==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-97 1AZT . COMPND 2 MOLECULE: GS-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.J.G.TESMER,S.R.SPRANG . 675 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.0 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 . 2 0.3 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 . 44 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 4 2 1 1 4 2 1 3 2 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 35 A Q > 0 0 202 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -55.9 29.5 49.1 29.7 2 36 A V H > + 0 0 110 1,-0.2 4,-0.6 2,-0.2 3,-0.0 0.812 360.0 70.6 -60.3 -27.1 30.3 45.4 29.8 3 37 A Y H >4 S+ 0 0 118 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.922 100.3 39.1 -55.4 -56.3 27.1 45.2 31.8 4 38 A R H 34 S+ 0 0 163 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.745 109.9 61.7 -69.7 -24.7 24.7 46.0 28.9 5 39 A A H 3< S+ 0 0 64 -4,-1.1 2,-0.3 2,-0.1 158,-0.3 0.553 85.9 99.8 -79.5 -8.4 26.7 43.9 26.4 6 40 A T S << S- 0 0 6 -3,-0.9 2,-0.9 -4,-0.6 158,-0.2 -0.585 75.0-130.0 -84.3 137.3 26.2 40.7 28.5 7 41 A H E -a 164 0A 13 156,-2.2 158,-3.1 -2,-0.3 2,-0.8 -0.807 30.4-163.0 -84.1 106.8 23.5 38.1 27.6 8 42 A R E -a 165 0A 12 -2,-0.9 179,-2.0 177,-0.3 180,-1.2 -0.837 8.8-175.5-104.6 102.4 21.9 37.7 31.0 9 43 A L E -ab 166 188A 0 156,-2.2 158,-2.8 -2,-0.8 2,-0.6 -0.882 9.0-158.8-107.0 128.0 19.8 34.6 31.3 10 44 A L E -ab 167 189A 1 178,-1.9 180,-2.6 -2,-0.5 2,-0.4 -0.915 6.8-150.5-112.8 112.3 17.7 33.8 34.4 11 45 A L E + b 0 190A 0 156,-2.8 158,-0.5 -2,-0.6 2,-0.3 -0.689 25.5 168.1 -80.5 129.6 16.7 30.2 35.2 12 46 A L E + b 0 191A 0 178,-2.6 180,-2.8 -2,-0.4 2,-0.2 -0.885 13.0 108.9-135.5 171.4 13.4 29.9 37.1 13 47 A G - 0 0 0 -2,-0.3 180,-0.1 178,-0.2 3,-0.1 -0.627 63.2 -63.5 139.0 161.2 11.0 27.1 38.0 14 48 A A S > S- 0 0 15 178,-0.4 3,-0.9 -2,-0.2 5,-0.3 0.239 73.8 -60.0 -60.9-170.8 9.8 25.1 41.0 15 49 A G T 3 S+ 0 0 14 156,-0.4 -1,-0.2 1,-0.2 179,-0.1 -0.524 117.3 7.6 -80.4 144.9 12.1 22.8 43.0 16 50 A E T 3 S+ 0 0 37 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.656 89.1 127.1 64.0 20.1 13.8 19.8 41.5 17 51 A S S < S- 0 0 4 -3,-0.9 176,-0.2 175,-0.1 178,-0.1 0.834 86.3 -87.1 -80.0 -34.0 12.6 20.9 38.0 18 52 A G S > S+ 0 0 7 -4,-0.2 4,-1.2 174,-0.1 -3,-0.1 0.430 83.3 128.8 142.6 8.6 16.0 20.8 36.3 19 53 A K H > S+ 0 0 12 -5,-0.3 4,-1.5 1,-0.2 3,-0.1 0.839 79.8 36.1 -57.2 -53.4 17.7 24.2 36.9 20 54 A S H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.791 112.3 62.3 -75.6 -28.2 21.1 23.3 38.3 21 55 A T H > S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.794 103.4 50.2 -65.5 -28.2 21.2 20.4 35.9 22 56 A I H X S+ 0 0 3 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.907 109.3 50.1 -74.6 -44.1 21.0 22.9 33.1 23 57 A V H X S+ 0 0 3 -4,-1.5 4,-2.1 1,-0.2 3,-0.4 