==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 20-FEB-08 3CAZ . COMPND 2 MOLECULE: BAR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALDIERIA SULPHURARIA; . AUTHOR J.G.MCCOY,E.BITTO,C.A.BINGMAN,G.E.WESENBERG,G.N.PHILLIPS JR. . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 94.9 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 . 0 0.0 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 . 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 . 11 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 1 1 2 0 0 0 0 4 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 . 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 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 12 A S 0 0 119 0, 0.0 2,-0.2 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 -4.4 10.6 80.1 -11.8 2 13 A S - 0 0 46 0, 0.0 2,-1.0 0, 0.0 109,-0.0 -0.614 360.0 -62.4-132.6-173.3 8.4 77.0 -12.4 3 14 A N > + 0 0 43 -2,-0.2 4,-1.4 1,-0.2 3,-0.5 -0.631 38.3 178.8 -86.7 98.2 5.0 75.4 -11.9 4 15 A X H > S+ 0 0 139 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.883 79.7 60.5 -63.6 -42.6 4.2 75.0 -8.2 5 16 A E H > S+ 0 0 104 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.796 104.8 51.6 -58.1 -30.7 0.8 73.4 -8.7 6 17 A V H >> S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 3,-0.5 0.942 110.3 48.4 -65.5 -48.2 2.5 70.6 -10.6 7 18 A E H 3X S+ 0 0 67 -4,-1.4 4,-4.4 1,-0.2 5,-0.3 0.849 98.5 66.5 -64.6 -38.5 4.9 70.1 -7.7 8 19 A H H 3X S+ 0 0 109 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.910 110.0 39.3 -45.8 -47.0 2.1 70.1 -5.1 9 20 A W H X S+ 0 0 6 -4,-2.1 4,-3.2 1,-0.2 3,-0.6 0.851 97.7 76.1 -89.1 -38.4 4.5 49.9 5.6 24 35 A E H 3X S+ 0 0 45 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.851 99.9 43.9 -44.7 -48.4 5.8 47.3 3.1 25 36 A P H 3> S+ 0 0 72 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.839 113.9 50.8 -71.7 -30.7 8.4 45.9 5.5 26 37 A K H X4 S+ 0 0 48 -3,-0.6 3,-1.0 -4,-0.5 -2,-0.2 0.955 112.4 48.3 -64.4 -49.3 5.9 45.8 8.4 27 38 A L H >< S+ 0 0 4 -4,-3.2 3,-1.5 1,-0.2 4,-0.3 0.897 106.8 55.4 -54.2 -46.7 3.4 44.0 6.1 28 39 A T H 3< S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 109.4 46.9 -67.1 -17.9 6.0 41.5 5.0 29 40 A S T XX S+ 0 0 30 -3,-1.0 3,-1.1 -4,-0.8 4,-1.0 0.226 75.2 111.9-107.5 11.8 6.8 40.4 8.6 30 41 A S H X> S+ 0 0 10 -3,-1.5 4,-0.7 1,-0.3 3,-0.7 0.920 79.7 47.7 -54.4 -49.3 3.3 40.0 9.9 31 42 A G H 3> S+ 0 0 2 -4,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.670 98.4 72.6 -65.0 -18.8 3.5 36.2 