==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT 17-APR-13 4K80 . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN DOMAIN-CONTAINING PRO . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.K.SIMANSHU,R.E.BROWN,D.J.PATEL . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 77.5 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 . 4 1.9 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 1 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 1 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 . 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 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 6 A T 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 11.9 29.6 75.5 2 7 A G - 0 0 47 38,-0.1 2,-0.3 1,-0.1 168,-0.2 -0.214 360.0 -67.7 69.9-153.0 10.7 30.2 71.9 3 8 A F - 0 0 34 166,-2.8 2,-2.3 38,-0.0 3,-0.2 -0.994 26.2-124.2-145.5 139.2 11.9 33.0 69.6 4 9 A N > + 0 0 104 -2,-0.3 4,-1.0 1,-0.2 3,-0.4 -0.441 46.0 159.2 -80.3 72.1 11.6 36.7 69.6 5 10 A L H > + 0 0 0 -2,-2.3 4,-2.6 165,-0.3 5,-0.3 0.830 59.5 67.1 -68.6 -34.7 10.1 36.8 66.1 6 11 A K H > S+ 0 0 86 164,-0.5 4,-2.6 -3,-0.2 5,-0.2 0.904 98.3 52.4 -55.9 -45.0 8.5 40.3 66.4 7 12 A V H > S+ 0 0 109 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.930 112.4 46.2 -55.6 -47.1 11.9 42.0 66.5 8 13 A V H X S+ 0 0 7 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.925 112.9 47.5 -63.1 -46.6 13.0 40.2 63.3 9 14 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.919 113.8 47.7 -65.0 -40.5 9.8 40.9 61.3 10 15 A V H >< S+ 0 0 45 -4,-2.6 3,-2.0 -5,-0.3 4,-0.3 0.790 96.8 72.3 -72.0 -24.9 9.7 44.6 62.3 11 16 A S H >< S+ 0 0 38 -4,-1.5 3,-1.8 1,-0.3 4,-0.3 0.774 79.2 76.1 -61.7 -23.9 13.4 44.9 61.4 12 17 A F G X< S+ 0 0 1 -3,-1.0 3,-1.3 -4,-0.6 4,-0.3 0.714 78.7 75.0 -61.0 -18.3 12.4 44.7 57.7 13 18 A K G X S+ 0 0 116 -3,-2.0 3,-1.2 1,-0.3 -1,-0.3 0.888 89.5 56.9 -55.5 -40.4 11.2 48.2 58.1 14 19 A Q G < S+ 0 0 118 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.609 89.6 76.9 -70.5 -10.8 14.9 49.3 58.0 15 20 A C G < S+ 0 0 0 -3,-1.3 8,-2.7 -4,-0.3 2,-0.5 0.689 89.5 57.5 -75.4 -19.0 15.3 47.6 54.6 16 21 A L B < -A 22 0A 34 -3,-1.2 6,-0.2 -4,-0.3 -1,-0.1 -0.959 69.2-161.3-118.3 125.7 13.6 50.4 52.6 17 22 A D > - 0 0 24 4,-1.6 3,-1.7 -2,-0.5 -2,-0.0 -0.131 45.7 -80.2 -89.4-168.8 14.7 54.0 52.6 18 23 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.781 133.8 50.0 -64.4 -27.9 12.7 57.2 51.6 19 24 A K T 3 S- 0 0 160 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.373 116.6-116.7 -88.7 3.3 13.5 56.4 48.0 20 25 A E < + 0 0 117 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.876 61.9 152.9 57.0 38.8 12.3 52.9 48.4 21 26 A E - 0 0 52 53,-0.0 -4,-1.6 54,-0.0 2,-0.8 -0.790 49.8-122.2 -86.7 142.5 15.7 51.5 47.7 22 27 A V B -A 16 0A 0 -2,-0.4 52,-2.4 -6,-0.2 2,-0.3 -0.803 27.0-143.2 -86.8 111.0 16.3 48.1 49.3 23 28 A L