0.918 108.5 52.8 -59.2 -44.3 23.9 24.9 34.5 24 58 A K H X S+ 0 0 47 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.901 106.4 53.3 -58.6 -39.4 25.9 21.7 34.9 25 59 A Q H X S+ 0 0 0 -4,-1.3 4,-0.7 1,-0.2 -1,-0.3 0.816 107.5 53.0 -66.6 -28.7 25.3 21.0 31.2 26 60 A M H X S+ 0 0 1 -4,-1.4 4,-2.3 -3,-0.4 3,-0.3 0.901 108.3 47.7 -71.5 -42.6 26.6 24.5 30.4 27 61 A R H X S+ 0 0 110 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.895 109.2 54.1 -65.1 -40.5 29.9 24.1 32.3 28 62 A I H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 118.8 36.6 -62.8 -24.7 30.5 20.7 30.6 29 63 A L H < S+ 0 0 47 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.748 134.0 13.5-100.1 -32.0 30.0 22.4 27.2 30 64 A H H < 0 0 51 -4,-2.3 128,-0.6 -5,-0.1 -3,-0.2 0.320 360.0 360.0-134.4 6.3 31.6 25.9 27.5 31 65 A V < 0 0 120 -4,-1.8 126,-0.1 -5,-0.3 -4,-0.0 -0.751 360.0 360.0-130.9 360.0 33.7 26.0 30.7 32 ! 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 33 88 A K > 0 0 132 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.4 35.4 16.1 43.4 34 89 A A H > + 0 0 80 2,-0.2 4,-0.9 1,-0.2 5,-0.0 0.856 360.0 45.9 -71.8 -37.8 35.9 14.7 46.9 35 90 A T H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 109.5 57.7 -70.7 -32.8 33.0 16.8 48.1 36 91 A K H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.804 101.9 52.7 -67.8 -34.5 31.0 15.6 45.1 37 92 A V H X S+ 0 0 26 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.806 106.7 55.0 -71.5 -29.4 31.5 11.9 46.0 38 93 A Q H X S+ 0 0 86 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.954 108.6 47.4 -63.4 -47.0 30.1 12.9 49.4 39 94 A D H X S+ 0 0 34 -4,-1.9 4,-2.3 2,-0.2 107,-0.2 0.897 113.1 47.9 -63.0 -42.3 27.0 14.3 47.7 40 95 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.936 113.4 46.7 -63.8 -48.2 26.7 11.2 45.5 41 96 A K H X S+ 0 0 31 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.885 112.2 53.7 -57.1 -39.6 27.1 8.8 48.5 42 97 A N H X S+ 0 0 75 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.883 107.1 48.3 -63.7 -43.6 24.6 11.1 50.3 43 98 A N H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.885 110.6 53.8 -62.2 -39.0 22.0 10.8 47.5 44 99 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.887 110.9 44.9 -63.7 -40.0 22.5 7.0 47.7 45 100 A K H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.924 112.5 50.7 -70.3 -44.4 21.8 6.9 51.4 46 101 A E H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.845 106.8 56.8 -61.9 -36.5 18.8 9.2 51.1 47 102 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.962 112.0 38.5 -59.9 -55.5 17.3 7.0 48.4 48 103 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.908 114.1 53.5 -67.4 -43.0 17.3 3.8 50.4 49 104 A E H X S+ 0 0 25 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.930 110.0 50.3 -54.7 -48.8 16.3 5.3 53.7 50 105 A T H X S+ 0 0 31 