==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-07 2EG9 . COMPND 2 MOLECULE: ADP-RIBOSYL CYCLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.KUKIMOTO-NIINO,C.MISHIMA,M.WAKIYAMA,T.TERADA,M.SHIROUZU, . 424 6 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 2 0.5 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 . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 2 3 0 0 1 1 1 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 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 50 A L 0 0 115 0, 0.0 2,-0.5 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0-153.8 -1.4 21.3 28.4 2 51 A L - 0 0 62 109,-0.1 2,-0.3 1,-0.0 109,-0.1 -0.706 360.0-130.4 -82.3 124.4 -2.3 17.8 27.0 3 52 A V - 0 0 137 -2,-0.5 2,-0.2 107,-0.0 -1,-0.0 -0.596 31.3-178.2 -79.2 134.7 -0.8 15.2 29.2 4 53 A W - 0 0 58 -2,-0.3 108,-0.0 2,-0.1 -1,-0.0 -0.758 31.9-145.1-125.7 171.7 1.1 12.4 27.4 5 54 A T S S+ 0 0 134 -2,-0.2 -1,-0.1 107,-0.1 2,-0.1 0.632 74.1 83.8-109.9 -23.2 2.9 9.2 28.3 6 55 A G B S-A 112 0A 8 106,-1.0 106,-1.6 1,-0.2 108,-0.1 -0.316 91.4 -76.3 -81.8 165.2 5.7 9.4 25.7 7 56 A E - 0 0 131 104,-0.2 105,-0.6 1,-0.1 -1,-0.2 -0.064 52.4-110.1 -54.2 156.8 9.0 11.2 25.8 8 57 A P - 0 0 51 0, 0.0 101,-0.2 0, 0.0 2,-0.1 -0.272 46.9 -67.6 -85.7 174.2 9.1 15.0 25.2 9 58 A T S S- 0 0 2 99,-2.5 89,-0.3 1,-0.1 3,-0.1 -0.414 70.6 -87.7 -63.0 133.5 10.4 17.0 22.3 10 59 A T > - 0 0 28 87,-1.7 3,-1.5 1,-0.1 -1,-0.1 -0.176 48.8-106.7 -47.6 119.1 14.2 16.6 22.2 11 60 A K T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -3,-0.1 5,-0.1 -0.255 106.3 16.2 -50.9 126.3 15.7 19.4 24.3 12 61 A H T 3> S+ 0 0 33 -3,-0.1 4,-2.7 3,-0.1 3,-0.4 0.732 80.7 158.5 78.9 25.9 17.3 22.0 21.9 13 62 A F H <> + 0 0 0 -3,-1.5 4,-3.5 1,-0.2 5,-0.2 0.915 66.9 49.5 -43.7 -66.7 15.4 20.7 18.9 14 63 A S H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.837 114.9 45.8 -44.8 -43.9 15.6 23.8 16.7 15 64 A D H > S+ 0 0 36 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.950 114.0 46.2 -67.6 -50.9 19.3 24.1 17.2 16 65 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.887 115.5 51.4 -58.1 -36.6 20.0 20.5 16.6 17 66 A F H X S+ 0 0 1 -4,-3.5 4,-2.8 -5,-0.3 -2,-0.2 0.994 115.1 36.5 -63.0 -66.9 17.7 20.8 13.6 18 67 A L H X S+ 0 0 17 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.896 115.3 57.7 -55.5 -42.3 19.4 23.9 11.9 19 68 A G H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 0.934 111.1 40.9 -54.7 -50.4 22.8 22.6 13.0 20 69 A R H X S+ 0 0 22 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.897 113.9 53.5 -65.2 -41.9 22.3 19.3 11.2 21 70 A a