==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-NOV-10 3AQI . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.N.LANZILOTTA,A.E.MEDLOCK,T.A.DAILEY,H.A.DAILEY . 718 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 5.3 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 2 1 3 0 0 2 6 0 0 0 0 5 0 3 0 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 4 4 2 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 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 0 4 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 65 A R 0 0 268 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.7 -17.9 19.6 49.8 2 66 A K - 0 0 137 1,-0.1 115,-0.0 2,-0.0 114,-0.0 -0.622 360.0-102.9 -70.3 130.7 -18.0 21.8 46.6 3 67 A P - 0 0 26 0, 0.0 90,-0.2 0, 0.0 3,-0.1 -0.305 37.3-178.8 -60.3 137.5 -14.4 22.2 45.1 4 68 A K + 0 0 68 88,-2.4 115,-1.9 1,-0.3 116,-1.9 0.799 67.2 35.6-100.5 -36.7 -12.8 25.5 45.8 5 69 A T E -ab 93 120A 0 87,-1.9 89,-2.0 85,-0.4 2,-0.4 -0.966 65.3-160.4-134.1 121.3 -9.4 25.2 44.0 6 70 A G E -ab 94 121A 0 114,-2.7 116,-2.7 -2,-0.5 2,-0.6 -0.839 4.2-157.6-106.8 133.8 -8.9 23.4 40.6 7 71 A I E -ab 95 122A 0 87,-2.5 89,-2.6 -2,-0.4 2,-0.8 -0.959 10.6-155.6-112.1 110.8 -5.4 22.3 39.5 8 72 A L E -ab 96 123A 0 114,-3.4 116,-3.2 -2,-0.6 2,-0.8 -0.830 5.8-152.7 -95.1 110.5 -5.4 22.0 35.8 9 73 A M E -ab 97 124A 1 87,-3.2 89,-2.5 -2,-0.8 2,-0.4 -0.789 15.1-158.7 -87.9 115.4 -2.6 19.5 34.9 10 74 A L E +ab 98 125A 0 114,-2.0 116,-2.8 -2,-0.8 2,-0.3 -0.777 26.2 142.0-102.3 136.2 -1.4 20.4 31.3 11 75 A N E -a 99 0A 3 87,-1.5 89,-1.6 -2,-0.4 90,-0.1 -0.960 57.1-110.7-158.1 164.4 0.4 18.0 29.0 12 76 A M - 0 0 53 -2,-0.3 89,-2.2 87,-0.2 90,-0.4 0.918 56.3-149.2 -68.6 -34.6 0.4 17.3 25.2 13 77 A G - 0 0 10 86,-0.2 -1,-0.1 87,-0.2 92,-0.0 -0.196 4.9-123.9 86.8 171.4 -1.2 14.0 25.8 14 78 A G - 0 0 7 52,-0.1 55,-0.2 -2,-0.1 2,-0.1 -0.980 36.1 -85.4-150.1 155.6 -0.9 10.8 23.8 15 79 A P - 0 0 0 0, 0.0 51,-3.1 0, 0.0 53,-0.1 -0.380 30.4-152.2 -69.8 129.2 -3.6 8.6 22.1 16 80 A E S S+ 0 0 105 49,-0.2 2,-0.3 -2,-0.1 86,-0.0 0.842 78.1 16.0 -72.6 -32.0 -5.0 6.1 24.7 17 81 A T S > S- 0 0 61 48,-0.1 3,-1.5 1,-0.1 4,-0.5 -0.878 87.1-101.8-132.5 168.7 -5.9 3.5 22.0 18 82 A L G > S+ 0 0 54 46,-0.6 3,-1.3 -2,-0.3 4,-0.4 0.870 119.7 63.4 -63.2 -29.3 -5.0 2.9 18.4 19 83 A G G 3 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.719 97.7 56.6 -66.3 -23.6 -8.3 4.4 17.4 20 84 A D G <> S+ 0 0 61 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.538 83.1 87.0 -81.9 -5.9 -7.3 7.8 18.9 21 85 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.5 5,-0.2 0.916 83.5 52.4 -62.6 -49.5 -4.1 8.2 16.8 22 86 A H H > S+ 0 0 59 -4,-0.4 4,-2.7 -3,-0.2 -1,-0.2 0.943 112.5 43.5 -59.8 -43.3 -5.6 9.9 13.7 23 87 A D H > S+ 0 0 79 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.822 110.0 57.2 -73.5 -36.4 -7.4 12.7 15.7 24 88 A F H X S+ 0 0 12 