==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-BINDING PROTEIN 18-JAN-13 3ZJP . COMPND 2 MOLECULE: PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR A.PESCE,L.TILLEMAN,J.DONNE',E.ASTE,P.ASCENZI,C.CIACCIO,M.COL . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.5 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 . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 0 0 0 1 0 1 1 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A K 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.6 -15.1 1.5 -27.7 2 6 A I > - 0 0 47 3,-0.2 3,-2.1 86,-0.0 82,-0.0 -0.899 360.0-128.8-107.2 104.8 -14.5 2.0 -23.9 3 7 A P T 3 S+ 0 0 88 0, 0.0 85,-0.1 0, 0.0 3,-0.1 -0.245 87.6 7.2 -57.3 131.1 -15.8 5.4 -23.0 4 8 A G T 3 S+ 0 0 28 1,-0.2 2,-0.7 120,-0.0 121,-0.0 0.268 91.2 130.0 85.8 -10.7 -13.2 7.5 -21.1 5 9 A Y < + 0 0 37 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.2 -0.685 22.4 163.9 -82.2 113.0 -10.4 5.0 -21.6 6 10 A T > + 0 0 38 -2,-0.7 3,-2.1 -3,-0.1 4,-0.2 -0.007 7.5 159.3-124.0 29.0 -7.4 7.0 -22.9 7 11 A Y T 3 S+ 0 0 23 1,-0.3 98,-0.1 2,-0.2 97,-0.1 -0.288 74.9 8.5 -55.6 130.4 -4.5 4.6 -22.4 8 12 A G T 3 S+ 0 0 52 96,-0.5 -1,-0.3 95,-0.1 97,-0.1 0.539 122.8 69.3 78.4 7.4 -1.6 5.6 -24.6 9 13 A E < + 0 0 110 -3,-2.1 -2,-0.2 95,-0.1 -1,-0.1 0.061 53.2 107.9-146.9 26.7 -3.2 8.8 -25.8 10 14 A T - 0 0 34 -4,-0.2 3,-0.1 2,-0.1 -3,-0.1 0.798 67.0-149.0 -69.9 -27.0 -3.3 11.2 -22.9 11 15 A E + 0 0 163 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.702 60.8 116.0 58.5 24.0 -0.5 13.2 -24.6 12 16 A N - 0 0 73 95,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.962 63.7-139.2-122.8 117.4 0.7 14.1 -21.2 13 17 A R - 0 0 181 -2,-0.5 4,-0.1 -3,-0.1 91,-0.1 -0.610 29.3-121.8 -72.3 122.7 4.1 12.9 -20.0 14 18 A A - 0 0 10 -2,-0.4 93,-0.1 89,-0.3 -1,-0.1 -0.144 16.9-114.7 -58.7 156.6 3.9 11.8 -16.3 15 19 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.349 101.1 65.9 -75.8 5.7 6.0 13.5 -13.6 16 20 A F - 0 0 3 87,-0.1 -2,-0.2 90,-0.1 2,-0.1 -0.975 68.9-165.7-127.4 149.1 7.8 10.1 -13.2 17 21 A N > - 0 0 80 -2,-0.3 4,-2.4 -4,-0.1 5,-0.1 -0.424 42.5 -79.2-121.7-172.1 10.0 8.3 -15.7 18 22 A L H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.791 127.0 55.2 -70.1 -28.6 11.5 4.9 -16.3 19 23 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 108.5 48.5 -65.5 -45.5 14.3 5.5 -13.8 20 24 A D H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.931 112.9 49.4 -54.2 -46.0 11.6 6.3 -11.2 21 25 A L H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.909 107.7 53.2 -64.0 -40.8 9.9 3.1 -12.2 22 26 A K H X S+ 0 0 99 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 111.8 45.4 -57.0 -47.5 13.1 1.0 -12.0 23 27 A L H X S+ 0 0 86 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.846 113.8 49.2 -68.4 -32.9 13.7 2.2 -8.4 24 28 A L H X S+ 0 0 48 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.909 108.8 52.3 -73.6 -41.9 10.1 1.6 -7.5 25 29 A K H <>S+ 0 0 37 -4,-3.0 5,-2.6 2,-0.2 4,-0.5 0.896 109.1 51.7 -55.4 -40.8 10.1 -1.9 -9.0 26 30 A E H ><5S+ 0 0 106 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.921 108.6 50.5 -63.4 -41.7 13.3 -2.6 -6.9 27 31 A A H 3<5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 114.7 42.4 -65.9 -33.7 11.5 -1.4 -3.7 28 32 A V T 3<5S- 0 0 32 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.351 112.5-119.3 -94.5 3.2 8.5 -3.7 -4.4 29 33 A M T < 5 + 0 0 146 -3,-0.9 2,-0.5 -4,-0.5 -3,-0.2 0.794 57.1 157.1 64.7 33.1 10.7 -6.6 -5.4 30 34 A F < + 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.777 11.2 161.5 -90.7 127.8 9.3 -6.8 -8.9 31 35 A T >> - 0 0 72 -2,-0.5 4,-1.7 -5,-0.0 3,-0.7 -0.730 58.2 -78.3-132.4-176.9 11.6 -8.5 -11.5 32 36 A A H 3> S+ 0 0 60 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.797 126.5 63.0 -56.4 -28.9 11.5 -10.1 -14.9 33 37 A E H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 103.7 47.2 -62.7 -40.5 10.1 -13.2 -13.2 34 38 A D H <> S+ 0 0 11 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.853 106.3 57.8 -69.2 -33.4 7.0 -11.2 -12.1 35 39 A E H X S+ 0 0 82 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.922 108.6 47.5 -58.5 -45.1 6.6 -9.9 -15.7 36 40 A E H X S+ 0 0 71 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.938 116.4 41.6 -59.3 -48.2 6.4 -13.5 -16.8 37 41 A Y H X S+ 0 0 33 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.766 108.8 56.6 -80.7 -25.9 3.9 -14.6 -14.2 38 42 A I H X S+ 0 0 5 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.853 106.9 52.5 -68.5 -35.7 1.7 -11.5 -14.3 39 43 A Q H X S+ 0 0 92 -4,-1.4 4,-1.2 -5,-0.3 3,-0.5 0.937 109.0 48.9 -63.1 -45.4 1.3 -12.2 -18.0 40 44 A K H X S+ 0 0 58 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.857 105.3 58.4 -63.8 -33.6 0.2 -15.8 -17.1 41 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.840 101.8 56.3 -59.0 -35.6 -2.2 -14.3 -14.6 42 46 A G H X S+ 0 0 2 -4,-1.3 4,-1.8 -3,-0.5 -1,-0.2 0.845 103.3 52.6 -66.2 -36.6 -3.8 -12.5 -17.5 43 47 A E H < S+ 0 0 122 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.865 114.3 43.8 -64.5 -37.9 -4.4 -15.7 -19.4 44 48 A V H < S+ 0 0 0 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.888 118.6 40.9 -73.7 -43.0 -6.2 -17.1 -16.3 45 49 A L H >X S+ 0 0 1 -4,-2.4 3,-2.2 1,-0.2 4,-0.6 0.710 90.6 87.0 -84.9 -23.5 -8.3 -14.1 -15.4 46 50 A E G >< S+ 0 0 114 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.846 96.1 37.8 -44.9 -50.5 -9.4 -13.0 -18.9 47 51 A D G 34 S+ 0 0 106 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.196 114.7 55.5 -94.8 16.3 -12.5 -15.3 -19.0 48 52 A Q G X> S+ 0 0 12 -3,-2.2 4,-2.1 2,-0.1 3,-0.7 0.308 72.5 108.9-120.1 2.7 -13.4 -14.8 -15.4 49 53 A V H S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.7 44.3 -59.6 -40.4 -17.3 -10.7 -15.2 51 55 A E H <> S+ 0 0 88 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.843 112.2 52.8 -71.6 -35.7 -17.3 -12.7 -12.0 52 56 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.929 110.1 48.6 -62.8 -45.8 -14.3 -10.7 -10.7 53 57 A L