==== 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 LIPID TRANSPORT 30-MAR-04 1SX6 . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MALININA,M.L.MALAKHOVA,A.TEPLOV,R.E.BROWN,D.J.PATEL . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 71.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 2 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 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 . 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 4 A L > 0 0 40 0, 0.0 3,-0.9 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -47.4 -2.1 4.6 18.6 2 5 A A T 3 + 0 0 24 1,-0.2 3,-0.3 2,-0.1 175,-0.0 0.161 360.0 76.4 -86.9 14.9 -4.4 5.7 15.7 3 6 A E T 3 S+ 0 0 155 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.465 102.6 38.0 -89.0 -12.7 -4.2 9.1 17.4 4 7 A H S < S+ 0 0 83 -3,-0.9 -1,-0.2 22,-0.0 22,-0.1 -0.394 80.3 167.4-139.5 57.1 -0.7 9.4 15.9 5 8 A L - 0 0 77 -3,-0.3 2,-0.2 1,-0.1 175,-0.1 -0.394 39.4-112.7 -65.7 145.1 -0.8 7.9 12.5 6 9 A L - 0 0 9 174,-0.3 177,-0.2 1,-0.1 178,-0.1 -0.587 37.6-103.0 -75.6 149.1 2.1 8.5 10.2 7 10 A K - 0 0 120 -2,-0.2 180,-0.1 1,-0.1 -1,-0.1 -0.331 41.5-100.8 -69.3 154.4 1.4 10.7 7.2 8 11 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 175,-0.1 -0.303 46.7 -89.1 -68.4 159.7 1.1 8.9 3.9 9 12 A L - 0 0 50 -3,-0.1 6,-0.1 6,-0.1 178,-0.0 -0.536 42.1-127.4 -67.0 134.3 4.0 9.0 1.5 10 13 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.270 35.6 -92.4 -72.0 175.1 4.0 12.0 -0.8 11 14 A A T 3 S+ 0 0 113 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.801 126.3 52.0 -62.8 -31.8 4.3 11.3 -4.6 12 15 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.457 105.9-127.0 -87.6 0.9 8.1 11.6 -4.6 13 16 A K < + 0 0 101 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.683 59.6 144.9 64.6 22.6 8.4 9.1 -1.7 14 17 A Q - 0 0 65 53,-0.1 2,-0.6 52,-0.0 -1,-0.2 -0.766 42.0-143.1 -95.0 131.8 10.5 11.6 0.3 15 18 A I - 0 0 20 -2,-0.4 52,-2.0 -3,-0.1 53,-0.3 -0.872 11.9-131.9 -99.2 119.7 10.0 11.5 4.0 16 19 A E B > -A 66 0A 99 -2,-0.6 4,-1.5 50,-0.2 50,-0.3 -0.512 14.7-143.6 -67.0 134.7 10.1 14.8 5.9 17 20 A T H > S+ 0 0 0 48,-2.9 4,-2.5 -2,-0.2 5,-0.2 0.925 89.2 51.7 -71.7 -51.2 12.4 14.4 8.9 18 21 A G H > S+ 0 0 20 47,-0.4 4,-2.1 1,-0.2 5,-0.2 0.934 113.8 40.8 -56.5 -56.9 10.6 16.6 11.5 19 22 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.837 113.9 55.9 -62.8 -34.3 7.1 15.1 11.2 20 23 A F H X S+ 0 0 8 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.926 110.4 44.2 -58.4 -46.8 8.6 11.5 10.9 21 24 A L H X S+ 0 0 7 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.881 112.4 51.7 -68.7 -37.3 10.5 12.0 14.2 22 25 A E H < S+ 0 0 110 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.905 111.7 48.8 -62.2 -41.6 7.5 13.6 15.9 23 26 A A H >< S+ 0 0 11 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.936 113.4 42.6 -67.7 -50.1 5.4 10.6 14.8 24 27 A V H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.694 97.4 76.9 -74.5 -16.2 7.7 7.8 15.9 25 28 A S T 3< S+ 0 0 49 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 87.0 62.9 -63.5 -18.5 8.4 9.6 19.2 26 29 A H T < S+ 0 0 46 -3,-1.2 4,-0.3 -4,-0.4 -1,-0.3 0.540 91.3 68.7 -82.1 -7.5 4.9 8.4 20.4 27 30 A L S X S+ 0 0 13 -3,-1.7 3,-1.5 1,-0.1 4,-0.3 0.923 85.2 62.3 -80.2 -46.0 6.0 4.7 20.1 28 31 A P G > S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.819 94.2 62.0 -50.5 -43.4 8.6 4.4 23.0 29 32 A P G > S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.762 89.2 70.9 -58.3 -26.2 6.1 5.2 25.8 30 33 A F G X S+ 0 0 62 -3,-1.5 3,-0.5 -4,-0.3 -3,-0.1 0.679 88.5 66.6 -58.2 -19.4 4.0 2.1 24.8 31 34 A F G X S+ 0 0 31 -3,-2.1 3,-1.1 -4,-0.3 5,-0.4 0.746 87.5 64.4 -73.7 -25.6 7.0 0.1 26.3 32 35 A D G < S+ 0 0 91 -3,-1.3 3,-0.4 -4,-0.3 -1,-0.2 0.742 101.8 52.3 -67.6 -20.6 6.3 1.3 29.8 33 36 A C G < S+ 0 0 80 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.050 79.3 88.4-111.5 25.5 2.9 -0.6 29.7 34 37 A L S < S- 0 0 32 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.1 0.466 101.5-116.6 -93.8 -10.2 4.2 -4.0 28.7 35 38 A G S S+ 0 0 74 -3,-0.4 -2,-0.1 -4,-0.2 -3,-0.1 0.626 76.5 87.7 91.8 19.1 4.6 -4.7 32.4 36 39 A S > - 0 0 30 -5,-0.4 3,-1.2 1,-0.1 -2,-0.2 -0.998 66.2-139.5-150.5 143.8 8.3 -5.3 32.8 37 40 A P G > S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.557 96.7 83.5 -72.1 -10.0 11.6 -3.4 33.4 38 41 A V G 3 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.1 110,-0.1 0.805 87.1 55.2 -59.9 -28.6 13.1 -5.7 30.9 39 42 A F G <> S+ 0 0 18 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.547 82.8 87.5 -82.9 -9.0 11.8 -3.3 28.3 40 43 A T H <> S+ 0 0 81 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.911 91.4 43.7 -59.8 -46.3 13.5 -0.3 29.8 41 44 A P H > S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.805 112.3 55.4 -64.5 -32.4 16.8 -0.8 27.7 42 45 A I H > S+ 0 0 63 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.936 108.0 46.8 -65.3 -48.7 14.6 -1.5 24.7 43 46 A K H X S+ 0 0 63 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.874 110.5 55.2 -58.7 -40.5 12.8 1.8 25.0 44 47 A A H X S+ 0 0 58 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.843 105.0 51.5 -63.4 -37.5 16.2 3.5 25.5 45 48 A D H X S+ 0 0 84 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.948 115.8 40.2 -67.8 -45.1 17.7 2.1 22.3 46 49 A I H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.960 120.3 44.0 -68.3 -52.9 14.7 3.3 20.2 47 50 A S H X S+ 0 0 43 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.905 111.0 55.6 -52.5 -50.2 14.4 6.6 22.0 48 51 A G H X S+ 0 0 22 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.867 109.1 46.6 -54.0 -42.5 18.1 7.1 21.9 49 52 A N H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 111.1 51.0 -69.9 -40.6 18.2 6.7 18.2 50 53 A I H X S+ 0 0 13 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 111.7 48.7 -59.0 -45.7 15.3 9.1 17.7 51 54 A T H X S+ 0 0 93 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.877 109.1 52.8 -61.2 -41.4 17.1 11.7 19.9 52 55 A K H X S+ 0 0 133 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.896 112.5 43.9 -65.5 -41.8 20.3 11.2 17.9 53 56 A I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 112.4 53.0 -67.9 -45.4 18.5 11.9 14.6 54 57 A K H X S+ 0 0 94 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.891 107.2 52.9 -51.4 -43.6 16.6 14.8 16.0 55 58 A A H X S+ 0 0 55 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.853 110.3 45.8 -69.3 -35.6 19.8 16.4 17.3 56 59 A V H >X S+ 0 0 30 -4,-1.4 3,-1.0 2,-0.2 4,-0.6 0.925 113.6 50.8 -68.3 -44.1 21.4 16.2 13.8 57 60 A Y H >< S+ 0 0 48 -4,-2.7 3,-1.2 1,-0.2 7,-0.3 0.895 103.1 60.0 -57.1 -42.4 18.2 17.6 12.3 58 61 A D H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.679 94.8 63.1 -65.4 -21.5 18.2 20.5 14.8 59 62 A T H << S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.753 