==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 11-JUL-07 2QKS . COMPND 2 MOLECULE: KIR3.1-PROKARYOTIC KIR CHANNEL CHIMERA; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS; . AUTHOR M.NISHIDA,R.MACKINNON . 596 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 20.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 0 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 1 7 1 2 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 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 3 A K 0 0 165 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-108.7 34.4 10.9 -6.3 2 4 A K - 0 0 80 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.535 360.0 -86.9 -91.8 159.2 35.5 14.0 -4.5 3 5 A R - 0 0 95 -2,-0.2 2,-0.7 1,-0.1 -1,-0.2 0.015 55.0 -88.0 -53.5 167.2 33.3 17.0 -3.5 4 6 A Q - 0 0 137 2,-0.0 2,-0.2 10,-0.0 -1,-0.1 -0.751 44.3-153.5 -87.3 115.5 32.7 19.8 -6.0 5 7 A R - 0 0 39 -2,-0.7 9,-0.1 1,-0.1 3,-0.1 -0.569 13.8-139.5 -87.4 152.1 35.5 22.4 -5.8 6 8 A F S S+ 0 0 55 1,-0.2 8,-2.4 -2,-0.2 2,-0.4 0.771 90.3 32.6 -80.2 -28.4 34.9 26.0 -6.8 7 9 A V B S-A 13 0A 3 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.998 81.4-132.8-132.5 130.8 38.2 26.4 -8.5 8 10 A D > - 0 0 46 4,-3.5 3,-2.7 -2,-0.4 244,-0.0 -0.400 31.6-105.1 -78.0 161.1 40.2 23.7 -10.3 9 11 A K T 3 S+ 0 0 56 1,-0.3 245,-0.1 244,-0.2 -1,-0.1 0.782 123.1 57.0 -55.2 -28.8 43.9 23.1 -9.7 10 12 A N T 3 S- 0 0 92 243,-0.1 242,-0.3 2,-0.1 -1,-0.3 0.426 125.2-101.5 -84.8 1.9 44.5 24.8 -13.1 11 13 A G S < S+ 0 0 3 -3,-2.7 2,-0.3 1,-0.3 242,-0.1 0.311 74.3 142.7 98.3 -8.8 42.7 28.0 -12.0 12 14 A R - 0 0 137 240,-0.1 -4,-3.5 -5,-0.1 2,-0.5 -0.494 45.2-137.0 -71.1 127.9 39.4 27.3 -13.8 13 15 A C B -A 7 0A 43 -2,-0.3 2,-1.2 -6,-0.2 -6,-0.2 -0.746 1.9-146.7 -89.6 130.3 36.4 28.4 -11.9 14 16 A N + 0 0 49 -8,-2.4 2,-0.3 -2,-0.5 -7,-0.1 -0.466 51.8 131.5 -92.9 61.8 33.4 26.0 -11.9 15 17 A V - 0 0 73 -2,-1.2 2,-0.4 -9,-0.0 -2,-0.0 -0.803 37.1-166.4-113.5 157.4 30.7 28.7 -11.8 16 18 A Q - 0 0 189 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 -0.980 12.8-145.6-143.9 125.5 27.6 29.0 -13.9 17 19 A H - 0 0 175 -2,-0.4 2,-0.2 1,-0.1 0, 0.0 -0.327 19.4-118.5 -85.1 173.2 25.5 32.2 -14.1 18 20 A G 0 0 75 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.492 360.0 360.0-107.7 178.9 21.7 32.3 -14.5 19 21 A N 0 0 215 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 -0.006 360.0 360.0 -81.2 360.0 19.2 33.7 -17.0 20 ! 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 21 29 A Y 0 0 270 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.1 30.4 43.0 -30.4 22 30 A L > + 0 0 100 1,-0.1 4,-2.8 3,-0.1 5,-0.2 0.484 360.0 139.1 59.0 3.0 32.6 39.9 -31.2 23 31 A S H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.841 71.9 34.8 -40.7 -49.9 33.3 40.0 -27.5 24 32 A D H > S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.951 122.2 42.5 -75.5 -52.2 33.0 36.3 -27.2 25 33 A L H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.653 104.8 71.5 -70.2 -14.1 34.5 35.1 -30.5 26 34 A F H X S+ 0 0 74 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.963 98.8 42.5 -65.6 -54.7 37.2 37.8 -30.1 27 35 A T H X S+ 0 0 76 -4,-0.9 4,-3.7 -3,-0.3 -1,-0.2 0.864 111.6 59.2 -60.5 -35.5 39.1 36.1 -27.3 28 36 A T H X S+ 0 0 66 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.961 106.9 44.5 -57.6 -55.0 38.6 32.8 -29.2 29 37 A L H < S+ 0 0 31 