10.3 32 43 A T H <> S+ 0 0 65 -3,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.923 93.3 53.4 -59.7 -47.1 6.9 36.6 12.0 33 44 A K H X S+ 0 0 2 -4,-2.2 4,-1.7 -3,-0.4 3,-0.6 0.930 115.4 52.3 -62.0 -45.9 6.7 26.0 27.6 45 56 A C H 3X S+ 0 0 6 -4,-2.9 4,-0.8 1,-0.2 3,-0.3 0.935 108.0 47.9 -53.2 -55.2 4.5 22.9 26.9 46 57 A S H 3< S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.621 106.0 60.5 -70.5 -14.2 7.3 20.5 25.9 47 58 A D H X< S+ 0 0 21 -4,-0.9 3,-0.7 -3,-0.6 4,-0.4 0.929 109.8 40.6 -68.4 -50.5 9.3 21.6 28.9 48 59 A L H 3< S+ 0 0 4 -4,-1.7 -2,-0.2 -3,-0.3 4,-0.2 0.575 108.5 67.7 -72.1 -11.6 6.5 20.3 31.2 49 60 A N T 3< S+ 0 0 43 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.188 90.9 64.2-105.7 39.8 6.1 17.4 28.8 50 61 A Q S < S+ 0 0 119 -3,-0.7 -2,-0.1 0, 0.0 -3,-0.1 0.499 103.3 21.5-122.0 -92.8 9.4 15.7 29.6 51 62 A I S S+ 0 0 38 -4,-0.4 2,-1.4 170,-0.1 3,-0.3 0.500 97.4 97.8 -70.5 -2.3 10.5 14.2 33.0 52 63 A F + 0 0 3 1,-0.2 -1,-0.1 -4,-0.2 3,-0.1 -0.798 50.7 138.7 -71.1 94.7 6.8 14.0 33.7 53 64 A N + 0 0 111 -2,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.794 31.8 86.1-108.7 -60.4 6.9 10.4 32.7 54 65 A K S S- 0 0 135 -3,-0.3 2,-1.3 1,-0.1 -1,-0.1 -0.272 84.7-125.2 -52.8 106.9 4.8 8.3 35.1 55 66 A E + 0 0 136 -2,-0.3 -1,-0.1 4,-0.1 -2,-0.0 -0.431 38.8 172.8 -69.5 92.7 1.3 8.7 33.5 56 67 A D >> - 0 0 47 -2,-1.3 3,-1.7 1,-0.1 4,-0.5 -0.436 56.4-101.5 -76.4 164.8 -1.0 10.0 36.2 57 68 A P T 34 S+ 0 0 107 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.495 130.9 61.5 -58.5 -2.2 -4.5 11.0 35.3 58 69 A R T 3> S+ 0 0 110 2,-0.2 4,-0.7 1,-0.1 5,-0.1 0.462 81.4 73.8-104.0 -7.1 -2.6 14.3 35.5 59 70 A Y H <> S+ 0 0 32 -3,-1.7 4,-2.0 2,-0.2 5,-0.2 0.739 91.8 62.9 -72.0 -23.4 -0.1 13.5 32.7 60 71 A E H X S+ 0 0 90 -4,-0.5 4,-4.4 2,-0.2 5,-0.4 0.979 92.4 58.9 -59.0 -60.6 -3.1 14.2 30.4 61 72 A V H 4 S+ 0 0 17 -4,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.762 113.8 38.6 -46.7 -36.5 -3.6 17.8 31.3 62 73 A V H X S+ 0 0 0 -4,-0.7 4,-2.0 2,-0.2 3,-0.3 0.903 119.5 45.4 -80.6 -45.1 -0.0 18.6 30.2 63 74 A Q H X S+ 0 0 83 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.873 109.4 56.2 -66.1 -38.7 -0.0 16.3 27.2 64 75 A A H X S+ 0 0 19 -4,-4.4 4,-0.8 1,-0.2 -1,-0.2 0.754 112.7 42.9 -64.1 -27.2 -3.5 17.5 26.1 65 76 A G H > S+ 0 0 0 -4,-0.5 4,-1.9 -5,-0.4 -2,-0.2 0.809 111.5 56.0 -80.8 -34.9 -2.0 21.0 26.1 66 77 A A H X S+ 0 0 16 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.884 109.6 43.1 -68.4 -42.8 1.2 19.8 24.4 67 78 A S H X