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.903 112.1 45.0 -58.1 -47.0 13.3 6.9 52.0 51 106 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 3,-0.3 0.971 117.9 42.1 -64.6 -53.5 12.1 3.7 50.3 52 107 A V H X S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.891 114.2 52.7 -62.4 -38.7 12.5 1.4 53.4 53 108 A A H < S+ 0 0 22 -4,-2.8 3,-0.3 -5,-0.3 -1,-0.2 0.853 108.7 51.8 -62.5 -33.9 11.0 4.1 55.7 54 109 A A H >X S+ 0 0 10 -4,-1.6 3,-2.3 -3,-0.3 4,-1.3 0.747 87.4 80.0 -77.4 -27.9 8.0 4.4 53.5 55 110 A M H 3< S+ 0 0 12 -4,-1.3 7,-2.5 -3,-0.3 3,-0.3 0.857 99.0 40.7 -49.9 -44.7 7.0 0.7 53.3 56 111 A S T 3< S+ 0 0 83 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.266 113.7 55.7 -89.4 10.8 5.3 0.8 56.7 57 112 A N T <4 S+ 0 0 126 -3,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.556 85.2 91.9-117.4 -15.7 3.7 4.2 56.1 58 113 A L S < S- 0 0 15 -4,-1.3 49,-0.0 -3,-0.3 56,-0.0 -0.263 83.4 -96.5 -74.6 168.4 1.7 3.7 52.9 59 114 A V S S+ 0 0 123 1,-0.3 -3,-0.0 2,-0.1 3,-0.0 -0.920 120.0 20.6-134.4 106.7 -1.9 2.6 52.7 60 115 A P S S- 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.589 109.6-130.4 -71.1 160.6 -2.0 -0.3 52.2 61 116 A P - 0 0 63 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.308 13.2-124.8 -76.2 165.4 1.5 -0.9 53.5 62 117 A V - 0 0 19 -7,-2.5 2,-0.3 -8,-0.1 -4,-0.1 -0.960 22.6-159.4-115.6 129.4 4.1 -2.9 51.6 63 118 A E - 0 0 131 -2,-0.5 44,-0.0 1,-0.1 -7,-0.0 -0.727 31.4 -84.1-107.2 159.4 5.9 -5.8 53.2 64 119 A L - 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 6,-0.0 -0.257 21.1-141.0 -62.0 141.2 9.2 -7.5 52.3 65 120 A A S S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.756 100.7 41.2 -69.6 -26.2 9.2 -10.2 49.6 66 121 A N S > S- 0 0 78 1,-0.1 3,-2.6 0, 0.0 -1,-0.3 -0.906 71.3-158.8-128.8 105.0 11.7 -12.0 51.9 67 122 A P G > S+ 0 0 104 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.763 90.7 69.3 -49.2 -31.1 11.1 -11.9 55.7 68 123 A E G 3 S+ 0 0 155 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.529 85.1 69.4 -69.4 -8.3 14.8 -12.7 56.2 69 124 A N G X> + 0 0 15 -3,-2.6 3,-1.6 1,-0.2 4,-1.3 0.538 69.8 99.6 -83.0 -7.7 15.7 -9.1 54.9 70 125 A Q H <> S+ 0 0 89 -3,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.789 73.1 58.4 -54.9 -34.5 14.2 -7.6 58.0 71 126 A F H 3> S+ 0 0 108 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.838 103.5 54.6 -66.3 -27.6 17.5 -7.1 59.9 72 127 A R H <> S+ 0 0 59 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.877 106.5 49.5 -72.5 -39.0 18.7 -5.0 56.9 73 128 A V H X S+ 0 0 14 -4,-1.3 4,-2.8 1,-0.2 5,-0.3 0.962 110.0 54.0 -59.9 -47.7 15.6 -2.7 57.3 74 129 A D H X S+ 0 0 86 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.868 109.8 46.1 -55.6 -42.7 16.5 -2.5 60.9 75 130 A Y H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 3,-0.2 0.957 111.9 49.5 -64.1 -52.6 20.1 -1.4 60.2 76 131 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.921 113.0 47.2 -55.6 -46.3 19.1 1.2 57.6 77 132 A L H >< S+ 0 0 71 -4,-2.8 3,-0.9 1,-0.2 -1,-0.3 0.812 109.8 55.3 -66.0 -30.2 16.5 2.7 59.9 78 133 A S H 3< S+ 0 0 80 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.959 109.9 42.8 -67.5 -50.9 19.0 2.7 62.8 79 134 A V T >< S+ 0 0 20 -4,-2.3 3,-0.5 1,-0.1 -1,-0.2 0.182 89.6 121.4 -80.9 19.7 21.7 4.7 61.0 80 135 A M T < S+ 0 0 47 -3,-0.9 2,-1.4 1,-0.2 -2,-0.1 0.903 78.4 5.3 -51.3-105.0 19.0 7.1 59.6 81 136 A N T 3 S+ 0 0 153 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.611 91.3 136.2 -91.9 85.1 19.5 10.7 60.7 82 137 A V < - 0 0 69 -2,-1.4 3,-0.3 -3,-0.5 -3,-0.0 -0.638 58.8 -82.8-117.5 171.2 22.9 10.6 62.4 83 138 A P S S- 0 0 117 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.005 92.5 -23.9 -64.6-174.7 25.9 12.9 62.2 84 139 A D S S- 0 0 160 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.025 80.1-137.4 -38.9 92.6 28.5 12.6 59.4 85 140 A F - 0 0 36 -3,-0.3 -1,-0.1 -2,-0.2 -6,-0.0 -0.284 5.0-143.9 -63.4 134.9 27.9 8.9 58.5 86 141 A D - 0 0 147 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.484 23.9-135.7 -80.1 -6.8 31.1 6.8 57.8 87 142 A F - 0 0 20 1,-0.1 5,-0.1 4,-0.0 -2,-0.0 0.936 27.3-164.7 48.4 61.3 29.7 4.6 55.0 88 143 A P >> - 0 0 31 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.241 33.9-104.6 -68.7 164.3 31.0 1.2 56.2 89 144 A P H 3> S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.851 119.9 65.8 -58.0 -36.4 31.0 -1.8 53.8 90 145 A E H 3> S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.674 95.8 59.9 -60.3 -20.2 28.0 -3.3 55.7 91 146 A F H <> S+ 0 0 0 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.920 101.8 49.6 -72.6 -45.9 26.1 -0.2 54.4 92 147 A Y H X S+ 0 0 12 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.884 113.2 46.1 -66.5 -35.0 26.6 -1.0 50.7 93 148 A E H X S+ 0 0 108 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.857 110.4 50.7 -78.2 -35.2 25.5 -4.6 51.0 94 149 A H H X S+ 0 0 27 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.879 113.3 48.7 -65.4 -36.2 22.4 -4.0 53.1 95 150 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.892 113.3 45.9 -68.9 -43.1 21.4 -1.4 50.5 96 151 A K H X S+ 0 0 74 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.966 112.9 48.3 -66.1 -51.6 22.0 -3.7 47.6 97 152 A A H X S+ 0 0 16 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.842 112.8 49.5 -59.3 -36.9 20.2 -6.7 49.1 98 153 A L H >< S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.2 6,-0.4 0.926 106.0 55.9 -66.8 -44.0 17.2 -4.5 50.0 99 154 A W H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.771 105.6 52.7 -60.0 -28.9 17.1 -3.0 46.4 100 155 A E H 3< S+ 0 0 109 -4,-1.4 2,-0.3 -5,-0.1 -1,-0.3 0.650 85.1 105.5 -83.4 -17.0 16.8 -6.5 45.0 101 