H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.893 109.7 51.7 -60.9 -44.8 -16.2 -7.5 -11.3 54 58 A D H X S+ 0 0 95 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.900 113.3 45.2 -57.3 -44.4 -19.3 -8.9 -9.5 55 59 A T H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.950 116.1 45.4 -63.5 -50.2 -17.1 -9.8 -6.5 56 60 A W H X S+ 0 0 13 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.932 117.0 41.9 -61.8 -51.3 -15.3 -6.5 -6.5 57 61 A Y H X S+ 0 0 27 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.778 110.6 59.7 -71.7 -22.8 -18.3 -4.3 -6.9 58 62 A G H X S+ 0 0 41 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.899 106.0 47.6 -65.6 -43.6 -20.1 -6.5 -4.4 59 63 A F H < S+ 0 0 64 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.954 116.0 43.6 -61.0 -52.6 -17.5 -5.6 -1.8 60 64 A V H >< S+ 0 0 5 -4,-2.2 3,-1.4 1,-0.2 7,-0.8 0.927 114.2 51.5 -56.1 -47.0 -17.7 -1.9 -2.6 61 65 A G H 3< S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 103.1 57.2 -70.6 -21.5 -21.6 -2.0 -2.7 62 66 A S T 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.451 98.6 67.3 -89.2 -0.7 -22.0 -3.7 0.6 63 67 A H X> - 0 0 80 -3,-1.4 4,-2.8 -4,-0.3 3,-2.3 -0.912 67.8-159.7-121.7 102.2 -20.1 -1.0 2.5 64 68 A P H 3> S+ 0 0 103 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.835 92.8 55.1 -52.8 -36.7 -22.0 2.4 2.5 65 69 A H H 34 S+ 0 0 151 2,-0.2 4,-0.1 1,-0.2 -5,-0.0 0.607 115.3 39.8 -74.1 -9.8 -18.8 4.4 3.2 66 70 A L H X4 S+ 0 0 20 -3,-2.3 3,-1.8 -6,-0.3 4,-0.2 0.801 111.9 52.3 -99.3 -47.8 -17.1 2.8 0.2 67 71 A L H >< S+ 0 0 33 -4,-2.8 3,-2.5 -7,-0.8 4,-0.2 0.818 93.2 82.3 -56.8 -29.0 -20.1 2.9 -2.2 68 72 A Y G >< S+ 0 0 111 -4,-1.7 3,-2.0 -5,-0.4 62,-0.4 0.796 77.8 65.6 -36.3 -44.0 -20.1 6.6 -1.1 69 73 A Y G < S+ 0 0 37 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.659 105.0 43.4 -66.7 -13.9 -17.4 7.4 -3.7 70 74 A F G < S+ 0 0 28 -3,-2.5 8,-2.6 -4,-0.2 -1,-0.3 0.216 93.9 118.5-107.1 6.9 -19.9 6.5 -6.5 71 75 A T B < -A 77 0A 12 -3,-2.0 59,-0.5 6,-0.3 -3,-0.0 -0.467 61.4-127.3 -84.8 149.2 -22.9 8.3 -5.1 72 76 A S > - 0 0 27 4,-3.1 3,-2.5 -2,-0.2 57,-0.2 -0.386 45.4 -93.3 -73.1 164.1 -24.9 11.2 -6.4 73 77 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.855 125.8 65.0 -51.3 -33.1 -25.3 14.2 -4.1 74 78 A D T 3 S- 0 0 118 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.444 119.0-109.0 -73.7 0.7 -28.6 12.7 -2.8 75 79 A G S < S+ 0 0 54 -3,-2.5 -1,-0.1 1,-0.3 -4,-0.1 0.397 81.0 121.1 89.5 -1.1 -26.7 9.7 -1.4 76 80 A T S S- 0 0 71 1,-0.1 -4,-3.1 -6,-0.0 -1,-0.3 -0.700 74.0 -96.0 -92.7 148.0 -27.9 7.2 -3.9 77 81 A P B -A 71 0A 43 0, 0.0 2,-0.9 0, 0.0 -6,-0.3 -0.362 32.0-127.8 -61.9 135.9 -25.4 5.3 -6.1 78 82 A N > - 0 0 27 -8,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.780 22.1-165.9 -84.0 107.7 -25.0 6.9 -9.5 79 83 A E H > S+ 0 0 129 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.834 84.6 54.4 -70.7 -31.2 -25.6 3.9 -11.8 80 84 A K H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 110.7 47.1 -62.4 -45.7 -24.2 5.6 -14.9 