H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.877 110.7 47.3 -61.7 -37.8 20.7 21.0 8.2 22 71 A L H X>S+ 0 0 12 -4,-2.8 4,-2.4 -5,-0.2 5,-0.5 0.948 110.3 50.2 -68.4 -49.9 23.7 23.4 7.9 23 72 A I H X>S+ 0 0 14 -4,-2.2 5,-2.5 -5,-0.2 4,-1.0 0.831 116.1 46.5 -57.8 -30.9 26.3 20.7 8.2 24 73 A Y H <>S+ 0 0 11 -4,-1.9 5,-3.9 3,-0.2 -2,-0.2 0.990 118.1 33.6 -75.4 -65.0 24.4 18.8 5.5 25 74 A T H <5S+ 0 0 2 -4,-2.4 7,-0.5 1,-0.2 8,-0.2 0.756 126.2 41.8 -64.8 -27.6 23.6 21.4 2.8 26 75 A Q H <5S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.814 132.3 2.2 -95.4 -32.8 26.9 23.3 3.3 27 76 A I T < + 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.646 68.8 74.2 -55.3 -20.4 27.6 21.2 -0.9 31 80 A E G 3 S+ 0 0 91 1,-0.3 3,-0.2 2,-0.1 -6,-0.1 0.579 95.9 53.1 -72.9 -5.9 25.4 21.0 -4.0 32 81 A M G X + 0 0 4 -3,-2.0 3,-2.5 -7,-0.5 -1,-0.3 0.207 69.3 117.0-111.0 12.2 22.5 21.9 -1.7 33 82 A R T < + 0 0 181 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.764 67.3 67.0 -50.7 -30.5 24.0 25.0 -0.2 34 83 A D T 3 S+ 0 0 145 -3,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.443 75.9 108.5 -74.1 0.7 21.2 27.1 -1.7 35 84 A Q S < S- 0 0 36 -3,-2.5 2,-0.9 -10,-0.1 -10,-0.1 -0.691 71.0-133.8 -82.4 126.2 18.7 25.4 0.6 36 85 A N > - 0 0 84 -2,-0.5 4,-2.6 1,-0.2 5,-0.1 -0.707 16.9-168.8 -85.3 105.5 17.4 27.7 3.3 37 86 A a H > S+ 0 0 8 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.795 86.3 54.3 -63.3 -31.4 17.5 25.8 6.5 38 87 A Q H > S+ 0 0 79 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.964 111.6 45.2 -65.8 -50.4 15.5 28.4 8.4 39 88 A E H > S+ 0 0 100 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 112.6 51.8 -58.0 -44.1 12.8 28.2 5.8 40 89 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.906 111.5 47.1 -60.7 -43.0 13.0 24.4 5.9 41 90 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 3,-0.3 0.932 113.5 46.8 -64.5 -48.8 12.6 24.4 9.7 42 91 A S H X S+ 0 0 63 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.956 110.7 51.6 -58.3 -51.4 9.7 26.8 9.8 43 92 A T H < S+ 0 0 40 -4,-2.9 4,-0.4 -5,-0.2 21,-0.3 0.762 112.6 50.2 -56.4 -25.4 7.9 24.9 7.0 44 93 A F H >X S+ 0 0 0 -4,-1.0 3,-2.0 -3,-0.3 4,-0.5 0.970 107.6 49.0 -76.5 -59.2 8.5 21.9 9.3 45 94 A K H >X S+ 0 0 58 -4,-2.9 4,-3.2 1,-0.3 3,-0.9 0.779 101.8 66.1 -51.4 -32.1 7.1 23.3 12.5 46 95 A G H 3< S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.810 89.2 66.8 -62.9 -28.7 4.0 24.4 10.6 47 96 A A H <4 S+ 0 0 2 -3,-2.0 10,-0.2 -4,-0.4 -1,-0.2 0.835 124.8 4.1 -62.0 -32.4 3.1 20.8 10.1 48 97 A F H X< S+ 0 0 1 -3,-0.9 3,-1.8 -4,-0.5 -2,-0.2 0.671 92.8 114.0-128.1 -27.3 2.4 20.2 13.8 49 98 A V T 3< S+ 0 0 26 -4,-3.2 56,-0.1 1,-0.3 3,-0.1 -0.220 90.0 13.6 -56.0 140.2 2.8 23.4 15.9 50 99 A S T 3 S+ 0 0 60 56,-0.6 2,-0.3 51,-0.4 -1,-0.3 0.596 112.6 106.9 69.1 15.1 -0.5 24.5 17.6 51 100 A K S < S- 0 0 67 -3,-1.8 -1,-0.3 52,-0.0 49,-0.2 -0.790 83.3 -91.9-121.4 163.8 -2.0 21.2 16.6 52 101 A N > - 0 0 55 -2,-0.3 3,-2.8 3,-0.2 49,-0.1 -0.629 33.0-135.9 -75.1 121.7 -3.0 18.0 18.5 53 102 A P T 3 S+ 0 0 0 0, 0.0 68,-0.2 0, 0.0 -1,-0.1 0.392 104.7 49.1 -59.7 3.9 0.0 15.6 18.4 54 103 A b T 3 S+ 0 0 28 65,-0.2 64,-0.4 1,-0.1 65,-0.2 0.256 101.4 63.3-125.0 6.8 -2.4 12.8 17.5 55 104 A D < + 0 0 110 -3,-2.8 2,-0.4 -7,-0.1 -3,-0.2 -0.278 68.2 134.6-126.9 46.4 -4.2 14.5 14.7 56 105 A I - 0 0 2 62,-2.6 2,-0.2 -3,-0.1 -8,-0.1 -0.822 36.4-157.4 -99.4 133.6 -1.4 15.1 12.1 57 106 A T > - 0 0 62 -2,-0.4 3,-0.9 -10,-0.2 4,-0.4 -0.596 31.9-110.8-106.4 168.9 -2.0 14.3 8.5 58 107 A R G > S+ 0 0 99 1,-0.2 3,-0.8 -2,-0.2 4,-0.4 0.753 117.0 64.0 -65.4 -24.8 0.3 13.5 5.5 59 108 A E G > S+ 0 0 119 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.753 85.5 71.4 -72.5 -24.6 -0.7 16.9 4.1 60 109 A D G < S+ 0 0 28 -3,-0.9 4,-0.2 1,-0.2 -1,-0.2 0.789 107.5 36.0 -62.5 -25.7 0.9 18.7 7.0 61 110 A Y G <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.468 90.3 96.7-105.2 -2.7 4.3 17.7 5.6 62 111 A A H <> S+ 0 0 19 -3,-0.6 4,-1.9 -4,-0.4 5,-0.2 0.932 84.3 50.3 -50.7 -52.2 3.4 18.1 1.9 63 112 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.904 107.7 54.2 -54.0 -43.4 4.8 21.6 1.8 64 113 A L H > S+ 0 0 1 -21,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.919 108.3 49.7 -55.1 -46.8 8.1 20.4 3.3 65 114 A V H < S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.826 113.1 46.5 -61.0 -35.6 8.3 17.8 0.6 66 115 A K H < S+ 0 0 134 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.838 110.0 55.0 -76.6 -35.1 7.7 20.5 -2.1 67 116 A L H < S+ 0 0 46 -4,-2.7 2,-0.4 -5,-0.2 -2,-0.2 0.917 94.3 73.4 -65.8 -48.5 10.2 22.9 -0.5 68 117 A V < - 0 0 13 -4,-2.1 2,-0.9 -5,-0.1 -1,-0.0 -0.593 61.7-160.5 -80.5 124.1 13.2 20.6 -0.5 69 118 A T - 0 0 100 -2,-0.4 2,-0.3 -37,-0.1 -3,-0.1 -0.862 23.6-155.6 -99.4 98.4 15.0 19.8 -3.8 70 119 A Q - 0 0 35 -2,-0.9 2,-0.5 1,-0.0 17,-0.1 -0.614 13.5-129.6 -87.1 136.9 16.9 16.6 -2.9 71 120 A T - 0 0 45 -2,-0.3 17,-0.1 -42,-0.1 -1,-0.0 -0.700 29.9-163.2 -80.2 122.5 20.0 15.4 -4.7 72 121 A I - 0 0 37 -2,-0.5 2,-0.3 15,-0.0 5,-0.0 -0.928 15.5-148.6-119.2 115.8 19.5 11.7 -5.6 73 122 A P - 0 0 25 0, 0.0 3,-0.4 0, 0.0 64,-0.3 -0.635 23.9-141.0 -74.7 132.2 22.2 9.3 -6.6 74 123 A c S > S+ 0 0 54 -2,-0.3 