S+ 0 0 65 -4,-2.8 4,-3.5 2,-0.2 -1,-0.2 0.896 114.4 53.0 -65.4 -41.4 -0.7 18.3 21.4 68 79 A A H X S+ 0 0 0 -4,-0.8 4,-1.4 -5,-0.3 -2,-0.2 0.795 106.9 51.4 -64.4 -32.5 -2.9 21.4 21.3 69 80 A A H X S+ 0 0 1 -4,-1.9 4,-1.0 2,-0.2 -27,-0.3 0.865 113.8 44.4 -70.8 -38.3 0.3 23.6 21.2 70 81 A H H >X S+ 0 0 105 -4,-1.6 4,-1.8 2,-0.2 3,-0.7 0.935 107.9 57.9 -67.5 -50.3 1.5 21.5 18.3 71 82 A D H 3X S+ 0 0 53 -4,-3.5 4,-1.8 1,-0.3 -2,-0.2 0.852 104.8 53.6 -43.8 -43.1 -1.9 21.6 16.7 72 83 A F H 3X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 -1,-0.3 0.856 102.6 56.2 -64.4 -38.3 -1.6 25.4 16.7 73 84 A D H < S+ 0 0 86 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.974 115.2 41.9 -74.1 -55.9 1.3 31.4 6.7 81 92 A K H 3< S+ 0 0 158 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.639 127.9 33.1 -66.8 -15.7 2.2 29.3 3.6 82 93 A H H 3< S+ 0 0 126 -4,-1.0 2,-1.3 -5,-0.4 -1,-0.2 0.394 79.2 119.2-125.4 1.0 -1.3 29.8 2.1 83 94 A G + 0 0 133 -2,-1.3 4,-3.3 1,-0.2 5,-0.3 0.819 58.7 80.4 -75.0 -33.1 -2.7 35.0 -0.2 85 96 A E H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.820 99.5 38.1 -46.8 -48.1 -4.3 38.3 1.1 86 97 A I H > S+ 0 0 41 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.958 116.2 50.5 -69.3 -53.2 -1.0 39.8 2.1 87 98 A A H X S+ 0 0 49 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.903 111.3 50.3 -50.2 -48.3 1.0 38.5 -0.8 88 99 A R H X S+ 0 0 91 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.883 109.8 50.6 -56.3 -43.6 -1.6 39.9 -3.2 89 100 A L H X S+ 0 0 1 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.851 107.6 53.5 -66.5 -37.7 -1.5 43.3 -1.5 90 101 A L H >X S+ 0 0 28 -4,-2.4 4,-2.9 2,-0.2 3,-1.0 0.985 105.9 51.9 -58.1 -60.1 2.3 43.4 -1.8 91 102 A E H 3X S+ 0 0 118 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.823 109.3 52.2 -43.7 -39.4 2.1 42.8 -5.5 92 103 A K H 3X S+ 0 0 84 -4,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.846 110.6 46.6 -69.6 -35.6 -0.4 45.7 -5.7 93 104 A I H X S+ 0 0 45 -4,-2.7 3,-2.0 2,-0.2 4,-1.6 0.981 112.3 48.5 -66.5 -60.5 5.1 52.1 -6.4 98 109 A Q H >X S+ 0 0 93 -4,-2.3 4,-2.3 1,-0.3 3,-0.6 0.881 103.0 64.0 -41.3 -51.3 6.5 51.5 -9.9 99 110 A E H 3< S+ 0 0 62 -4,-2.9 4,-0.5 1,-0.3 -1,-0.3 0.793 108.5 40.0 -44.3 -37.8 3.6 53.5 -11.3 100 111 A I H << S+ 0 0 6 -3,-2.0 4,-0.4 -4,-0.7 -1,-0.3 0.699 107.3 59.4 -95.7 -20.9 4.9 56.6 -9.5 101 112 A E H S+ 0 0 11 -4,-0.5 4,-0.9 -5,-0.2 -1,-0.2 0.387 99.7 69.6-101.0 3.4 5.8 59.5 -13.3 104 115 A K H > S+ 0 0 63 -4,-0.4 4,-0.8 -3,-0.2 -2,-0.2 0.771 