81 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.943 111.7 50.0 -62.2 -51.2 -21.0 6.3 -13.1 82 86 A L H X S+ 0 0 27 -4,-2.5 4,-2.5 -12,-0.2 -2,-0.2 0.916 112.9 46.8 -52.6 -48.4 -20.7 2.7 -11.7 83 87 A A H X S+ 0 0 45 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.894 113.6 46.5 -65.4 -42.3 -21.3 1.2 -15.2 84 88 A A H X S+ 0 0 18 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.917 114.9 46.3 -69.6 -43.0 -18.8 3.4 -17.0 85 89 A V H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.912 105.6 61.4 -64.3 -41.2 -16.1 2.9 -14.4 86 90 A R H X S+ 0 0 62 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.870 102.0 52.4 -53.7 -39.3 -16.7 -0.8 -14.3 87 91 A K H X S+ 0 0 118 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.879 112.4 43.9 -64.4 -39.5 -15.7 -1.0 -18.0 88 92 A R H X S+ 0 0 32 -4,-1.2 4,-1.8 -3,-0.4 -2,-0.2 0.850 112.8 52.3 -77.1 -32.9 -12.4 0.8 -17.4 89 93 A F H X S+ 0 0 35 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.913 107.4 52.4 -65.7 -45.6 -11.7 -1.3 -14.3 90 94 A S H X S+ 0 0 20 -4,-2.6 4,-1.2 -5,-0.2 3,-0.5 0.942 110.4 48.6 -52.9 -47.0 -12.3 -4.5 -16.3 91 95 A R H X S+ 0 0 82 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.863 103.9 60.5 -63.6 -36.4 -9.8 -3.3 -18.8 92 96 A W H X S+ 0 0 23 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.847 97.9 58.8 -61.3 -34.5 -7.3 -2.4 -16.1 93 97 A I H X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.5 -1,-0.2 0.950 111.5 41.1 -57.9 -46.0 -7.3 -6.1 -15.0 94 98 A L H X S+ 0 0 37 -4,-1.2 4,-2.7 1,-0.2 5,-0.3 0.911 113.3 53.1 -67.7 -43.7 -6.1 -7.0 -18.5 95 99 A D H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.909 105.4 54.4 -59.0 -44.3 -3.7 -4.0 -18.7 96 100 A T H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 118.1 35.9 -57.8 -37.5 -2.0 -5.0 -15.5 97 101 A S H < S+ 0 0 1 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.841 129.5 29.1 -82.8 -34.2 -1.3 -8.4 -16.8 98 102 A N H < S+ 0 0 81 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.712 93.3 90.8-108.5 -28.6 -0.6 -7.7 -20.5 99 103 A R S < S- 0 0 76 -4,-2.4 2,-0.3 -5,-0.3 -60,-0.0 -0.463 73.9-119.2 -75.6 145.0 0.9 -4.2 -20.9 100 104 A S - 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0 0 56 -5,-0.3 -1,-0.2 1,-0.1 5,-0.0 -0.617 61.7 -87.7 -95.9 161.8 -2.7 -24.3 -13.4 159 163 A T > - 0 0 72 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.406 32.7-121.6 -65.9 143.5 -0.3 -25.8 -10.9 160 164 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.797 114.6 58.4 -53.9 -31.6 -0.5 -24.3 -7.3 161 165 A E H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.916 107.9 44.8 -65.6 -43.3 3.1 -23.2 -7.6 162 166 A E H > S+ 0 0 29 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.884 110.8 55.7 -64.4 -38.4 2.2 -21.2 -10.7 163 167 A V H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 107.1 48.8 -59.9 -46.4 -0.8 -19.9 -8.8 164 168 A E H X S+ 0 0 78 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.889 111.9 49.1 -60.2 -41.8 1.4 -18.6 -6.0 165 169 A K