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.947 118.2 44.1 -54.6 -52.2 40.4 34.2 -32.3 30 38 A V H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.3 56.0 -60.8 -41.4 43.2 35.6 -30.1 31 39 A D H < S+ 0 0 123 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.869 88.3 101.6 -59.3 -37.7 43.3 32.5 -28.0 32 40 A L S < S- 0 0 58 -4,-2.2 2,-0.1 -3,-0.2 5,-0.0 0.009 85.2-102.7 -47.3 150.6 44.0 30.4 -31.1 33 41 A K >> - 0 0 54 1,-0.1 4,-1.9 4,-0.0 3,-0.8 -0.430 38.1-105.5 -72.1 155.1 47.5 29.3 -31.8 34 42 A W H 3> S+ 0 0 105 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.897 119.1 55.3 -50.3 -49.0 49.3 31.4 -34.5 35 43 A R H 3> S+ 0 0 179 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.855 115.0 39.7 -55.6 -35.9 49.0 28.7 -37.2 36 44 A W H <> S+ 0 0 157 -3,-0.8 4,-1.1 2,-0.2 -1,-0.3 0.697 109.7 61.1 -86.3 -19.9 45.2 28.5 -36.7 37 45 A F H X S+ 0 0 1 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.953 113.2 36.0 -67.9 -49.8 45.0 32.3 -36.3 38 46 A F H X S+ 0 0 116 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.906 113.9 54.7 -71.0 -42.1 46.3 32.8 -39.8 39 47 A V H X S+ 0 0 77 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.837 110.6 51.6 -59.9 -26.8 44.6 29.8 -41.3 40 48 A S H X S+ 0 0 52 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.906 110.0 45.2 -75.1 -43.7 41.5 31.5 -39.8 41 49 A L H X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.881 108.7 58.2 -67.3 -36.8 42.3 34.8 -41.5 42 50 A A H X S+ 0 0 49 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.894 104.2 52.3 -59.0 -40.6 43.0 33.0 -44.7 43 51 A V H X S+ 0 0 77 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.929 110.0 46.5 -62.8 -46.2 39.5 31.6 -44.6 44 52 A L H X S+ 0 0 90 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.910 111.0 54.4 -62.1 -40.5 37.9 35.0 -44.2 45 53 A F H X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.941 110.4 44.9 -56.6 -52.2 40.1 36.3 -47.0 46 54 A L H X S+ 0 0 90 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.882 114.3 49.8 -61.5 -40.4 38.9 33.6 -49.4 47 55 A L H X S+ 0 0 106 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 110.5 48.2 -65.9 -47.1 35.3 34.1 -48.3 48 56 A L H X S+ 0 0 38 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.901 114.4 47.6 -59.6 -40.4 35.4 37.9 -48.8 49 57 A N H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.855 110.2 51.0 -69.9 -35.7 37.0 37.4 -52.2 50 58 A T H X S+ 0 0 60 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.910 112.3 49.5 -66.5 -39.8 34.4 34.8 -53.2 51 59 A A H X S+ 0 0 48 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.923 113.4 41.7 -65.1 -49.9 31.7 37.2 -52.2 52 60 A F H X S+ 0 0 15 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.855 110.1 60.5 -68.9 -31.9 33.0 40.3 -54.1 53 61 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.916 105.2 48.1 -59.8 -43.1 33.8 38.0 -57.0 54 62 A T H X S+ 0 0 61 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.882 108.5 55.0 -66.2 -37.1 30.1 37.1 -57.3 55 63 A L H >< S+ 0 0 55 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.918 106.9 49.3 -62.5 -43.4 29.1 40.8 -57.0 56 64 A Y H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.920 104.8 59.9 -61.3 -42.1 31.3 41.7 -60.0 57 65 A M H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.693 89.1 72.7 -60.2 -19.5 29.8 38.8 -62.0 58 66 A L T << S+ 0 0 131 