156 A D S S+ 0 0 140 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.700 103.1 52.3 -60.1 -22.0 10.6 -7.4 45.3 103 158 A G H > S+ 0 0 5 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.842 105.1 51.5 -83.7 -38.4 8.8 -5.6 48.2 104 159 A V H > S+ 0 0 0 -3,-0.4 4,-1.7 -6,-0.4 -2,-0.2 0.897 113.2 48.9 -61.6 -38.6 11.4 -2.7 48.4 105 160 A R H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 105.9 54.7 -66.4 -46.2 10.8 -2.4 44.6 106 161 A A H X S+ 0 0 42 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.806 108.4 50.3 -59.1 -30.2 7.1 -2.4 44.9 107 162 A C H < S+ 0 0 0 -4,-1.5 3,-0.5 2,-0.2 -1,-0.2 0.863 106.2 55.4 -73.6 -36.6 7.4 0.5 47.3 108 163 A Y H >< S+ 0 0 40 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.902 103.0 56.4 -59.5 -40.9 9.7 2.3 44.8 109 164 A E H 3< S+ 0 0 109 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.768 106.3 49.9 -63.9 -25.6 6.8 1.9 42.2 110 165 A R T >< S+ 0 0 54 -4,-0.7 3,-2.2 -3,-0.5 -1,-0.3 0.144 75.0 122.7 -98.2 22.7 4.5 3.8 44.6 111 166 A S G X > + 0 0 31 -3,-1.7 3,-0.9 1,-0.3 5,-0.6 0.515 57.0 72.7 -66.2 -9.6 7.0 6.6 45.1 112 167 A N G 3 5S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 89,-0.2 0.667 87.4 66.1 -77.1 -15.5 4.6 9.3 43.9 113 168 A E G < 5S+ 0 0 92 -3,-2.2 2,-0.3 87,-0.1 -1,-0.2 0.463 112.8 27.8 -81.1 -4.4 2.7 8.8 47.2 114 169 A Y T < 5S- 0 0 24 -3,-0.9 2,-1.2 -4,-0.1 87,-0.2 -0.888 97.2 -83.3-146.0 179.2 5.8 10.1 49.1 115 170 A Q T 5 + 0 0 27 -2,-0.3 2,-0.3 85,-0.1 -3,-0.1 -0.639 56.0 160.1 -93.9 82.1 8.8 12.5 48.7 116 171 A L < - 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0 0 65 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.335 18.5-124.1 -67.3 148.9 1.7 49.7 -19.8 404 117 B V - 0 0 24 -7,-2.6 2,-0.3 -8,-0.2 -4,-0.1 -0.769 22.0-150.2 -97.4 144.1 4.2 51.7 -17.7 405 118 B E - 0 0 136 -2,-0.3 43,-0.1 1,-0.1 44,-0.1 -0.822 26.9 -92.2-113.4 152.0 6.0 54.7 -19.1 406 119 B L - 0 0 29 -2,-0.3 -1,-0.1 1,-0.1 6,-0.1 -0.327 22.1-141.2 -60.5 139.0 9.4 56.2 -18.4 407 120 B A S S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.911 99.8 37.5 -65.7 -43.2 9.5 58.8 -15.6 408 121 B N S > S- 0 0 79 1,-0.1 3,-1.6 3,-0.0 -1,-0.3 -0.955 73.4-160.2-112.6 114.2 12.1 60.7 -17.7 409 122 B P G > S+ 0 0 94 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.785 88.5 71.9 -61.8 -28.8 11.4 60.5 -21.5 410 123 B E G > S+ 0 0 152 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.636 83.1 73.7 -62.7 -15.1 15.0 61.5 -22.3 411 124 B N G <> + 0 0 18 -3,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.214 67.7 99.9 -82.5 13.4 15.8 57.9 -21.1 412 125 B Q H <> S+ 0 0 93 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.924 73.2 55.3 -69.8 -43.6 14.3 56.5 -24.3 413 126 B F H <> S+ 0 0 118 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.767 106.5 56.2 -61.4 -25.0 17.6 55.9 -26.2 