3,-1.5 1,-0.2 63,-0.6 0.977 86.2 28.2 -62.8 -85.1 20.6 6.9 -9.0 75 124 A D T 3 S+ 0 0 95 1,-0.2 -1,-0.2 63,-0.1 63,-0.1 0.361 111.3 74.5 -63.0 12.4 21.7 3.3 -8.6 76 125 A K T 3 + 0 0 143 -3,-0.4 -1,-0.2 61,-0.2 -2,-0.1 0.441 58.4 120.9-106.7 1.0 22.4 3.9 -4.9 77 126 A T < - 0 0 0 -3,-1.5 64,-2.3 62,-0.3 2,-0.4 -0.443 37.7-178.0 -67.1 135.5 18.9 4.1 -3.3 78 127 A L E -b 141 0B 38 4,-1.6 6,-0.4 62,-0.2 64,-0.2 -0.909 9.7-169.5-142.9 112.8 18.4 1.5 -0.6 79 128 A F E b 142 0B 2 62,-2.3 64,-1.2 -2,-0.4 65,-0.0 -0.108 360.0 360.0 -82.8-172.2 15.2 0.8 1.4 80 129 A W 0 0 169 62,-0.2 64,-0.2 61,-0.0 78,-0.1 -0.937 360.0 360.0-161.5 360.0 15.1 -1.5 4.4 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 147 A F 0 0 39 0, 0.0 -4,-1.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 86.8 22.0 6.0 -0.1 83 148 A T > - 0 0 35 -6,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.331 360.0 -97.3 -93.5 177.8 19.3 5.4 2.5 84 149 A L G > S+ 0 0 5 -6,-0.4 3,-1.7 1,-0.3 6,-0.4 0.866 125.2 58.8 -62.2 -37.5 16.5 7.5 3.7 85 150 A E G 3 S+ 0 0 43 1,-0.3 -1,-0.3 5,-0.2 9,-0.1 0.541 98.1 64.0 -69.9 -4.3 18.6 8.6 6.7 86 151 A D G < S+ 0 0 78 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.483 84.3 91.1 -96.7 -6.4 21.0 10.0 4.0 87 152 A T S <> S- 0 0 11 -3,-1.7 4,-2.7 -4,-0.2 5,-0.3 -0.459 93.2-104.1 -84.2 163.3 18.6 12.6 2.7 88 153 A L H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.940 120.9 39.5 -51.7 -55.4 18.6 16.1 4.0 89 154 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.926 116.2 50.5 -63.1 -46.4 15.4 15.6 6.0 90 155 A G H > S+ 0 0 0 -6,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.859 108.7 51.3 -61.0 -38.0 16.2 12.1 7.2 91 156 A Y H < S+ 0 0 68 -4,-2.7 -1,-0.2 -7,-0.2 -2,-0.2 0.762 114.2 47.8 -69.6 -25.4 19.7 13.1 8.4 92 157 A I H < S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.960 114.7 37.4 -80.0 -59.5 18.0 15.9 10.4 93 158 A A H >< S+ 0 0 0 -4,-2.5 3,-2.2 2,-0.1 -2,-0.2 0.463 82.9 135.6 -76.7 -0.2 15.1 14.2 12.2 94 159 A D T 3< S- 0 0 52 -4,-0.7 3,-0.1 1,-0.3 -3,-0.0 -0.281 85.0 -12.1 -54.6 122.2 17.1 11.0 12.8 95 160 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.3 -2,-0.1 2,-0.3 0.604 106.7 127.9 61.5 15.0 16.5 9.9 16.4 96 161 A L < - 0 0 6 -3,-2.2 2,-0.3 -86,-0.0 -1,-0.2 -0.695 45.5-149.9-101.0 154.0 14.9 13.2 17.4 97 162 A R + 0 0 38 -2,-0.3 -87,-1.7 -3,-0.1 2,-0.3 -0.888 23.8 153.5-120.5 154.5 11.5 13.7 19.0 98 163 A W + 0 0 0 -2,-0.3 23,-0.4 -89,-0.3 2,-0.3 -0.924 6.0 157.3-175.4 149.4 9.0 16.5 18.7 99 164 A d - 0 0 1 -2,-0.3 9,-1.7 9,-0.1 2,-0.1 -0.955 23.1-134.3-166.2 171.0 5.3 17.4 19.0 100 