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.2 0.708 95.0 62.1 -68.8 -19.8 26.3 40.4 -61.6 59 67 A G S < S- 0 0 23 -3,-2.0 2,-0.4 -4,-0.3 35,-0.0 -0.572 94.4-104.7-100.8 168.8 27.4 43.1 -64.1 60 68 A S S S- 0 0 103 1,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 -0.826 90.2 -18.8 -99.3 133.7 28.3 42.6 -67.7 61 69 A A S S+ 0 0 70 -2,-0.4 -1,-0.2 1,-0.1 36,-0.1 0.879 80.5 162.1 39.0 53.6 32.0 42.8 -68.8 62 70 A P + 0 0 4 0, 0.0 31,-3.1 0, 0.0 32,-0.7 0.834 54.3 57.7 -68.8 -31.6 32.8 44.7 -65.5 63 71 A I B > S-B 92 0B 5 29,-0.2 3,-1.2 30,-0.2 27,-0.0 -0.892 79.5-129.9-113.8 126.6 36.5 44.0 -65.7 64 72 A A T 3 S+ 0 0 3 27,-2.5 27,-0.4 -2,-0.5 3,-0.2 -0.345 94.4 2.7 -64.6 146.4 39.0 44.9 -68.4 65 73 A N T 3 S- 0 0 99 1,-0.2 -1,-0.3 25,-0.2 2,-0.2 0.798 87.6-163.5 43.2 39.4 41.1 42.0 -69.6 66 74 A Q < - 0 0 41 -3,-1.2 -1,-0.2 25,-0.1 7,-0.1 -0.315 11.4-142.4 -55.4 115.1 39.3 39.6 -67.2 67 75 A F S S+ 0 0 153 6,-0.2 2,-0.2 -2,-0.2 9,-0.1 -0.980 79.6 21.0-140.3 127.7 41.4 36.5 -66.9 68 76 A P S >S- 0 0 44 0, 0.0 5,-1.2 0, 0.0 6,-0.2 0.620 102.4-116.4 -75.3 165.9 40.5 33.9 -66.7 69 77 A A T 5S+ 0 0 88 -2,-0.2 3,-0.5 3,-0.1 4,-0.1 -0.297 80.4 17.9 -61.2 151.7 37.1 34.6 -68.2 70 78 A G T >>5S- 0 0 31 1,-0.2 4,-1.4 2,-0.1 3,-0.8 -0.392 124.7 -19.4 86.1-164.5 34.2 34.0 -65.8 71 79 A F H 3>5S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.799 127.1 64.1 -50.0 -40.5 34.2 33.8 -62.0 72 80 A G H 3>5S+ 0 0 26 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.907 104.5 44.3 -54.8 -47.6 38.0 33.0 -61.8 73 81 A G H <>S+ 0 0 12 -4,-2.1 6,-2.3 1,-0.2 5,-1.4 0.726 118.7 46.2 -67.3 -20.4 44.3 42.4 -55.9 81 89 A T H ><5S+ 0 0 12 -4,-1.2 3,-1.5 -3,-0.4 -2,-0.2 0.921 109.8 48.6 -85.9 -52.2 41.5 44.9 -55.0 82 90 A L H 3<5S+ 0 0 7 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.871 117.9 42.6 -56.3 -41.4 40.7 43.8 -51.4 83 91 A A T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.369 111.3-123.1 -87.7 3.3 44.4 43.7 -50.5 84 92 A T T < 5S+ 0 0 79 -3,-1.5 -3,-0.2 -5,-0.1 -4,-0.1 0.762 72.1 130.3 58.2 32.4 45.0 47.0 -52.4 85 93 A V < - 0 0 81 -5,-1.4 -4,-0.2 -6,-0.3 -5,-0.1 0.943 39.2-173.7 -75.6 -51.9 47.7 45.5 -54.6 86 94 A G + 0 0 49 -6,-2.3 -5,-0.1 -9,-0.2 -9,-0.0 0.917 16.6 176.1 58.8 52.6 46.1 46.9 -57.8 87 95 A Y - 0 0 189 1,-0.1 -1,-0.1 -10,-0.1 4,-0.1 0.915 27.5-155.6 -50.0 -41.8 48.2 45.3 -60.6 88 96 A G + 0 0 31 2,-0.4 -1,-0.1 -11,-0.1 -24,-0.1 0.391 63.3 111.8 83.4 -6.7 45.6 47.1 -62.8 89 97 A D S S+ 0 0 114 1,-0.1 2,-0.4 -24,-0.0 -1,-0.1 0.964 91.5 39.5 -61.8 -47.0 45.9 44.9 -65.9 90 98 A M S S+ 0 0 20 -23,-0.1 -2,-0.4 -27,-0.0 -25,-0.2 -0.819 90.6 152.8 -92.5 138.5 42.4 43.9 -64.9 91 99 A H - 0 0 81 -2,-0.4 -27,-2.5 -27,-0.4 -25,-0.1 -0.976 51.9 -66.4-161.1 160.8 40.6 47.0 -63.7 92 100 A P B +B 63 0B 23 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 -0.295 42.7 175.8 -55.8 133.1 37.0 48.4 -63.4 93 101 A Q + 0 0 110 -31,-3.1 2,-0.3 1,-0.1 -30,-0.2 0.469 61.5 47.2-115.7 -12.8 35.6 49.0 -66.9 94 102 A T S > S- 0 0 46 -32,-0.7 4,-2.2 1,-0.1 5,-0.1 -0.898 82.4-116.3-130.1 159.9 32.0 50.1 -65.9 95 103 A V H > S+ 0 0 105 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.897 118.3 54.9 -61.6 -38.2 30.5 52.5 -63.4 96 104 A Y H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 108.7 46.5 -59.9 -46.5 28.9 49.5 -61.7 97 105 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.846 108.8 56.8 -64.9 -34.3 32.3 47.8 -61.3 98 106 A H H X S+ 0 0 101 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.873 107.8 47.0 -65.4 -36.8 33.8 51.0 -60.0 99 107 A W H X S+ 0 0 175 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 113.0 48.3 -71.0 -41.4 31.2 51.2 -57.2 100 108 A I H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.936 113.7 47.5 -63.8 -44.2 31.8 47.5 -56.3 101 109 A A H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.885 109.6 53.5 -63.0 -39.9 35.6 48.1 -56.3 102 110 A T H X S+ 0 0 74 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.928 111.8 45.1 -60.6 -45.8 35.2 51.2 -54.2 103 111 A L H X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 113.7 49.7 -64.1 -43.3 33.2 49.3 -51.6 104 112 A E H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.881 107.6 54.1 -65.0 -37.3 35.6 46.4 -51.7 105 113 A I H X S+ 0 0 73 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.939 110.3 46.5 -62.1 -45.4 38.6 48.8 -51.2 106 114 A F H X S+ 0 0 134 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.932 114.6 47.4 -60.9 -47.4 37.0 50.3 -48.1 107 115 A V H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.826 110.9 52.8 -63.3 -33.8 36.2 46.8 -46.8 108 116 A G H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 110.3 44.9 -70.0 -44.5 39.7 45.7 -47.5 109 117 A M H X S+ 0 0 114 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.955 115.0 50.3 -62.5 -47.9 41.4 48.5 -45.6 110 118 A S H X S+ 0 0 41 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.930 111.3 47.5 -53.2 -52.2 38.9 48.0 -42.8 111 119 A S H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.866 112.1 49.6 -59.7 -40.0 39.7 44.2 -42.7 112 120 A I H X S+ 0 0 79 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.892 111.5 50.4 -65.5 -40.5 43.4 44.9 -42.8 113 121 A A H X S+ 0 0 60 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.966 114.3 43.2 -61.9 -52.7 43.0 47.4 -39.9 114 122 A L H X S+ 0 0 127 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.916 114.2 49.1 -60.4 -46.9 41.0 44.9 -37.8 115 123 A A H X S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.877 110.7 52.3 -62.8 -35.5 43.2 41.9 -38.5 116 124 A T H X S+ 0 0 58 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.900 107.7 51.4 -67.2 -40.6 46.3 44.1 -37.7 117 125 A G H X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.958 110.0 49.4 -59.5 -50.7 44.7 45.1 -34.4 118 126 A C H X S+ 0 0 20 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.897 107.8 54.3 -54.8 -44.5 44.0 41.4 -33.5 119 127 A A H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 107.4 50.5 -58.0 -43.1 47.6 40.5 -34.3 120 128 A F H X S+ 0 0 132 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.927 112.7 44.9 -60.4 -49.2 49.0 43.1 -32.0 121 129 A I H >X S+ 0 0 66 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.944 111.7 53.8 -60.8 -47.6 46.8 42.0 -29.1 122 130 A K H >< S+ 0 0 21 -4,-3.0 3,-0.6 1,-0.3 -1,-0.2 0.892 109.9 48.4 -51.9 -43.8 47.7 38.4 -29.9 123 131 A M H 3< S+ 0 0 131 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.794 108.1 54.3 -67.7 -31.8 51.4 39.4 -29.7 124 132 A S H << S+ 0 0 39 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.607 85.3 108.7 -79.3 -13.6 50.9 41.2 -26.4 125 133 A Q S << S- 0 0 83 -4,-1.1 2,-0.1 -3,-0.6 3,-0.1 -0.332 71.3-120.5 -67.1 142.6 49.3 38.1 -24.7 126 134 A P - 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