129.4 0.1 -73.4 -28.0 21.6 21.8 13.6 60 63 A N 4 S+ 0 0 46 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.919 111.0 47.2 -69.7 -44.5 16.6 22.8 5.9 63 66 A K T 34 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.783 121.6 38.2 -65.1 -30.2 19.7 20.8 5.0 64 67 A F T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 -7,-0.3 -47,-0.2 -0.149 76.9 132.7-111.8 33.8 18.2 17.7 6.7 65 68 A R S < S+ 0 0 144 -3,-1.3 -48,-2.9 -48,-0.1 -47,-0.4 0.840 73.5 27.8 -54.3 -43.8 14.6 18.4 5.5 66 69 A T B > S-A 16 0A 18 -50,-0.3 4,-1.5 -3,-0.2 -50,-0.2 -0.780 82.8-115.8-117.6 164.5 14.1 14.8 4.4 67 70 A L H > S+ 0 0 1 -52,-2.0 4,-1.8 -2,-0.3 5,-0.1 0.841 119.4 56.1 -68.3 -36.5 15.6 11.5 5.5 68 71 A Q H > S+ 0 0 39 -53,-0.3 4,-2.2 2,-0.2 5,-0.3 0.913 103.1 55.3 -54.5 -47.7 17.2 11.2 2.1 69 72 A N H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.906 104.7 54.2 -52.4 -45.7 18.8 14.5 2.7 70 73 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.933 110.5 44.4 -56.2 -51.6 20.4 13.1 5.9 71 74 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.860 117.5 42.8 -65.5 -38.8 22.0 10.2 4.2 72 75 A E H X S+ 0 0 80 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.896 115.3 48.2 -77.8 -40.3 23.4 12.1 1.2 73 76 A V H X S+ 0 0 30 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.895 113.9 46.9 -64.6 -42.6 24.6 15.1 3.2 74 77 A E H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.3 5,-0.3 0.788 106.9 58.7 -70.6 -29.0 26.3 12.8 5.8 75 78 A K H X S+ 0 0 105 -4,-1.2 4,-1.5 -5,-0.2 -2,-0.2 0.953 115.0 36.0 -61.7 -47.9 27.9 10.8 2.9 76 79 A E H < S+ 0 0 168 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 117.7 53.3 -67.0 -46.1 29.5 14.0 1.7 77 80 A M H < S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.753 120.4 27.8 -62.9 -30.4 30.2 15.4 5.2 78 81 A Y H >< S- 0 0 84 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.662 78.4-170.1-113.2 -23.0 32.0 12.3 6.5 79 82 A G G >< S+ 0 0 45 -4,-1.5 3,-1.5 -5,-0.3 -1,-0.2 -0.433 71.4 11.6 60.7-128.4 33.7 10.5 3.7 80 83 A A G 3 S+ 0 0 100 1,-0.3 -1,-0.2 -2,-0.2 -5,-0.0 0.571 121.2 61.2 -67.0 -16.6 35.1 7.1 4.6 81 84 A E G X S+ 0 0 117 -3,-0.9 3,-1.2 2,-0.1 -1,-0.3 0.774 87.0 127.9 -84.3 -26.6 33.5 6.6 8.0 82 85 A W T < + 0 0 27 -3,-1.5 4,-0.1 1,-0.3 -7,-0.0 -0.484 58.6 27.3 -65.8 142.4 30.0 6.8 6.5 83 86 A P T 3 S+ 0 0 18 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.980 115.6 64.4 -91.0 7.4 27.6 5.0 6.7 84 87 A K S < S+ 0 0 112 -3,-1.2 2,-0.3 4,-0.1 -2,-0.1 -0.285 99.3 73.0 -80.9 50.8 28.8 3.9 10.2 85 88 A V S > S- 0 0 23 -2,-1.4 4,-1.6 0, 0.0 3,-0.4 -0.993 83.2 -12.8-157.8 155.9 28.3 7.4 11.6 86 89 A G H > S- 0 0 34 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.033 112.0 -19.9 60.9-146.7 25.9 10.1 12.7 87 90 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.791 131.3 65.8 -72.1 -28.7 22.2 10.1 12.1 88 91 A T H > S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.912 106.1 41.7 -54.7 -46.4 22.6 7.6 9.3 89 92 A L H X S+ 0 0 37 -4,-1.6 4,-1.7 2,-0.2 5,-0.2 0.911 113.6 52.2 -70.8 -43.9 23.8 5.0 11.7 90 93 A A H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 3,-0.3 0.934 112.1 46.6 -52.8 -48.8 21.2 6.0 14.3 91 94 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.787 104.3 61.8 -70.1 -26.3 18.5 5.6 11.6 92 95 A M H X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.903 113.1 36.4 -65.5 -40.1 19.9 2.3 10.5 93 96 A W H X S+ 0 0 31 