165 A G - 0 0 0 -2,-0.3 -51,-0.1 7,-0.3 7,-0.1 -0.353 10.4-131.8-119.0-158.0 3.1 20.3 19.5 101 166 A D > - 0 0 1 5,-0.4 3,-1.4 3,-0.3 -51,-0.4 -0.935 16.3-130.3-162.7 137.2 0.1 21.3 21.6 102 167 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.913 107.5 56.5 -55.5 -46.7 -3.2 23.0 20.8 103 168 A S T 3 S+ 0 0 88 -3,-0.1 2,-0.3 -52,-0.1 -52,-0.0 0.093 112.2 44.9 -78.0 26.6 -2.9 25.5 23.6 104 169 A T < - 0 0 52 -3,-1.4 -3,-0.3 -2,-0.1 -54,-0.1 -0.975 61.9-143.1-159.4 168.1 0.5 26.7 22.3 105 170 A S S S+ 0 0 96 -2,-0.3 2,-0.2 -56,-0.1 -56,-0.1 -0.081 85.2 71.9-124.8 26.3 2.4 27.8 19.3 106 171 A D S S- 0 0 79 -5,-0.2 -56,-0.6 0, 0.0 -5,-0.4 -0.573 91.6 -84.3-125.7-171.3 5.6 26.1 20.5 107 172 A M - 0 0 14 -2,-0.2 2,-0.7 -7,-0.1 -7,-0.3 -0.820 41.9-107.9-104.8 144.0 6.8 22.5 20.9 108 173 A N + 0 0 3 -9,-1.7 -99,-2.5 -2,-0.4 -9,-0.1 -0.583 37.9 170.2 -74.4 109.9 6.0 20.4 23.9 109 174 A Y S S+ 0 0 96 -2,-0.7 -1,-0.2 -101,-0.2 3,-0.1 0.472 73.3 62.6 -95.7 -4.7 9.1 19.9 26.0 110 175 A V S S- 0 0 108 1,-0.3 2,-0.3 -103,-0.1 -1,-0.1 0.936 118.9 -30.1 -84.3 -53.5 7.2 18.3 28.8 111 176 A S - 0 0 17 -104,-0.1 -1,-0.3 -109,-0.1 -104,-0.2 -0.980 51.1-157.3-164.6 154.6 5.8 15.2 27.1 112 177 A d B -A 6 0A 1 -106,-1.6 -106,-1.0 -105,-0.6 -107,-0.1 -0.884 34.9 -86.7-132.4 163.3 4.7 13.8 23.7 113 178 A P 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -109,-0.1 0.013 360.0 360.0 -61.3 173.9 2.5 11.0 22.5 114 179 A H 0 0 176 -108,-0.1 -109,-0.0 2,-0.0 -108,-0.0 -0.992 360.0 360.0-136.8 360.0 3.7 7.4 22.0 115 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 116 184 A b 0 0 73 0, 0.0 3,-0.2 0, 0.0 -61,-0.1 0.000 360.0 360.0 360.0 67.4 -2.6 7.8 18.3 117 185 A P + 0 0 88 0, 0.0 2,-0.5 0, 0.0 -62,-0.1 0.495 360.0 73.2 -92.4 -7.2 -0.9 6.6 15.1 118 186 A N + 0 0 73 -64,-0.4 -62,-2.6 4,-0.1 3,-0.0 -0.497 69.5 138.5-107.3 62.2 -1.1 10.1 13.5 119 187 A N > - 0 0 12 -2,-0.5 4,-2.4 -3,-0.2 5,-0.3 -0.586 67.7 -99.7-103.1 165.6 1.6 11.9 15.5 120 188 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -21,-0.1 0.889 119.2 43.1 -47.3 -49.5 4.3 14.3 14.4 121 189 A I H > S+ 0 0 26 -23,-0.4 4,-1.8 2,-0.2 5,-0.2 0.973 115.3 43.3 -66.5 -59.7 7.0 11.7 14.4 122 190 A T H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 115.8 49.6 -54.4 -45.6 5.3 8.8 12.7 123 191 A M H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.861 106.6 55.8 -64.8 -36.9 3.7 11.0 10.0 124 192 A F H X S+ 0 0 2 -4,-1.5 4,-2.2 -5,-0.3 5,-0.2 0.938 109.2 44.8 -60.9 -50.7 7.0 12.7 9.1 125 193 A W H X S+ 0 0 54 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.863 110.4 54.6 -64.2 -38.1 