B > -B 73 0B 28 -8,-2.7 4,-1.6 -2,-0.8 50,-0.3 -0.606 1.6-148.1 -81.1 131.9 19.4 48.6 51.5 24 29 A L H > S+ 0 0 0 48,-2.3 4,-2.8 -2,-0.3 5,-0.2 0.843 89.7 58.0 -72.8 -35.6 21.7 45.6 51.6 25 30 A D H > S+ 0 0 82 47,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.964 113.1 38.6 -60.6 -53.6 23.1 45.9 55.1 26 31 A P H > S+ 0 0 31 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.853 113.7 57.9 -65.4 -31.4 19.6 45.9 56.8 27 32 A Y H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.954 109.5 43.3 -62.1 -49.3 18.5 43.2 54.3 28 33 A I H X S+ 0 0 9 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.894 114.1 52.0 -58.9 -43.5 21.3 40.9 55.4 29 34 A A H X S+ 0 0 56 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.916 110.0 47.9 -60.9 -45.1 20.7 41.8 59.1 30 35 A S H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.909 111.4 50.8 -62.9 -41.8 17.0 40.9 58.8 31 36 A W H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.839 105.3 55.6 -65.2 -36.2 17.8 37.7 57.0 32 37 A K H X S+ 0 0 79 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.892 106.5 52.2 -62.7 -38.3 20.3 36.7 59.8 33 38 A G H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.896 108.2 50.7 -60.4 -40.8 17.4 37.2 62.2 34 39 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.848 107.1 53.7 -68.0 -35.0 15.3 34.9 60.0 35 40 A V H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.891 108.0 49.5 -64.1 -39.5 18.1 32.3 60.2 36 41 A R H X S+ 0 0 134 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.887 110.3 52.0 -66.8 -36.0 18.0 32.5 64.0 37 42 A F H X S+ 0 0 8 -4,-2.0 4,-0.7 2,-0.2 3,-0.4 0.968 110.5 47.3 -60.4 -51.4 14.3 32.0 63.8 38 43 A L H >< S+ 0 0 36 -4,-2.8 3,-1.5 1,-0.2 4,-0.5 0.909 108.1 55.8 -56.7 -44.8 14.8 28.9 61.6 39 44 A N H >< S+ 0 0 74 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.870 102.2 57.2 -54.6 -37.2 17.4 27.6 64.0 40 45 A S H 3< S+ 0 0 58 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.692 96.3 64.7 -70.9 -16.1 14.9 27.8 66.8 41 46 A L T << S- 0 0 39 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.629 118.0 -87.4 -82.6 -12.1 12.5 25.6 64.9 42 47 A G X> - 0 0 29 -3,-1.3 4,-1.6 -4,-0.5 3,-0.9 -0.520 45.0 -63.5 127.0 168.7 15.0 22.6 65.1 43 48 A T H 3> S+ 0 0 126 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.805 123.6 58.5 -61.0 -34.3 18.0 20.9 63.5 44 49 A I H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.866 106.7 48.5 -66.3 -33.2 16.1 20.1 60.3 45 50 A F H <> S+ 0 0 7 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.831 110.8 50.4 -74.4 -32.1 15.4 23.8 59.7 46 51 A S H < S+ 0 0 35 -4,-1.6 4,-0.3 -8,-0.2 3,-0.3 0.929 111.4 51.2 -63.8 -46.7 19.0 24.7 60.3 47 52 A F H >< S+ 0 0 127 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.948 111.2 43.7 -56.0 -53.3 20.0 22.0 57.8 48 53 A I H 3< S+ 0 0 42 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.728 111.3 