H X S+ 0 0 99 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 112.0 48.2 -68.2 -38.8 3.7 -16.9 -8.4 166 170 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 112.5 49.6 -64.1 -41.4 0.8 -15.2 -10.3 167 171 A Y H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 111.1 47.6 -66.2 -47.3 -0.6 -14.1 -7.0 168 172 A Q H X S+ 0 0 69 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.902 111.6 51.5 -60.6 -40.0 2.7 -12.6 -5.7 169 173 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.911 110.9 48.3 -60.9 -42.4 3.1 -10.8 -9.1 170 174 A W H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.900 110.3 51.4 -65.9 -41.7 -0.4 -9.4 -8.8 171 175 A F H X S+ 0 0 86 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.963 113.0 45.8 -58.7 -51.5 0.3 -8.2 -5.2 172 176 A K H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.920 113.7 48.4 -59.3 -45.9 3.5 -6.5 -6.3 173 177 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.851 111.2 49.4 -66.5 -36.8 1.9 -4.9 -9.3 174 178 A T H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 113.0 47.2 -67.6 -43.6 -1.1 -3.6 -7.3 175 179 A T H X S+ 0 0 37 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.918 110.2 53.4 -61.5 -44.8 1.2 -2.1 -4.7 176 180 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.913 110.8 46.7 -55.7 -47.2 3.4 -0.5 -7.4 177 181 A Q H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.948 109.8 50.8 -66.1 -46.8 0.4 1.2 -9.0 178 182 A V H X S+ 0 0 9 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.868 106.9 56.6 -60.1 -34.0 -1.1 2.5 -5.8 179 183 A A H >< S+ 0 0 34 -4,-2.1 3,-0.9 -5,-0.2 4,-0.2 0.947 109.6 45.2 -60.9 -47.4 2.4 4.0 -4.9 180 184 A L H >< S+ 0 0 1 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.876 105.2 61.5 -62.2 -36.7 2.4 5.9 -8.2 181 185 A W H 3< S+ 0 0 25 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.668 87.2 74.2 -71.2 -12.1 -1.2 7.1 -7.7 182 186 A S T XX S+ 0 0 15 -3,-0.9 4,-1.8 -4,-0.8 3,-1.2 0.721 72.4 92.9 -66.8 -18.7 -0.2 8.9 -4.5 183 187 A Y G X4 S+ 0 0 54 -3,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.871 86.7 39.6 -47.6 -55.9 1.4 11.6 -6.7 184 188 A P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.716 118.5 51.1 -70.2 -16.0 -1.5 14.0 -7.0 185 189 A Y G <4 S+ 0 0 43 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.722 94.7 84.7 -85.9 -25.7 -2.4 13.4 -3.3 186 190 A V S << S- 0 0 46 -4,-1.8 5,-0.2 -3,-0.6 3,-0.1 -0.589 89.9-100.6 -91.7 138.4 1.1 14.1 -1.9 187 191 A K > - 0 0 166 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.277 57.2 -86.7 -50.6 135.3 2.5 17.5 -1.0 188 192 A Y T 3 S+ 0 0 209 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 -0.213 115.2 16.3 -53.9 127.5 4.8 18.6 -3.8 189 193 A G T 3 S+ 0 0 65 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.378 106.3 87.0 91.3 -2.6 8.3 17.3 -3.2 190 194 A D < 0 0 114 -3,-2.5 -2,-0.1 -7,-0.1 -3,-0.1 0.430 360.0 360.0-105.8 -0.9 7.3 14.7 -0.7 191 195 A F 0 0 115 -4,-0.3 -1,-0.1 -5,-0.2 -3,-0.1 0.845 360.0 360.0 -83.5 360.0 6.5 11.9 -3.2