8.9 9.5 8.3 126 194 A K H X S+ 0 0 64 -4,-1.7 4,-2.2 -5,-0.2 3,-0.4 0.952 111.1 45.4 -59.7 -50.7 6.0 8.1 6.3 127 195 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.900 113.2 47.0 -60.6 -47.3 5.8 11.1 4.1 128 196 A I H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.664 110.8 55.8 -71.7 -14.9 9.6 11.5 3.5 129 197 A S H X S+ 0 0 10 -4,-1.0 4,-2.1 -3,-0.4 -2,-0.2 0.915 106.9 47.9 -79.4 -47.0 9.7 7.8 2.8 130 198 A Q H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 114.5 46.3 -57.0 -51.1 7.1 8.0 0.0 131 199 A K H X S+ 0 0 68 -4,-2.3 4,-1.9 1,-0.2 5,-0.3 0.982 108.9 54.9 -53.3 -61.1 8.9 11.0 -1.5 132 200 A F H X S+ 0 0 6 -4,-1.8 4,-0.6 1,-0.3 -1,-0.2 0.819 109.4 49.1 -40.0 -43.1 12.3 9.1 -1.2 133 201 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 34,-0.5 0.959 108.8 51.2 -64.3 -52.0 10.7 6.3 -3.2 134 202 A E H 3< S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.740 109.9 51.8 -57.8 -25.6 9.3 8.6 -5.9 135 203 A D H 3< S+ 0 0 34 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.591 82.2 119.1 -88.9 -12.4 12.8 10.1 -6.2 136 204 A A << - 0 0 0 -3,-1.6 2,-0.4 -4,-0.6 31,-0.3 -0.180 46.3-163.8 -54.2 146.3 14.5 6.8 -6.7 137 205 A c - 0 0 28 -63,-0.6 2,-0.8 -64,-0.3 34,-0.3 -0.966 46.1 -20.8-143.1 124.2 16.3 6.4 -10.1 138 206 A G E S+ c 0 171B 15 32,-2.3 35,-1.5 -2,-0.4 34,-1.5 -0.760 120.1 13.8 92.1-112.2 17.6 3.3 -11.9 139 207 A V E S- c 0 173B 38 -2,-0.8 2,-0.3 32,-0.2 -62,-0.3 -0.918 70.8-164.4-108.6 114.1 18.2 0.2 -9.8 140 208 A V E - c 0 174B 0 33,-2.3 35,-2.5 -2,-0.6 2,-0.2 -0.761 4.0-156.5 -98.8 143.5 16.6 0.4 -6.3 141 209 A Q E -bc 78 175B 23 -64,-2.3 -62,-2.3 -2,-0.3 2,-0.3 -0.604 8.1-169.5-111.0 173.6 17.6 -1.9 -3.5 142 210 A V E -bc 79 176B 0 33,-1.2 35,-4.0 -64,-0.2 2,-0.5 -0.851 16.2-139.5-165.7 125.7 15.9 -3.1 -0.3 143 211 A M E - c 0 177B 85 -64,-1.2 2,-0.4 -2,-0.3 35,-0.2 -0.796 21.7-167.2 -93.2 125.6 17.2 -5.0 2.7 144 212 A L E - c 0 178B 9 33,-4.7 35,-3.0 -2,-0.5 2,-0.8 -0.933 26.8-113.3-117.7 139.5 14.9 -7.7 4.1 145 213 A D E - c 0 179B 75 -2,-0.4 3,-0.4 6,-0.4 35,-0.1 -0.546 21.1-164.6 -71.1 106.0 15.2 -9.6 7.4 146 214 A G S S+ 0 0 7 33,-2.5 -1,-0.2 -2,-0.8 34,-0.2 0.568 83.7 67.8 -69.1 -7.1 16.0 -13.2 6.5 147 215 A S S S+ 0 0 73 32,-0.2 -1,-0.2 39,-0.1 33,-0.1 0.940 82.9 84.4 -75.3 -51.4 15.1 -14.2 10.1 148 216 A L S S- 0 0 72 -3,-0.4 4,-0.1 1,-0.1 -4,-0.0 0.054 80.7-127.6 -48.5 159.4 11.3 -13.3 9.8 149 217 A R S S+ 0 0 242 1,-0.3 45,-0.1 2,-0.1 3,-0.1 0.965 108.1 28.4 -73.4 -57.6 8.9 -15.9 8.4 150 218 A E S S- 0 0 89 1,-0.2 -1,-0.3 44,-0.1 -5,-0.1 -0.789 74.6-176.5-107.0 83.3 7.4 -13.4 5.9 