414 127 B R H > S+ 0 0 56 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.941 107.9 44.5 -67.4 -51.7 18.6 53.8 -23.1 415 128 B V H X S+ 0 0 12 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.882 110.7 56.8 -59.4 -40.1 15.6 51.6 -23.4 416 129 B D H X S+ 0 0 90 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.894 108.0 47.4 -59.1 -42.0 16.2 51.4 -27.2 417 130 B Y H X S+ 0 0 36 -4,-1.5 4,-1.0 -5,-0.2 3,-0.3 0.948 110.1 50.9 -64.0 -51.0 19.7 50.1 -26.5 418 131 B I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.917 113.0 45.7 -56.2 -43.7 18.7 47.4 -23.9 419 132 B L H >< S+ 0 0 69 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.797 106.9 59.5 -72.1 -26.7 16.0 46.0 -26.3 420 133 B S H 3< S+ 0 0 82 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.645 106.4 47.1 -75.9 -18.3 18.4 46.0 -29.2 421 134 B V T << S+ 0 0 17 -4,-1.0 3,-0.3 -3,-0.8 -1,-0.3 -0.133 78.8 116.4-113.5 36.8 20.9 43.7 -27.4 422 135 B M S < S+ 0 0 60 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.945 82.5 25.4 -69.1 -50.7 18.2 41.3 -26.3 423 136 B N S S+ 0 0 152 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.055 77.5 135.0-113.3 28.8 19.3 38.1 -28.2 424 137 B V > - 0 0 60 -3,-0.3 3,-0.5 1,-0.2 -3,-0.0 -0.680 39.9-158.1 -77.3 114.0 23.0 38.5 -28.8 425 138 B P T 3 S+ 0 0 119 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.889 85.5 38.3 -58.3 -49.2 24.7 35.2 -27.9 426 139 B D T 3 S- 0 0 140 2,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.624 80.2-176.5-107.4 70.8 28.2 36.4 -27.2 427 140 B F < - 0 0 35 -2,-0.7 -6,-0.0 -3,-0.5 0, 0.0 -0.583 15.9-159.2 -77.3 119.4 27.6 39.7 -25.5 428 141 B D - 0 0 147 -2,-0.5 -1,-0.1 1,-0.0 -2,-0.0 0.593 27.6-131.0 -71.9 -14.9 30.8 41.6 -24.7 429 142 B F - 0 0 19 1,-0.1 5,-0.1 -46,-0.0 -2,-0.0 0.987 28.0-158.6 57.8 63.7 29.4 43.8 -22.0 430 143 B P >> - 0 0 39 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.313 32.5-104.1 -68.1 158.3 30.7 47.1 -23.2 431 144 B P H 3> S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.840 120.8 67.8 -49.5 -32.9 31.0 50.0 -20.6 432 145 B E H 3> S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.786 92.9 57.6 -57.6 -36.5 27.8 51.4 -22.3 433 146 B F H <> S+ 0 0 0 -3,-2.0 4,-2.6 2,-0.2 5,-0.2 0.980 105.4 47.2 -59.7 -58.7 25.7 48.5 -21.0 434 147 B Y H X S+ 0 0 15 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.863 113.3 49.6 -55.3 -39.6 26.4 49.1 -17.3 435 148 B E H X S+ 0 0 111 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.872 111.0 46.6 -71.3 -39.0 25.7 52.8 -17.6 436 149 B H H X S+ 0 0 12 -4,-2.0 4,-2.1 -3,-0.2 5,-0.2 0.916 114.0 50.1 -65.6 -43.6 22.4 52.4 -19.4 437 150 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 111.4 48.3 -58.9 -46.7 21.3 49.8 -17.0 438 151 B K H X S+ 0 0 68 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.805 111.6 49.7 -66.9 -32.3 22.3 52.0 -14.0 439 152 B A H < S+ 0 0 21 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.839 112.8 45.4 -77.3 -33.3 20.4 55.0 -15.4 440 153 B L H >< S+ 0 0 0 -4,-2.1 3,-1.2 2,-0.2 6,-0.3 0.824 105.7 60.2 -75.0 -36.2 17.2 53.1 -16.1 441 154 B W H 3< S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.9 48.5 -61.7 -25.8 17.3 51.4 -12.7 442 155 B E T 3< S+ 0 0 101 -4,-0.7 2,-0.5 -5,-0.2 -1,-0.3 0.465 87.9 104.3 -92.5 -4.7 17.1 54.9 -11.2 443 156 B D S X> S- 0 0 6 -3,-1.2 4,-2.0 1,-0.1 3,-0.6 -0.704 72.1-139.3 -79.7 124.3 14.2 56.0 -13.4 444 157 B E H 3> S+ 0 0 119 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.782 100.1 56.2 -54.8 -30.9 11.0 56.0 -11.4 445 158 B G H 3> S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 105.9 47.8 -71.1 -41.4 9.1 54.4 -14.2 446 159 B V H <> S+ 0 0 0 -3,-0.6 4,-1.8 -6,-0.3 -2,-0.2 0.911 110.9 52.7 -64.8 -41.6 11.3 51.4 -14.5 447 160 B R H X S+ 0 0 106 -4,-2.0 4,-2.0 -7,-0.3 -2,-0.2 0.892 106.0 55.5 -58.6 -39.1 11.1 51.0 -10.7 448 161 B A H < S+ 0 0 39 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.875 107.2 47.4 -63.1 -40.0 7.3 51.1 -11.1 449 162 B C H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.791 107.2 58.5 -71.7 -28.3 7.3 48.2 -13.6 450 163 B Y H >< S+ 0 0 37 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.934 98.9 57.8 -63.4 -46.0 9.6 46.3 -11.3 451 164 B E T 3< S+ 0 0 108 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.679 104.7 53.5 -58.4 -18.1 7.0 46.5 -8.5 452 165 B R T X S+ 0 0 54 -3,-0.6 3,-1.8 -4,-0.4 -1,-0.3 0.043 70.2 121.7-105.9 25.8 4.6 44.7 -10.8 453 166 B S G X > + 0 0 32 -3,-2.0 3,-0.9 1,-0.3 5,-0.6 0.579 57.4 75.2 -69.0 -9.1 6.9 41.8 -11.6 454 167 B N G 3 5S+ 0 0 35 -3,-0.3 89,-0.3 1,-0.2 -1,-0.3 0.587 88.8 61.9 -76.4 -10.4 4.4 39.3 -10.3 455 168 B E G < 5S+ 0 0 90 -3,-1.8 -1,-0.2 87,-0.1 2,-0.2 0.569 116.8 21.5 -89.7 -13.7 2.5 39.8 -13.6 456 169 B Y T < 5S- 0 0 33 -3,-0.9 2,-0.8 -4,-0.2 87,-0.2 -0.642 100.1 -75.4-134.1-165.2 5.5 38.6 -15.6 457 170 B Q T 5 + 0 0 27 -2,-0.2 2,-0.4 -65,-0.1 -3,-0.1 -0.721 54.6 160.7-107.1 89.1 8.6 36.3 -15.1 458 171 B L < - 0 0 19 -2,-0.8 2,-0.1 -5,-0.6 -69,-0.1 -0.837 36.5-116.5-110.9 139.1 11.4 38.1 -13.1 459 172 B I > - 0 0 9 -2,-0.4 3,-1.7 -74,-0.1 -1,-0.0 -0.395 21.1-121.0 -74.7 149.4 14.3 36.4 -11.3 460 173 B D T 3 S+ 0 0 72 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.832 107.6 55.3 -53.6 -43.8 14.8 36.7 -7.5 461 174 B C T 3> S+ 0 0 2 25,-0.3 4,-2.3 1,-0.2 5,-0.4 0.382 75.3 109.2 -78.8 5.0 18.2 38.3 -7.6 462 175 B A H <> S+ 0 0 2 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.917 82.5 36.4 -47.7 -64.3 17.1 41.2 -9.8 463 176 B Q H > S+ 0 0 78 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.789 113.9 59.7 -63.1 -28.9 17.2 44.1 -7.2 464 177 B Y H 4 S+ 0 0 49 -4,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.959 