56.3 -72.6 -16.6 17.7 23.1 55.0 49 54 A S T >X S+ 0 0 6 -4,-1.1 4,-1.9 -3,-0.3 3,-0.6 0.364 72.7 99.7 -95.4 4.8 18.7 26.8 55.5 50 55 A K H <> S+ 0 0 137 -3,-1.5 4,-2.4 -4,-0.3 -1,-0.2 0.857 79.4 60.5 -54.7 -33.7 22.4 26.2 55.1 51 56 A D H 3> S+ 0 0 86 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.892 103.9 48.9 -59.9 -41.1 21.9 27.5 51.6 52 57 A V H <> S+ 0 0 14 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.886 109.0 51.2 -68.4 -41.9 20.7 30.8 52.9 53 58 A V H X S+ 0 0 40 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.938 110.3 50.9 -59.3 -44.3 23.6 31.2 55.3 54 59 A S H X S+ 0 0 44 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.888 110.9 47.6 -61.0 -40.5 26.0 30.6 52.4 55 60 A K H X S+ 0 0 17 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.854 108.4 54.2 -73.3 -33.8 24.3 33.2 50.3 56 61 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 107.8 51.5 -62.5 -41.4 24.3 35.8 53.1 57 62 A R H X S+ 0 0 152 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.880 107.1 53.4 -60.8 -40.9 28.1 35.2 53.4 58 63 A I H X S+ 0 0 21 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.910 110.8 46.3 -60.3 -40.9 28.5 35.8 49.7 59 64 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.857 109.8 53.3 -74.7 -34.3 26.6 39.1 50.0 60 65 A E H X S+ 0 0 82 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.879 107.6 52.4 -64.0 -39.6 28.7 40.1 53.1 61 66 A R H >X S+ 0 0 117 -4,-2.3 4,-0.9 1,-0.2 3,-0.6 0.934 111.4 45.5 -60.2 -47.7 31.9 39.5 51.1 62 67 A L H 3< S+ 0 0 44 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.847 112.7 51.1 -63.8 -35.7 30.7 41.7 48.2 63 68 A R H 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.629 115.5 42.1 -81.1 -13.0 29.6 44.4 50.7 64 69 A G H << S+ 0 0 65 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.470 102.1 90.2-107.0 -6.0 33.0 44.3 52.4 65 70 A G S >< S- 0 0 25 -4,-0.9 3,-1.5 -3,-0.2 4,-0.1 0.053 99.5 -77.2 -82.5-168.2 35.1 44.1 49.2 66 71 A P T 3 S+ 0 0 123 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.768 130.3 46.5 -64.9 -28.1 36.6 46.8 47.0 67 72 A Q T > S+ 0 0 92 -5,-0.2 3,-2.0 1,-0.2 4,-0.3 0.040 72.7 131.5-102.6 23.9 33.2 47.6 45.3 68 73 A S G X + 0 0 42 -3,-1.5 3,-2.1 1,-0.3 -1,-0.2 0.807 64.9 60.2 -48.0 -40.5 31.3 47.8 48.6 69 74 A E G > S+ 0 0 136 1,-0.3 3,-1.1 -3,-0.3 -1,-0.3 0.785 98.1 59.8 -62.9 -27.9 29.6 51.1 47.7 70 75 A H G < S+ 0 0 65 -3,-2.0 10,-0.3 1,-0.2 -1,-0.3 0.488 103.5 51.9 -79.4 -4.3 28.0 49.5 44.7 71 76 A Y G < S+ 0 0 8 -3,-2.1 -1,-0.2 -4,-0.3 -47,-0.2 0.112 73.6 108.1-115.2 19.2 26.3 47.0 46.9 72 77 A R S < S+ 0 0 113 -3,-1.1 -48,-2.3 -48,-0.1 -47,-0.5 0.860 92.0 11.7 -64.0 -36.1 24.8 49.5 49.2 73 78 A S B > S-B 23 0B 1 -50,-0.3 4,-2.4 -4,-0.2 -50,-0.2 -0.944 76.5-116.1-137.2 159.1 21.3 48.8 47.7 74 79 A L H > S+ 0 0 0 -52,-2.4 4,-2.5 -2,-0.3 5,-0.2 0.860 118.5 55.7 -61.2 -33.9 19.9 46.2 45.5 75 80 A Q H > S+ 0 0 43 -53,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.940 109.4 44.2 -64.8 -47.5 19.3 48.9 42.9 76 81 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.887 112.7 54.1 -62.4 -39.5 22.9 50.0 43.0 77 82 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.926 108.5 47.3 -61.2 -48.0 24.0 46.3 42.8 78 83 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.4 0.949 112.9 48.7 -60.0 -48.5 21.9 45.6 39.7 79 84 A A H X S+ 0 0 60 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.922 115.7 44.8 -57.2 -44.5 23.2 48.7 37.9 80 85 A H H X S+ 0 0 17 -4,-2.4 4,-1.4 -10,-0.3 -2,-0.2 0.921 115.7 43.4 -68.5 -47.6 26.8 47.9 38.7 81 86 A E H <>S+ 0 0 3 -4,-2.7 5,-3.6 -5,-0.2 6,-0.5 0.843 116.3 46.6 -71.6 -34.3 26.8 44.2 37.9 82 87 A L H ><5S+ 0 0 54 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.949 113.3 47.1 -72.6 -47.0 24.8 44.5 34.6 83 88 A S H 3<5S+ 0 0 91 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.768 117.0 44.8 -67.6 -25.7 26.8 47.5 33.3 84 89 A N T 3<5S- 0 0 88 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.270 111.3-120.7 -99.8 11.1 30.1 45.7 34.1 85 90 A R T < 5 + 0 0 124 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.912 67.3 140.3 49.8 48.8 28.9 42.3 32.7 86 91 A L < + 0 0 49 -5,-3.6 2,-0.4 -6,-0.1 -4,-0.2 0.243 47.3 82.3-101.1 10.8 29.3 40.7 36.1 87 92 A V S S- 0 0 13 -6,-0.5 2,-0.8 -5,-0.1 7,-0.0 -0.967 74.8-134.2-122.1 129.3 26.1 38.6 35.9 88 93 A D - 0 0 20 7,-0.7 4,-0.1 -2,-0.4 10,-0.0 -0.721 25.7-180.0 -79.6 109.9 25.7 35.3 34.0 89 94 A L S S+ 0 0 107 -2,-0.8 -1,-0.2 119,-0.1 3,-0.1 0.711 74.7 17.4 -88.4 -21.2 22.4 35.9 32.1 90 95 A E S S+ 0 0 181 1,-0.4 2,-0.3 118,-0.1 -2,-0.1 0.769 128.8 5.9-118.7 -52.9 22.2 32.5 30.4 91 96 A R S S- 0 0 64 118,-0.1 -1,-0.4 117,-0.0 2,-0.4 -0.996 77.3-102.8-139.9 144.2 24.4 29.9 32.0 92 97 A R + 0 0 120 -2,-0.3 -5,-0.0 1,-0.2 -3,-0.0 -0.515 69.5 114.6 -68.4 120.9 26.5 29.9 35.1 93 98 A S S S+ 0 0 70 -2,-0.4 -1,-0.2 0, 0.0 -5,-0.0 0.258 75.0 15.1-144.7 -79.8 30.2 30.2 34.2 94 99 A H S S+ 0 0 155 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.738 134.9 30.8 -85.9 -24.0 32.4 33.2 35.0 95 100 A H > + 0 0 62 1,-0.1 3,-1.1 3,-0.0 -7,-0.7 -0.512 65.7 154.0-132.9 67.8 30.2 34.8 37.7 96 101 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.662 79.4 42.3 -68.7 -17.6 28.3 31.8 39.3 97 102 A E T 3 S+ 0 0 107 -3,-0.1 -10,-0.1 4,-0.0 -5,-0.0 -0.178 76.8 156.2-127.7 42.2 27.9 33.8 42.5 98 103 A S <> - 0 0 6 -3,-1.1 4,-2.1 1,-0.1 5,-0.2 -0.275 54.4-117.7 -59.7 152.2 27.0 37.4 41.4 99 104 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.885 114.9 57.8 -56.2 -39.8 25.1 39.5 43.9 100 105 A C H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.960 111.0 37.2 -58.2 -55.8 22.3 39.5 41.4 101 106 A R H > S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.803 118.8 52.5 -68.6 -28.0 21.8 35.7 41.1 102 107 A T