102.8 48.1 -73.7 -33.5 8.8 60.7 -11.4 105 116 A K H >X S+ 0 0 125 -4,-0.8 4,-1.9 2,-0.2 3,-0.7 0.910 106.2 53.3 -72.7 -47.2 10.4 60.6 -14.8 106 117 A E H 3X S+ 0 0 70 -4,-1.0 4,-1.3 1,-0.3 -1,-0.2 0.881 105.1 58.4 -55.1 -39.3 7.6 62.4 -16.6 107 118 A Y H 3X S+ 0 0 62 -4,-0.9 4,-0.6 1,-0.2 -1,-0.3 0.848 105.1 49.8 -57.4 -37.8 8.1 65.1 -13.9 108 119 A K H XX S+ 0 0 152 -4,-0.8 3,-1.3 -3,-0.7 4,-0.6 0.921 103.9 56.0 -71.5 -44.4 11.7 65.5 -15.0 109 120 A E H >X S+ 0 0 100 -4,-1.9 4,-1.0 1,-0.3 3,-0.9 0.805 96.1 70.8 -55.6 -31.0 11.0 65.9 -18.7 110 121 A T H >X S+ 0 0 12 -4,-1.3 4,-1.5 1,-0.2 3,-0.5 0.883 87.5 61.7 -51.3 -43.5 8.7 68.7 -17.7 111 122 A D H S+ 0 0 18 -4,-3.5 4,-1.4 2,-0.2 5,-0.6 0.854 114.7 45.1 -72.7 -38.5 15.6 92.2 -27.7 128 139 A E H <5S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.841 111.3 54.2 -73.1 -35.1 12.9 94.7 -26.7 129 140 A K H <5S+ 0 0 187 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.934 109.6 47.2 -61.0 -48.3 15.3 96.6 -24.6 130 141 A K H <5S- 0 0 136 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 90.4-166.7 -58.4 -36.8 17.7 96.9 -27.5 131 142 A N T <5 + 0 0 107 -4,-1.4 -3,-0.1 -5,-0.1 3,-0.1 0.935 50.0 106.5 43.3 64.6 14.7 98.0 -29.6 132 143 A K < + 0 0 178 -5,-0.6 2,-1.3 1,-0.2 3,-0.1 0.572 63.2 51.1-131.2 -61.1 16.4 97.5 -33.0 133 144 A D > + 0 0 84 -6,-0.2 4,-1.9 1,-0.2 -1,-0.2 -0.706 60.2 176.3 -89.5 93.0 15.3 94.5 -34.9 134 145 A Q H > S+ 0 0 100 -2,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.826 78.6 51.6 -66.5 -35.3 11.5 94.9 -34.9 135 146 A E H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.873 110.2 50.6 -68.7 -37.7 10.9 91.8 -37.1 136 147 A R H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.885 109.5 48.6 -66.8 -43.2 13.0 89.7 -34.8 137 148 A I H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.815 109.5 53.4 -70.6 -28.6 11.2 90.8 -31.6 138 149 A E H X S+ 0 0 102 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.880 107.7 52.4 -67.8 -37.9 7.9 90.1 -33.3 139 150 A R H X S+ 0 0 166 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.855 113.3 42.1 -65.4 -39.8 9.2 86.6 -34.1 140 151 A N H X S+ 0 0 21 -4,-1.8 4,-3.4 2,-0.2 5,-0.4 0.892 103.5 64.4 -76.6 -43.0 10.1 86.0 -30.4 141 152 A Q H X S+ 0 0 85 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.837 112.3 40.7 -43.3 -36.9 6.9 87.6 -29.0 142 153 A Q H X S+ 0 0 110 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.915 113.8 50.4 -76.8 -48.3 5.4 84.6 -30.9 143 154 A K H X S+ 0 0 117 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.748 