151 219 A P S S+ 0 0 8 0, 0.0 2,-0.5 0, 0.0 -6,-0.4 0.827 74.1 51.9 -50.0 -37.5 10.4 -11.1 5.2 152 220 A F + 0 0 3 -3,-0.1 2,-0.4 -8,-0.1 45,-0.1 -0.907 68.0 168.3-106.9 129.3 8.2 -9.0 3.0 153 221 A Y > - 0 0 95 -2,-0.5 3,-2.1 1,-0.1 6,-0.6 -0.941 34.9-143.5-145.5 120.5 4.9 -7.8 4.3 154 222 A K T 3 S+ 0 0 86 -2,-0.4 6,-0.2 1,-0.3 -1,-0.1 0.823 96.4 76.2 -45.5 -39.1 2.6 -5.1 2.7 155 223 A D T 3 S+ 0 0 149 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 0.462 83.3 87.3 -57.1 0.3 1.7 -3.9 6.2 156 224 A S S <> S- 0 0 35 -3,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.579 98.5-108.3 -96.8 164.2 5.1 -2.2 6.2 157 225 A T H >>S+ 0 0 48 -2,-0.2 5,-2.7 1,-0.2 4,-1.1 0.759 119.5 58.9 -61.9 -21.2 5.8 1.2 4.8 158 226 A F H 4>S+ 0 0 7 -5,-0.2 5,-3.8 4,-0.2 6,-0.3 0.970 113.0 29.4 -72.9 -58.7 7.6 -0.7 2.0 159 227 A G H 45S+ 0 0 1 -6,-0.6 -5,-0.2 3,-0.2 -2,-0.2 0.633 120.9 57.5 -78.9 -13.5 4.8 -2.9 0.6 160 228 A S H <5S- 0 0 64 -4,-1.9 -3,-0.2 -7,-0.2 -2,-0.2 0.978 134.6 -23.5 -78.1 -69.0 2.2 -0.3 1.5 161 229 A V T X5S+ 0 0 23 -4,-1.1 4,-1.1 -5,-0.2 3,-0.4 0.733 126.4 66.3-116.4 -37.3 3.2 2.8 -0.3 162 230 A E H >> - 0 0 46 -34,-0.5 4,-3.4 -2,-0.3 3,-0.5 -0.728 12.2-159.3 -85.9 119.1 8.5 5.3 -10.7 168 236 A P T 4 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -30,-0.1 0.818 90.1 62.8 -65.3 -29.3 9.0 2.7 -13.5 169 237 A N T 4 S+ 0 0 130 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.868 119.6 24.0 -64.1 -35.9 10.1 5.4 -15.9 170 238 A K T 4 S+ 0 0 114 -3,-0.5 -32,-2.3 1,-0.2 2,-0.6 0.828 124.5 52.8 -96.2 -41.2 13.1 6.2 -13.7 171 239 A V E < +c 138 0B 0 -4,-3.4 -1,-0.2 -34,-0.3 -32,-0.2 -0.878 55.5 171.0-101.4 116.8 13.5 3.0 -11.8 172 240 A H E + 0 0 119 -34,-1.5 36,-1.9 -2,-0.6 2,-0.3 0.497 64.1 36.2-102.9 -5.6 13.8 -0.1 -14.1 173 241 A K E -cd 139 208B 55 -35,-1.5 -33,-2.3 34,-0.2 2,-0.5 -0.969 56.0-158.2-153.6 134.5 14.7 -2.7 -11.5 174 242 A L E -cd 140 209B 0 34,-2.8 36,-2.0 -2,-0.3 2,-0.5 -0.932 13.5-164.7-110.0 134.2 14.0 -3.6 -7.9 175 243 A Q E -cd 141 210B 36 -35,-2.5 -33,-1.2 -2,-0.5 2,-0.5 -0.921 4.0-156.9-124.8 107.2 16.6 -5.7 -6.0 176 244 A A E -cd 142 211B 0 34,-2.7 36,-1.6 -2,-0.5 2,-0.7 -0.692 2.1-157.7 -87.2 127.4 15.6 -7.4 -2.7 177 245 A W E -cd 143 212B 71 -35,-4.0 -33,-4.7 -2,-0.5 2,-1.0 -0.893 2.3-161.2-106.2 107.8 18.3 -8.4 -0.3 178 246 A V E -cd 144 213B 0 34,-2.8 36,-1.3 -2,-0.7 -33,-0.2 -0.755 15.8-152.0 -90.9 97.7 17.3 -11.1 2.1 179 247 A M E -cd 145 214B 64 -35,-3.0 -33,-2.5 -2,-1.0 2,-0.3 -0.457 16.3-176.7 -74.1 137.8 19.8 -10.9 5.0 180 248 A H - 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