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.953 111.9 42.8 -47.8 -56.4 -4.4 13.2 17.9 25 89 A L H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.893 112.0 54.0 -61.9 -43.3 -2.3 13.9 14.7 26 90 A L H X S+ 0 0 38 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.950 109.3 46.3 -61.3 -45.8 -5.1 16.0 13.2 27 91 A R H < S+ 0 0 61 -4,-2.6 4,-0.5 74,-0.3 -1,-0.2 0.911 113.4 51.7 -63.5 -35.2 -5.4 18.4 16.2 28 92 A L H >< S+ 0 0 23 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.917 110.3 46.4 -61.7 -51.2 -1.6 18.7 16.3 29 93 A F H 3< S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 107.9 57.3 -70.4 -20.7 -1.3 19.6 12.6 30 94 A L T 3< S+ 0 0 63 -4,-1.8 2,-0.9 -5,-0.2 -1,-0.3 0.583 85.5 102.2 -78.3 -9.9 -4.1 22.1 12.9 31 95 A D X> - 0 0 26 -3,-1.3 4,-1.6 -4,-0.5 3,-1.5 -0.592 52.6-167.9 -88.6 105.7 -2.1 24.0 15.6 32 96 A R T 34 S+ 0 0 121 -2,-0.9 -1,-0.1 1,-0.3 -4,-0.0 0.644 81.9 72.5 -65.2 -12.1 -0.3 27.2 14.5 33 97 A D T 34 S+ 0 0 17 1,-0.2 -1,-0.3 104,-0.1 3,-0.1 0.735 111.7 32.6 -71.0 -18.6 1.7 27.5 17.7 34 98 A L T <4 S- 0 0 56 -3,-1.5 2,-0.3 1,-0.4 -2,-0.2 0.746 130.2 -1.9-102.2 -35.8 3.7 24.5 16.3 35 99 A M < - 0 0 50 -4,-1.6 2,-0.5 -7,-0.1 -1,-0.4 -0.968 44.6-147.1-161.7 146.6 3.6 24.9 12.7 36 100 A T - 0 0 117 -2,-0.3 -6,-0.1 -3,-0.1 -4,-0.0 -0.984 28.6-174.9-114.4 123.3 2.4 26.9 9.8 37 101 A L > - 0 0 37 -2,-0.5 3,-0.8 -8,-0.1 4,-0.1 -0.908 32.6-102.6-112.3 151.9 1.7 24.7 6.8 38 102 A P T 3 S+ 0 0 100 0, 0.0 5,-0.3 0, 0.0 4,-0.1 -0.432 108.7 1.4 -63.0 147.7 0.7 25.8 3.3 39 103 A I T >> S- 0 0 116 1,-0.1 4,-2.6 3,-0.1 3,-1.7 0.848 86.8-178.9 38.1 58.1 -3.1 25.2 2.7 40 104 A Q H <> + 0 0 8 -3,-0.8 4,-2.4 1,-0.3 -1,-0.1 0.804 69.2 59.2 -68.0 -34.5 -3.2 24.0 6.3 41 105 A N H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.762 116.7 36.7 -63.0 -21.3 -6.9 23.1 6.5 42 106 A K H <> S+ 0 0 152 -3,-1.7 4,-1.2 2,-0.1 -2,-0.2 0.863 120.3 43.5 -93.0 -49.0 -6.3 20.6 3.7 43 107 A L H X S+ 0 0 52 -4,-2.6 4,-3.7 -5,-0.3 5,-0.3 0.815 103.5 64.9 -73.9 -34.4 -2.8 19.3 4.5 44 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.953 108.0 39.7 -51.8 -57.0 -3.4 18.8 8.3 45 109 A P H > S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.873 117.9 51.7 -64.3 -34.3 -6.1 16.1 7.8 46 110 A F H X S+ 0 0 105 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.967 111.1 43.3 -68.4 -47.8 -4.0 14.6 4.9 47 111 A I H X S+ 0 0 45 -4,-3.7 4,-2.6 1,-0.2 5,-0.2 0.898 113.0 55.3 -65.5 -35.3 -0.7 14.4 6.8 48 112 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.956 112.3 42.5 -58.5 -48.9 -2.7 13.0 9.9 49 113 A K H < S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.8 53.2 -67.5 -39.5 -4.1 10.3 7.7 50 114 A R H < S+ 0 0 178 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.852 115.9 38.9 -59.4 -38.7 -0.8 9.6 6.0 51 115 A L H X S+ 0 0 47 -4,-2.6 4,-2.3 -5,-0.2 3,-0.3 0.649 92.0 90.2 -90.2 -12.3 1.0 9.2 9.4 52 116 A T H X S+ 0 0 13 -4,-1.7 4,-3.6 1,-0.2 