H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.6 0.943 108.9 45.8 -74.4 -50.5 22.5 35.3 44.9 103 108 A V H 3X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.851 104.0 67.3 -59.7 -32.9 20.0 37.8 46.2 104 109 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.894 101.9 45.8 -53.7 -42.9 17.5 36.3 43.8 105 110 A R H < S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.925 106.8 56.3 -58.5 -48.2 -0.7 31.0 59.8 121 126 A R H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 117.2 33.7 -54.0 -40.3 -2.1 34.5 60.6 122 127 A T T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.325 92.3 124.3-101.4 6.0 -5.4 33.7 59.0 123 128 A S < - 0 0 12 -3,-1.2 -3,-0.1 -4,-0.5 2,-0.0 -0.316 65.2-109.3 -69.9 149.5 -5.6 30.0 59.8 124 129 A P > - 0 0 81 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.346 36.8-104.3 -65.4 158.7 -8.6 28.4 61.6 125 130 A E T 3 S+ 0 0 89 1,-0.3 39,-0.2 -2,-0.0 38,-0.1 0.774 120.8 54.5 -58.1 -26.9 -7.9 27.2 65.2 126 131 A D T 3 S+ 0 0 136 37,-0.1 -1,-0.3 2,-0.1 2,-0.0 0.422 79.7 121.8 -90.3 2.2 -7.8 23.6 63.9 127 132 A A < - 0 0 20 -3,-1.9 36,-0.5 -7,-0.1 2,-0.4 -0.348 61.8-125.8 -67.1 143.0 -5.1 24.1 61.2 128 133 A R > - 0 0 183 1,-0.1 4,-2.2 34,-0.1 3,-0.2 -0.773 5.4-141.7 -90.8 134.0 -1.9 22.0 61.4 129 134 A T H > S+ 0 0 1 -2,-0.4 4,-2.2 32,-0.4 5,-0.2 0.882 102.8 57.1 -60.5 -38.0 1.3 24.0 61.3 130 135 A S H > S+ 0 0 37 30,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.894 107.7 46.5 -60.1 -42.1 2.9 21.3 59.2 131 136 A A H > S+ 0 0 39 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 110.2 52.9 -68.5 -40.8 0.2 21.7 56.5 132 137 A L H X S+ 0 0 28 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.888 112.2 47.0 -60.0 -39.2 0.5 25.5 56.6 133 138 A C H X S+ 0 0 5 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.939 114.8 43.9 -67.9 -50.3 4.2 25.1 56.0 134 139 A A H X S+ 0 0 20 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.923 113.8 51.2 -60.0 -47.1 3.9 22.5 53.2 135 140 A D H X S+ 0 0 108 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.914 111.9 45.6 -59.8 -45.6 1.1 24.5 51.5 136 141 A S H X S+ 0 0 10 -4,-1.8 4,-0.8 -5,-0.3 5,-0.3 0.868 114.5 50.1 -67.3 -34.2 3.1 27.7 51.5 137 142 A Y H ><>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-1.2 0.973 111.5 46.2 -64.8 -53.8 6.2 25.9 50.3 138 143 A N H 3<5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.642 112.1 52.8 -67.8 -14.9 4.4 24.2 47.4 139 144 A A H 3<5S+ 0 0 80 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.716 127.7 7.7 -83.7 -23.1 2.7 27.5 46.4 140 145 A S T X<5S+ 0 0 9 -3,-1.2 3,-1.4 -4,-0.8 4,-0.2 0.644 126.7 24.3-125.0 -96.0 6.0 29.4 46.2 141 146 A L G > 5S+ 0 0 18 -5,-0.3 3,-2.1 1,-0.3 4,-0.3 0.796 106.3 73.3 -61.2 -34.0 9.6 28.3 46.5 142 147 A A G > > - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.351 38.0-106.8 -59.6 148.0 13.6 19.9 41.4 147 152 A W H 3> S+ 0 0 177 