109.1 51.4 -71.2 -25.5 7.9 82.0 -30.0 144 155 A F H X S+ 0 0 29 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.916 108.3 51.6 -69.1 -48.0 7.8 82.8 -26.2 145 156 A K H X S+ 0 0 131 -4,-0.9 4,-2.3 -5,-0.4 -2,-0.2 0.790 108.1 54.8 -58.4 -28.5 4.0 82.5 -26.3 146 157 A D H X S+ 0 0 83 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.921 107.6 47.2 -68.3 -46.6 4.6 79.1 -28.0 147 158 A A H X S+ 0 0 12 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.904 113.9 50.1 -60.0 -43.6 6.8 78.0 -25.1 148 159 A E H X S+ 0 0 77 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.986 111.1 45.2 -56.2 -65.0 4.2 79.2 -22.6 149 160 A A H X S+ 0 0 64 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.791 116.1 48.2 -53.0 -34.6 1.2 77.5 -24.2 150 161 A A H X S+ 0 0 41 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.941 114.7 42.1 -74.7 -51.1 3.2 74.2 -24.6 151 162 A Y H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 114.4 53.9 -59.2 -46.1 4.6 74.1 -21.1 152 163 A S H X S+ 0 0 71 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.859 113.1 42.9 -55.7 -41.1 1.2 75.1 -19.8 153 164 A S H X S+ 0 0 65 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.928 111.4 53.2 -71.7 -47.1 -0.5 72.3 -21.7 154 165 A V H X S+ 0 0 39 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.867 112.4 47.1 -56.2 -38.0 2.2 69.7 -20.7 155 166 A C H >X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 3,-1.0 0.965 107.1 52.4 -70.1 -55.7 1.7 70.6 -17.1 156 167 A A H 3X S+ 0 0 60 -4,-2.0 4,-0.6 1,-0.3 -1,-0.2 0.792 108.8 56.5 -49.8 -29.2 -2.1 70.5 -17.1 157 168 A D H 3X S+ 0 0 97 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.831 109.0 43.3 -73.0 -37.4 -1.6 67.0 -18.6 158 169 A L H X S+ 0 0 16 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.909 109.6 51.6 -65.2 -44.1 -2.4 58.2 -9.5 166 177 A W H >< S+ 0 0 20 -4,-3.0 3,-1.6 1,-0.2 4,-0.5 0.940 102.2 61.4 -51.4 -51.8 -3.0 59.9 -6.1 167 178 A K H >X S+ 0 0 106 -4,-2.1 3,-0.6 1,-0.3 4,-0.6 0.772 92.1 68.9 -47.8 -33.6 -6.6 58.7 -6.2 168 179 A K H XX S+ 0 0 100 -4,-0.9 4,-1.5 -3,-0.7 3,-0.8 0.885 85.9 67.2 -52.5 -44.7 -5.3 55.1 -6.2 169 180 A H H S+ 0 0 7 -3,-0.6 4,-1.4 -4,-0.5 -1,-0.2 0.912 108.4 40.5 -49.4 -51.5 -7.5 55.5 -1.0 171 182 A S H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 3,-0.6 0.985 112.9 40.6 -62.8 -62.2 -4.1 42.9 8.0 181 192 A W H 3X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.3 5,-0.3 0.863 111.8 58.3 -58.8 -37.7 -6.9 42.3 10.4 182 193 A S H 3X S+ 0 0 12 