V E S- d 0 193C 46 -83,-0.3 2,-0.4 33,-0.2 -81,-0.3 -0.886 70.5-168.9-100.3 122.9 -10.2 14.0 -5.2 160 204 A V E - d 0 194C 0 33,-2.6 35,-3.0 -2,-0.6 2,-0.3 -0.877 9.9-149.6-110.0 136.3 -7.7 11.6 -3.6 161 205 A H E -cd 79 195C 28 -83,-2.2 -81,-3.5 -2,-0.4 2,-0.4 -0.857 10.8-169.0-108.9 151.4 -7.4 11.7 0.2 162 206 A V E -cd 80 196C 0 33,-2.4 35,-3.0 -2,-0.3 2,-0.5 -0.987 11.9-148.6-138.5 130.2 -4.4 10.9 2.4 163 207 A M E -cd 81 197C 0 -83,-2.1 -81,-2.1 -2,-0.4 2,-0.3 -0.858 20.8-169.1 -93.6 129.4 -4.2 10.4 6.2 164 208 A L E -cd 82 198C 0 33,-2.3 35,-2.9 -2,-0.5 2,-1.0 -0.863 27.4-113.2-120.9 149.6 -0.9 11.5 7.7 165 209 A D E > - d 0 199C 20 -83,-0.7 3,-1.5 6,-0.4 35,-0.1 -0.718 24.4-169.3 -86.6 101.2 0.4 10.9 11.2 166 210 A G T 3 S+ 0 0 8 33,-2.0 35,-0.2 -2,-1.0 -1,-0.1 0.454 80.4 64.8 -70.8 -2.1 0.5 14.3 13.0 167 211 A S T 3 S+ 0 0 81 32,-0.3 -1,-0.3 33,-0.1 2,-0.2 0.532 82.0 93.1 -99.4 -7.9 2.6 12.9 15.9 168 212 A R S < S- 0 0 120 -3,-1.5 3,-0.3 1,-0.1 4,-0.1 -0.509 83.7-122.2 -78.9 153.7 5.7 12.1 13.8 169 213 A S S S+ 0 0 124 1,-0.3 2,-0.4 -2,-0.2 3,-0.1 0.695 112.7 43.5 -70.6 -20.2 8.5 14.6 13.5 170 214 A K - 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