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.818 113.8 57.6 -79.7 -32.6 19.2 0.8 13.9 94 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.926 102.9 53.9 -60.6 -44.2 16.0 2.8 14.4 95 98 A K H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.831 107.2 50.8 -63.4 -32.6 14.4 1.3 11.3 96 99 A R H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.885 110.3 50.2 -72.7 -39.2 15.1 -2.2 12.5 97 100 A G H X S+ 0 0 10 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.932 114.3 44.0 -56.3 -47.4 13.5 -1.3 15.8 98 101 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.858 111.7 53.3 -69.0 -36.0 10.5 0.0 13.9 99 102 A R H X S+ 0 0 54 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.873 105.4 54.5 -67.3 -38.2 10.4 -2.9 11.5 100 103 A F H X S+ 0 0 41 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 109.6 47.0 -59.3 -45.1 10.4 -5.2 14.5 101 104 A I H X S+ 0 0 22 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.905 112.3 52.3 -62.3 -41.0 7.3 -3.4 15.8 102 105 A Q H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.940 112.3 41.8 -59.3 -52.0 5.8 -3.6 12.3 103 106 A V H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.917 114.7 52.7 -67.5 -42.1 6.2 -7.4 11.9 104 107 A F H X S+ 0 0 21 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.961 113.7 41.7 -55.7 -53.7 5.1 -8.1 15.5 105 108 A L H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.889 114.2 51.2 -64.4 -38.5 1.9 -6.1 15.1 106 109 A Q H X S+ 0 0 64 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.907 108.6 52.6 -69.1 -39.2 1.1 -7.4 11.6 107 110 A S H <>S+ 0 0 2 -4,-2.6 5,-2.0 2,-0.2 4,-0.2 0.910 111.4 46.5 -58.8 -46.5 1.6 -11.0 12.9 108 111 A I H ><5S+ 0 0 6 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 0.977 114.4 46.6 -60.8 -53.7 -0.9 -10.4 15.7 109 112 A C H 3<5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.768 106.5 59.3 -57.3 -30.5 -3.4 -8.7 13.4 110 113 A D T 3<5S- 0 0 95 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.444 116.2-114.1 -82.4 -0.0 -3.0 -11.6 10.8 111 114 A G T < 5 + 0 0 48 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.682 57.6 161.7 74.7 20.0 -4.1 -14.1 13.5 112 115 A E < + 0 0 63 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.570 14.5 142.5 -71.9 129.0 -0.8 -15.9 13.7 113 116 A R - 0 0 115 -2,-0.3 2,-0.7 10,-0.1 3,-0.1 -0.941 58.0 -94.2-152.3 172.9 -0.6 -17.9 16.9 114 117 A D - 0 0 60 3,-0.5 6,-0.2 -2,-0.3 3,-0.2 -0.926 28.9-151.9 -90.8 113.9 0.7 -21.1 18.5 115 118 A E S S+ 0 0 163 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.887 98.8 50.6 -50.4 -41.1 -2.3 -23.5 18.4 116 119 A N S S+ 0 0 129 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.832 127.0 21.7 -66.6 -39.6 -0.8 -25.1 21.5 117 120 A H S > S+ 0 0 107 -3,-0.2 3,-1.1 1,-0.1 -3,-0.5 -0.639 76.3 164.6-130.7 75.1 -0.4 -21.8 23.4 118 121 A P T 3 + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.586 67.3 56.7 -78.2 -15.9 -2.8 -19.4 21.7 119 122 A N T 3 S+ 0 0 65 36,-0.1 36,-2.4 -6,-0.1 37,-0.3 0.251 92.6 87.5 -98.8 10.0 -3.0 -16.6 24.3 120 123 A L < - 0 0 31 -3,-1.1 -6,-0.2 34,-0.3 34,-0.1 -0.602 63.7-153.2 -96.6 167.0 0.7 -16.0 24.2 121 124 A I > + 0 0 4 32,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.031 63.4 111.3-125.0 23.5 2.5 -13.7 21.7 122 125 A R H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.872 77.5 50.3 -67.9 -38.7 5.8 -15.5 21.8 123 126 A V H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.839 112.0 