113.7 33.9 -65.7 -52.6 20.3 42.6 -5.5 465 178 B F H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 7,-0.2 0.808 114.6 57.6 -74.3 -33.3 22.5 42.7 -8.6 466 179 B L H >< S+ 0 0 4 -4,-2.4 3,-1.1 -5,-0.4 -1,-0.2 0.852 100.9 59.4 -65.9 -30.4 21.0 45.9 -10.0 467 180 B D T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.641 112.6 37.6 -72.6 -14.3 21.9 47.7 -6.8 468 181 B K T <> + 0 0 46 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.3 -0.101 68.8 132.1-130.9 33.8 25.6 47.0 -7.3 469 182 B I H <> S+ 0 0 2 -3,-1.1 4,-1.3 1,-0.2 -1,-0.1 0.863 76.6 56.3 -51.2 -39.4 26.0 47.4 -11.0 470 183 B D H > S+ 0 0 60 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.920 107.2 45.9 -60.4 -49.2 29.0 49.5 -10.2 471 184 B V H >4 S+ 0 0 74 1,-0.2 3,-1.0 -3,-0.2 -2,-0.2 0.927 110.4 54.8 -58.8 -45.4 30.8 46.8 -8.2 472 185 B I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.760 101.0 58.9 -66.3 -26.4 30.0 44.2 -10.9 473 186 B K H 3< S+ 0 0 67 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.716 78.3 106.8 -79.7 -19.6 31.6 46.1 -13.7 474 187 B Q S X< S- 0 0 94 -3,-1.0 3,-1.1 -4,-0.7 -3,-0.0 -0.182 72.5-129.8 -60.1 150.4 35.2 46.4 -12.3 475 188 B D T 3 S+ 0 0 163 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.891 109.7 52.2 -66.8 -41.2 37.9 44.3 -13.9 476 189 B D T 3 S+ 0 0 129 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.012 80.1 142.9 -84.3 26.4 39.0 43.1 -10.5 477 190 B Y < + 0 0 11 -3,-1.1 -98,-0.1 -5,-0.1 -5,-0.1 -0.603 22.7 175.7 -74.3 119.8 35.5 42.0 -9.6 478 191 B V - 0 0 75 -2,-0.5 2,-0.2 -99,-0.0 -102,-0.1 -0.994 32.6-112.8-124.6 129.4 35.5 38.8 -7.6 479 192 B P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -100,-0.1 -0.412 23.7-141.4 -63.1 130.0 32.1 37.4 -6.2 480 193 B S > - 0 0 53 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.370 34.6 -98.0 -77.3 171.6 31.5 37.4 -2.5 481 194 B D H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.966 126.7 52.2 -55.3 -51.5 29.7 34.5 -0.9 482 195 B Q H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.890 106.3 53.9 -52.7 -44.2 26.4 36.4 -0.9 483 196 B D H > S+ 0 0 2 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.896 109.9 47.4 -56.5 -45.7 26.9 37.2 -4.6 484 197 B L H < S+ 0 0 25 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.765 112.2 51.1 -63.4 -32.7 27.3 33.4 -5.3 485 198 B L H < S+ 0 0 2 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.871 110.0 47.1 -76.7 -37.7 24.2 32.7 -3.2 486 199 B R H < S+ 0 0 73 -4,-2.6 -25,-0.3 -5,-0.2 -2,-0.2 0.690 91.7 106.8 -75.1 -19.9 22.0 35.2 -4.9 487 200 B C < - 0 0 16 -4,-1.0 2,-0.5 -5,-0.2 -105,-0.1 -0.303 61.2-144.9 -66.8 144.4 23.1 33.9 -8.3 488 201 B R + 0 0 59 -107,-0.2 2,-0.4 -131,-0.0 -1,-0.1 -0.948 25.4 162.8-120.4 119.8 20.6 31.9 -10.4 489 202 B V - 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