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.3 0.899 112.2 41.5 -53.6 -43.5 -8.2 39.5 8.1 183 194 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.6 0.963 110.7 50.9 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4,-0.7 -4,-0.2 -1,-0.2 0.566 104.1 63.8-103.7 -12.9 13.8 21.7 47.3 307 112 B E H X S+ 0 0 71 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.842 100.8 52.4 -74.4 -33.7 16.8 23.8 48.2 308 113 B E H X S+ 0 0 92 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.808 106.2 55.1 -66.9 -30.1 16.2 22.9 51.9 309 114 B I H > S+ 0 0 4 2,-0.2 4,-0.8 -4,-0.2 -1,-0.2 0.733 102.3 56.9 -75.8 -24.6 16.1 19.3 50.8 310 115 B K H X S+ 0 0 56 -4,-0.7 4,-1.9 2,-0.2 3,-0.3 0.920 107.5 47.1 -66.0 -45.1 19.6 19.9 49.3 311 116 B K H X S+ 0 0 156 -4,-1.5 4,-1.1 1,-0.3 -2,-0.2 0.793 110.2 52.1 -71.2 -29.2 20.9 21.0 52.7 312 117 B E H X S+ 0 0 76 -4,-1.4 4,-0.7 2,-0.2 -1,-0.3 0.730 107.5 55.4 -72.1 -24.9 19.3 18.0 54.4 313 118 B Y H >X S+ 0 0 74 -4,-0.8 4,-0.6 -3,-0.3 3,-0.5 0.903 106.3 48.3 -73.2 -43.0 21.1 15.9 51.8 314 119 B K H 3< S+ 0 0 141 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.768 103.5 62.4 -70.3 -25.8 24.5 17.3 52.7 315 120 B E H >X S+ 0 0 99 -4,-1.1 3,-1.3 1,-0.2 4,-0.6 0.841 92.8 65.8 -64.1 -34.3 23.8 16.7 56.4 316 121 B T H XX S+ 0 0 13 -4,-0.7 4,-0.9 -3,-0.5 3,-0.9 0.807 86.7 67.7 -60.1 -34.1 23.5 12.9 55.7 317 122 B D H 3X S+ 0 0 82 -4,-0.6 4,-1.3 -3,-0.5 -1,-0.3 0.765 91.7 62.1 -62.0 -25.9 27.2 12.7 54.8 318 123 B K H <> S+ 0 0 129 -3,-1.3 4,-0.6 -4,-0.4 -1,-0.3 0.883 104.7 47.7 -60.8 -40.2 28.1 13.4 58.4 319 124 B Y H S+ 0 0 102 -4,-0.5 4,-1.2 -5,-0.2 -1,-0.2 0.873 106.4 49.7 -75.0 -37.9 33.9 0.1 59.6 328 133 B V H X S+ 0 0 85 -4,-0.8 4,-2.1 -3,-0.4 -2,-0.2 0.892 114.5 44.7 -63.3 -42.2 37.6 1.0 59.3 329 134 B K H X S+ 0 0 84 -4,-1.6 4,-3.6 2,-0.2 5,-0.4 0.961 109.2 53.1 -69.7 -51.5 38.2 0.6 63.0 330 135 B L H X S+ 0 0 19 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.776 111.9 49.5 -55.3 -28.5 36.2 -2.7 63.4 331 136 B D H X S+ 0 0 101 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.959 116.6 39.1 -69.2 -55.3 38.4 -4.0 60.6 332 137 B N H X S+ 0 0 58 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.822 115.0 52.1 -66.8 -36.0 41.7 -2.9 62.2 333 138 B L H <>S+ 0 0 34 -4,-3.6 5,-0.6 1,-0.2 6,-0.3 0.838 111.4 46.8 -71.6 -34.6 40.8 -3.7 65.8 334 139 B E H <5S+ 0 0 92 -4,-0.9 3,-0.3 -5,-0.4 -2,-0.2 0.816 110.9 53.1 -76.2 -32.5 39.8 -7.3 64.8 335 140 B K H <5S+ 0 0 152 -4,-1.7 2,-2.7 1,-0.3 -2,-0.2 0.987 106.3 50.7 -62.4 -62.3 