5,-0.3 0.893 85.5 49.1 -55.1 -52.9 -1.7 7.3 11.2 53 117 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.915 113.3 45.7 -57.1 -41.4 -0.6 3.8 10.2 54 118 A K H > S+ 0 0 139 -4,-0.3 4,-1.9 -3,-0.3 -2,-0.2 0.893 117.2 44.9 -64.7 -42.5 3.1 4.3 11.2 55 119 A I H X S+ 0 0 28 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.907 110.9 52.6 -76.2 -41.4 2.2 6.0 14.5 56 120 A Q H X S+ 0 0 59 -4,-3.6 4,-2.5 -5,-0.3 -1,-0.2 0.922 107.9 54.0 -56.7 -39.7 -0.5 3.3 15.3 57 121 A E H X S+ 0 0 82 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.923 105.8 51.6 -64.2 -41.1 2.2 0.7 14.7 58 122 A Q H X S+ 0 0 49 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.935 112.8 45.9 -56.3 -45.6 4.6 2.4 17.2 59 123 A Y H ><>S+ 0 0 10 -4,-2.2 5,-2.9 1,-0.2 6,-0.8 0.883 108.3 55.2 -66.6 -33.0 1.8 2.4 19.8 60 124 A R H ><5S+ 0 0 132 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.915 101.9 59.5 -67.0 -36.3 0.9 -1.3 19.0 61 125 A R H 3<5S+ 0 0 105 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.752 107.4 46.1 -62.6 -21.6 4.6 -2.0 19.8 62 126 A I T <<5S- 0 0 32 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.118 136.9 -77.5-106.4 19.8 4.1 -0.7 23.3 63 127 A G T < 5S- 0 0 78 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.474 83.4 -56.4 101.6 3.3 0.9 -2.5 24.1 64 128 A G S + 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.278 65.5 109.8 -89.8 6.5 -0.3 5.4 29.5 68 132 A I H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 74.8 52.0 -50.5 -42.4 -0.1 9.1 30.1 69 133 A K H > S+ 0 0 79 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.916 110.3 49.8 -65.4 -42.4 -3.7 9.5 31.2 70 134 A I H > S+ 0 0 115 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 114.8 42.4 -57.4 -52.2 -3.3 6.7 33.7 71 135 A W H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.892 114.0 51.6 -60.2 -44.2 -0.2 8.2 35.2 72 136 A T H X S+ 0 0 2 -4,-2.9 4,-3.2 -5,-0.2 -1,-0.2 0.901 111.2 48.8 -60.7 -43.6 -1.5 11.7 35.2 73 137 A S H X S+ 0 0 24 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.918 111.3 48.3 -63.8 -46.5 -4.7 10.6 37.0 74 138 A K H X S+ 0 0 110 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.905 115.3 45.3 -61.5 -42.5 -2.7 8.7 39.7 75 139 A Q H X S+ 0 0 4 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.937 112.4 51.6 -64.8 -42.9 -0.5 11.7 40.2 76 140 A G H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.924 110.4 48.5 -56.8 -48.0 -3.5 14.1 40.2 77 141 A E H X S+ 0 0 124 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.933 113.6 45.8 -62.5 -45.0 -5.2 11.9 42.9 78 142 A G H X S+ 0 0 11 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.911 112.9 52.2 -66.1 -38.5 -2.1 11.7 45.2 79 143 A M H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.931 109.3 47.2 -59.4 -47.5 -1.5 15.5 44.7 80 144 A V H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 13,-0.3 0.876 108.4 55.7 -69.3 -38.8 -5.1 16.5 45.7 81 145 A K H X S+ 0 