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 120.2 54.6 -45.7 -43.8 11.1 17.3 42.7 148 153 A V H 3> S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 107.0 49.6 -65.4 -38.7 13.9 15.4 44.6 149 154 A V H <> S+ 0 0 60 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.892 107.3 56.0 -64.4 -38.9 14.9 18.6 46.4 150 155 A R H X S+ 0 0 70 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 105.8 52.0 -57.3 -42.3 11.2 19.2 47.3 151 156 A R H X S+ 0 0 155 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.891 109.3 48.5 -61.2 -41.8 11.2 15.8 48.9 152 157 A A H < S+ 0 0 54 -4,-1.7 3,-0.3 1,-0.2 4,-0.3 0.904 114.0 46.1 -66.5 -41.6 14.3 16.5 51.0 153 158 A V H >< S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.889 104.6 62.3 -65.5 -40.9 12.8 19.9 52.2 154 159 A T H >X S+ 0 0 61 -4,-2.6 3,-1.7 1,-0.3 4,-0.6 0.785 83.9 76.9 -59.5 -29.5 9.4 18.3 52.9 155 160 A V T 3< S+ 0 0 92 -4,-1.0 3,-0.4 -3,-0.3 -1,-0.3 0.819 90.2 59.7 -47.7 -31.9 11.0 16.1 55.6 156 161 A A T X4 S+ 0 0 0 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.3 0.778 86.7 74.0 -69.6 -29.3 11.0 19.2 57.8 157 162 A F G X4 S+ 0 0 8 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.2 0.835 88.7 56.1 -63.2 -36.9 7.3 19.8 57.8 158 163 A C G 3< S+ 0 0 110 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.565 95.2 69.1 -74.6 -8.2 6.2 17.0 60.2 159 164 A T G < S+ 0 0 75 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.461 75.9 106.5 -87.8 -2.2 8.6 18.3 62.9 160 165 A L < - 0 0 21 -3,-1.3 -30,-0.2 -4,-0.2 3,-0.1 -0.502 68.6-124.8 -78.4 147.7 6.5 21.4 63.6 161 166 A P - 0 0 53 0, 0.0 -32,-0.4 0, 0.0 -31,-0.2 -0.102 43.8 -65.1 -79.3-176.0 4.4 21.7 66.7 162 167 A T > - 0 0 85 -34,-0.1 4,-2.9 -33,-0.1 5,-0.2 -0.231 49.6-106.6 -64.7 162.9 0.7 22.4 66.9 163 168 A R H > S+ 0 0 31 -36,-0.5 4,-2.7 1,-0.2 5,-0.2 0.900 120.1 52.4 -55.5 -45.4 -0.6 25.8 65.8 164 169 A E H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 113.3 42.3 -58.8 -50.4 -1.2 26.8 69.4 165 170 A V H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 113.6 52.8 -66.1 -41.0 2.3 26.0 70.5 166 171 A F H < S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.925 112.5 44.5 -61.6 -45.0 3.9 27.5 67.4 167 172 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 5,-0.4 0.920 112.5 50.5 -65.4 -44.3 2.0 30.8 67.9 168 173 A E H >< S+ 0 0 83 -4,-2.5 3,-1.9 1,-0.3 5,-0.3 0.826 98.7 68.8 -65.0 -28.0 2.8 30.9 71.7 169 174 A A T 3< S+ 0 0 38 -4,-2.0 -166,-2.8 1,-0.3 -1,-0.3 0.560 80.4 76.4 -68.0 -7.7 6.4 30.3 70.9 170 175 A M T < S- 0 0 4 -3,-1.7 -164,-0.5 3,-0.2 -165,-0.3 0.515 101.2-132.5 -79.6 -5.0 6.6 33.8 69.3 171 176 A N S < S+ 0 0 70 -3,-1.9 -2,-0.1 2,-0.2 -3,-0.1 0.665 77.3 105.8 67.6 22.6 6.7 35.1 72.9 172 177 A V S S- 0 0 37 1,-0.4 -1,-0.1 -5,-0.4 -3,-0.1 0.114 88.8 -82.7-118.7 20.8 4.0 37.8 72.5 173 178 A G S S- 0 0 33 -5,-0.3 -1,-0.4 4,-0.1 -3,-0.2 -0.697 76.6 -15.2 