43.0 -7.8 62.8 336 141 B K T <5S- 0 0 109 -4,-2.1 2,-1.0 -5,-0.1 3,-0.4 -0.464 93.8-156.7 -74.7 69.6 45.3 -6.7 65.6 337 142 B N T 5 + 0 0 112 -2,-2.7 -3,-0.1 -3,-0.3 3,-0.1 -0.321 51.1 111.5 -60.4 93.1 43.5 -9.2 67.8 338 143 B K < + 0 0 182 -2,-1.0 2,-0.8 -5,-0.6 -1,-0.2 0.646 63.2 42.2-133.9 -58.0 44.2 -7.8 71.2 339 144 B D > - 0 0 84 -3,-0.4 4,-2.5 -6,-0.3 3,-0.4 -0.831 54.1-178.1-107.3 99.3 41.3 -6.2 73.1 340 145 B Q T 4 S+ 0 0 96 -2,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.726 85.6 48.3 -65.3 -24.6 38.2 -8.4 72.8 341 146 B E T > S+ 0 0 134 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.680 109.8 50.9 -92.3 -20.1 36.1 -6.0 74.9 342 147 B R H >> S+ 0 0 122 -3,-0.4 4,-1.6 2,-0.2 3,-1.3 0.933 110.0 49.2 -72.7 -52.8 37.2 -2.9 72.9 343 148 B I H 3X S+ 0 0 6 -4,-2.5 4,-1.0 1,-0.3 -2,-0.2 0.663 108.1 58.4 -60.7 -15.3 36.4 -4.6 69.6 344 149 B E H 3> S+ 0 0 104 -5,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.776 102.1 51.1 -81.5 -31.1 33.1 -5.4 71.4 345 150 B R H X S+ 0 0 6 -4,-1.4 3,-1.2 -3,-0.2 4,-0.8 0.914 106.6 52.9 -81.5 -47.4 8.2 16.8 47.5 372 177 B W H >X S+ 0 0 34 -4,-2.4 3,-0.7 1,-0.3 4,-0.5 0.877 102.4 64.5 -49.6 -40.0 8.6 15.1 44.1 373 178 B K H >X S+ 0 0 99 -4,-2.0 3,-0.8 1,-0.2 4,-0.5 0.823 91.9 61.9 -53.6 -37.7 4.9 14.5 44.4 374 179 B K H XX S+ 0 0 96 -3,-1.2 4,-1.5 -4,-0.5 3,-1.1 0.870 85.8 72.1 -62.2 -40.5 4.0 18.2 44.3 375 180 B H H < S+ 0 0 32 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.900 108.9 52.0 -61.4 -42.5 -13.3 41.3 20.4 400 205 B A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 100.6 64.5 -63.4 -28.6 -11.2 44.4 19.4 401 206 B A T >X S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.3 4,-1.7 0.620 70.0 101.2 -73.1 -16.0 -11.9 43.5 15.7 402 207 B N T <4 S+ 0 0 112 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.772 75.2 57.6 -43.9 -44.8 -15.7 44.1 15.9 403 208 B P T 34 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.817 115.7 36.9 -51.9 -34.6 -15.5 47.6 14.3 404 209 B I T X> S+ 0 0 2 -3,-2.2 3,-1.8 -4,-0.2 4,-1.3 0.746 88.4 92.8 -94.9 -27.7 -13.9 46.1 11.2 405 210 B V H >X S+ 0 0 54 -4,-1.7 4,-0.7 1,-0.3 3,-0.6 0.812 85.1 54.4 -35.4 -51.9 -15.7 42.8 10.9 406 211 B P H >4 S+ 0 0 76 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.882 108.8 49.4 -51.9 -41.4 -18.3 44.2 8.5 407 212 B Y H X4 S+ 0 0 63 -3,-1.8 3,-1.1 -4,-0.2 -2,-0.2 0.803 98.1 67.3 -70.0 -31.2 -15.6 45.5 6.1 408 213 B L H XX S+ 0 0 5 -4,-1.3 4,-1.4 -3,-0.6 3,-1.3 0.706 83.4 72.7 -66.9 -23.7 -13.6 42.3 5.9 409 214 B Q H