0 102 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.939 113.0 42.2 -62.8 -42.6 -5.1 14.2 48.8 82 146 A L H >X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.887 111.3 55.3 -65.2 -43.9 -1.9 16.0 50.0 83 147 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 7,-0.2 0.854 101.5 57.4 -59.8 -42.1 -3.2 19.5 49.1 84 148 A D H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 114.2 40.1 -58.7 -31.5 -6.4 19.1 51.2 85 149 A E H << S+ 0 0 164 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.837 119.3 43.9 -85.2 -37.5 -4.2 18.4 54.2 86 150 A L H < S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.841 125.9 30.1 -71.8 -35.7 -1.5 21.1 53.5 87 151 A S >X + 0 0 11 -4,-2.6 3,-2.1 -5,-0.2 4,-0.6 -0.521 60.3 163.0-130.0 69.6 -3.8 23.8 52.5 88 152 A P G >4 S+ 0 0 88 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.868 75.7 62.9 -66.9 -24.9 -7.1 23.6 54.3 89 153 A N G 34 S+ 0 0 137 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.636 110.0 38.1 -68.6 -17.0 -8.0 27.1 53.4 90 154 A T G <4 S+ 0 0 8 -3,-2.1 -85,-0.4 -7,-0.2 -1,-0.3 0.317 103.2 153.1-115.4 6.9 -8.0 26.5 49.7 91 155 A A << + 0 0 28 -3,-1.0 2,-0.1 -4,-0.6 3,-0.0 -0.436 35.1 58.1 -81.4 155.4 -9.6 23.0 50.1 92 156 A P S S- 0 0 40 0, 0.0 -88,-2.4 0, 0.0 -87,-1.9 0.478 73.2-170.3 -74.0 152.6 -11.3 21.1 48.7 93 157 A H E -a 5 0A 9 -13,-0.3 2,-0.4 -89,-0.2 -87,-0.2 -0.688 4.6-170.3-103.9 156.3 -8.9 20.8 45.8 94 158 A K E -a 6 0A 61 -89,-2.0 -87,-2.5 -2,-0.3 2,-0.3 -0.988 12.9-140.2-146.1 132.9 -9.7 19.0 42.6 95 159 A Y E -a 7 0A 54 -2,-0.4 2,-0.4 -89,-0.2 -87,-0.2 -0.694 14.7-169.3 -89.5 152.9 -7.4 18.1 39.7 96 160 A Y E -a 8 0A 6 -89,-2.6 -87,-3.2 -2,-0.3 2,-0.5 -0.990 17.3-133.8-135.6 143.3 -8.4 18.3 36.0 97 161 A I E -a 9 0A 13 -2,-0.4 2,-0.5 -89,-0.2 -87,-0.2 -0.842 19.5-176.4-100.1 129.7 -6.5 17.0 33.1 98 162 A G E -a 10 0A 0 -89,-2.5 -87,-1.5 -2,-0.5 2,-0.3 -0.856 5.5-175.8-125.9 100.7 -6.1 19.3 30.1 99 163 A F E -ac 11 105A 2 5,-3.3 7,-1.8 -2,-0.5 -87,-0.2 -0.666 22.7-140.2 -95.0 148.0 -4.3 17.6 27.2 100 164 A R S S+ 0 0 16 -89,-1.6 -87,-0.2 -2,-0.3 -88,-0.2 0.929 93.2 15.9 -75.1 -39.2 -3.5 19.7 24.2 101 165 A Y S S+ 0 0 8 -89,-2.2 2,-0.3 -90,-0.1 -74,-0.3 0.393 121.0 45.2-128.0 6.1 -4.3 17.1 21.4 102 166 A V S S- 0 0 10 -90,-0.4 -3,-0.3 2,-0.2 4,-0.1 -0.896 94.2 -45.4-138.4 165.5 -6.4 14.3 23.0 103 167 A H S S+ 0 0 97 -2,-0.3 -5,-0.1 1,-0.2 -3,-0.1 -0.553 117.4 46.7 -75.8 147.4 -9.4 14.1 25.3 104 168 A P S S- 0 0 36 0, 0.0 -5,-3.3 0, 0.0 -1,-0.2 0.432 91.7-162.3 -76.0 127.0 -9.9 15.6 27.8 105 169 A L B > -c 99 0A 24 -7,-0.2 4,-2.3 -4,-0.1 5,-0.2 -0.308 31.7-106.5 -74.7 154.8 -8.8 18.6 25.8 106 170 A T H > S+ 0 0 0 -7,-1.8 4,-2.3 1,-0.2 5,-0.2 0.915 121.6 51.5 -42.2 -48.7 -7.7 21.8 27.5 107 171 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 108.6 51.1 -65.9 -36.2 -10.9 23.5 26.4 108 172 A E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 109.7 49.1 -67.3 -37.1 -13.0 20.7 27.9 109 173 A A H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.880 109.8 50.9 -66.6 -41.4 -11.3 20.8 31.2 110 174 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.915 108.3 54.5 -63.3 -43.5 -11.7 24.7 31.4 111 175 A E H X S+ 0 0 101 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.922 111.4 45.0 -55.3 -46.8 -15.5 24.2 30.7 112 176 A E H X S+ 0 0 72 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 109.6 52.3 -64.1 -42.4 -15.7 21.8 33.5 113 177 A M H <>S+ 0 0 0 -4,-2.5 5,-1.4 2,-0.2 4,-0.2 0.913 113.0 46.5 -59.4 -44.6 -13.7 23.9 36.0 114 178 A E H ><5S+ 0 0 23 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 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203 267 A M H 3> S+ 0 0 12 42,-3.0 4,-3.1 1,-0.3 5,-0.2 0.790 112.5 66.9 -65.4 -26.3 17.3 24.9 15.7 204 268 A S H 3> S+ 0 0 88 41,-0.5 4,-0.6 1,-0.2 -1,-0.3 0.876 107.2 41.7 -57.7 -33.7 15.0 27.5 14.3 205 269 A V H X>>S+ 0 0 17 -3,-0.9 5,-1.6 2,-0.2 4,-0.6 0.893 114.5 49.1 -78.1 -46.7 13.2 27.3 17.6 206 270 A V H ><5S+ 0 0 6 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.935 111.5 52.4 -53.4 -48.9 16.3 27.2 19.8 207 271 A N H 3<5S+ 0 0 51 -4,-3.1 403,-0.4 1,-0.3 -1,-0.2 0.649 98.9 61.3 -73.0 -15.6 17.7 30.2 17.9 208 272 A R H <<5S- 0 0 75 -4,-0.6 133,-2.2 -3,-0.5 -1,-0.3 0.625 128.4 -89.9 -79.3 -11.7 14.7 32.3 18.4 209 273 A G T <<5 + 0 0 2 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.2 0.574 57.1 175.8 119.0 13.1 15.2 32.1 22.2 210 274 A D < - 0 0 10 -5,-1.6 4,-0.4 1,-0.2 -1,-0.2 -0.244 25.4-145.7 -54.7 129.3 13.3 29.1 23.5 211 275 A P S > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.603 75.6 92.8 -71.8 -12.0 14.1 28.8 27.2 212 276 A Y H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.874 77.3 50.9 -59.3 -51.0 14.0 24.9 27.2 213 277 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 112.6 47.4 -59.2 -39.9 17.6 23.8 26.6 214 278 A Q H > S+ 0 0 15 -4,-0.4 4,-1.7 -3,-0.2 -2,-0.2 0.900 114.9 45.8 -65.5 -40.0 19.0 26.0 29.4 215 279 A E H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.895 112.2 50.1 -71.5 -43.1 16.3 24.8 31.9 216 280 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.941 109.1 53.1 -61.9 -32.6 16.8 21.1 30.9 217 281 A S H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.856 106.8 53.6 -68.6 -34.8 20.6 21.6 31.4 218 282 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.876 106.2 51.2 -62.0 -44.5 19.8 23.0 34.9 219 283 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 109.1 51.6 -57.5 -48.6 17.8 19.9 35.8 220 284 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.939 110.1 48.8 -57.4 -43.9 20.7 17.7 34.8 221 285 A Q H X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.917 110.1 49.2 -65.9 -39.3 23.2 19.6 36.9 222 286 A K H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.861 112.5 49.6 -68.8 -39.6 21.1 19.6 40.0 223 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