115.8-168.1 1.1 36.1 74.4 174 179 A P S >> S- 0 0 61 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.168 81.9 -85.3 -68.1 167.6 -1.6 33.6 73.5 175 180 A P H 3> S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.784 127.5 54.8 -45.7 -43.7 -2.4 32.6 69.9 176 181 A E H 3> S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.875 110.4 46.8 -64.1 -36.3 -4.8 35.5 69.3 177 182 A Q H <> S+ 0 0 100 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.881 110.6 51.2 -69.4 -39.3 -2.2 38.0 70.4 178 183 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 107.7 54.7 -64.1 -38.6 0.5 36.3 68.2 179 184 A V H X S+ 0 0 33 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.905 106.8 50.9 -57.0 -43.4 -2.0 36.6 65.3 180 185 A Q H X S+ 0 0 137 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.885 107.9 53.0 -59.9 -43.9 -2.3 40.4 66.1 181 186 A M H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.917 107.3 49.9 -60.8 -45.1 1.5 40.7 65.9 182 187 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.858 107.5 55.3 -62.1 -36.2 1.8 39.0 62.5 183 188 A G H < S+ 0 0 32 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.4 42.3 -64.2 -36.4 -0.9 41.4 61.2 184 189 A E H < S+ 0 0 118 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.903 123.5 33.5 -73.0 -43.9 1.2 44.3 62.3 185 190 A A H >X S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.2 4,-0.7 0.795 97.7 74.4 -95.0 -32.5 4.6 43.1 61.2 186 191 A L H >X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.3 3,-0.8 0.837 84.4 69.5 -52.1 -38.1 4.2 41.1 58.0 187 192 A P H 3> S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.796 92.2 60.8 -54.8 -26.6 3.6 44.2 55.9 188 193 A F H <> S+ 0 0 31 -3,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.899 108.4 41.7 -67.0 -41.0 7.2 45.1 56.4 189 194 A I H S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 6,-0.4 0.906 115.0 49.4 -69.2 -41.3 14.2 42.0 39.2 201 206 A A H ><5S+ 0 0 48 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.924 105.9 58.3 -59.8 -44.6 11.2 41.9 36.8 202 207 A E H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 114.1 36.8 -56.5 -36.6 12.1 45.4 35.5 203 208 A H T 3<5S- 0 0 69 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.210 112.3-114.8-103.3 14.1 15.5 44.1 34.4 204 209 A S T < 5S+ 0 0 111 -3,-1.8 3,-0.2 -4,-0.1 -3,-0.2 0.883 76.0 130.4 55.9 42.5 14.4 40.7 33.3 205 210 A L > < + 0 0 4 -5,-3.0 3,-1.6 1,-0.1 -4,-0.2 0.345 28.4 105.3-106.1 4.1 16.4 39.0 36.1 206 211 A L T 3 S+ 0 0 53 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.597 86.0 42.3 -67.2 -9.1 13.8 36.7 37.5 207 212 A D T 3 S+ 0 0 139 -3,-0.2 -1,-0.3 -118,-0.1 -2,-0.1 0.019 74.9 154.3-127.9 30.7 15.3 33.6 35.9 208 213 A L < 0 0 4 -3,-1.6 -119,-0.1 1,-0.1 -118,-0.1 -0.339 360.0 360.0 -55.5 135.0 19.1 34.1 36.5 209 214 A P 0 0 36 0, 0.0 -121,-0.1 0, 0.0 -118,-0.1 -0.250 360.0 360.0 -67.9 360.0 20.9 30.8 36.5