49.0 -69.0 -33.0 5.5 -16.8 18.2 124 127 A N H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 113.5 44.8 -72.3 -45.9 4.7 -13.2 17.0 125 128 A A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.833 112.0 54.5 -66.5 -32.9 7.6 -11.7 18.8 126 129 A T H X S+ 0 0 40 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 108.4 47.1 -69.2 -40.7 9.9 -14.5 17.6 127 130 A K H X S+ 0 0 75 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.908 112.0 50.6 -66.8 -45.1 9.0 -13.9 13.9 128 131 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.933 110.9 50.0 -54.0 -47.9 9.5 -10.1 14.3 129 132 A Y H X>S+ 0 0 8 -4,-2.3 5,-2.8 1,-0.2 4,-1.8 0.920 111.3 48.3 -60.0 -44.3 12.9 -10.9 15.9 130 133 A E H <5S+ 0 0 109 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.852 117.8 40.0 -66.3 -34.9 13.9 -13.2 13.0 131 134 A M H <5S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.850 129.1 24.2 -83.7 -34.9 12.8 -10.8 10.3 132 135 A A H <5S+ 0 0 2 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.832 131.6 6.3-102.6 -40.5 14.1 -7.5 11.8 133 136 A L T ><5S+ 0 0 32 -4,-1.8 3,-2.0 -5,-0.4 -3,-0.2 0.770 95.1 83.9-121.3 -37.9 16.9 -8.0 14.3 134 137 A K G > - 0 0 22 68,-2.8 4,-2.2 -2,-0.5 3,-0.2 -0.163 42.8 -87.0 -70.1 177.7 25.7 -12.2 18.2 139 142 A W H > S+ 0 0 192 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.802 124.1 53.9 -66.2 -28.5 25.0 -15.2 20.3 140 143 A I H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 110.1 44.2 -73.1 -44.0 24.9 -13.4 23.6 141 144 A V H > S+ 0 0 42 65,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.883 111.5 56.4 -68.6 -35.5 22.3 -10.8 22.6 142 145 A Q H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 106.5 48.2 -61.2 -42.9 20.3 -13.5 21.0 143 146 A K H X S+ 0 0 131 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.856 109.4 54.3 -69.4 -32.2 20.2 -15.5 24.3 144 147 A I H X S+ 0 0 104 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.897 105.2 53.0 -65.9 -40.0 19.2 -12.3 26.1 145 148 A F H X S+ 0 0 38 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.938 106.7 53.2 -56.3 -47.8 16.3 -11.9 23.6 146 149 A Q H < S+ 0 0 95 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.855 111.9 44.7 -55.7 -38.3 15.1 -15.4 24.5 147 150 A A H >< S+ 0 0 66 -4,-1.5 3,-1.5 1,-0.2 4,-0.3 0.940 112.4 51.2 -70.0 -47.1 15.2 -14.5 28.2 148 151 A A H >< S+ 0 0 19 -4,-2.9 3,-1.5 1,-0.3 4,-0.3 0.742 95.0 74.5 -61.2 -26.3 13.4 -11.2 27.6 149 152 A L G >< S+ 0 0 24 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.775 86.8 60.6 -60.9 -29.7 10.7 -13.0 25.6 150 153 A Y G < S+ 0 0 165 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.629 89.5 69.2 -77.8 -13.6 9.2 -14.4 28.8 151 154 A A G < S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.625 77.0 114.4 -73.4 -14.6 8.5 -10.8 30.0 152 155 A A < - 0 0 28 -3,-1.1 -30,-0.1 -4,-0.3 3,-0.1 -0.357 65.5-133.6 -53.2 130.0 5.9 -10.7 27.2 153 156 A P - 0 0 28 0, 0.0 -32,-0.3 0, 0.0 -1,-0.1 -0.269 33.7 -80.2 -77.1 169.6 2.3 -10.5 28.4 154 157 A Y > - 0 0 131 -34,-0.1 4,-2.0 1,-0.1 -34,-0.3 -0.327 42.0-111.7 -62.5 156.2 -0.6 -12.6 27.1 155 158 A K H > S+ 0 0 7 -36,-2.4 4,-2.0 1,-0.2 5,-0.3 0.931 118.2 55.4 -55.8 -47.1 -2.2 -11.4 23.8 156 159 A S H > S+ 0 0 41 -37,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.878 111.0 42.6 -53.3 -45.1 -5.3 -10.5 25.7 157 160 A D H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.799 110.6 55.3 -75.3 -32.7 -3.5 -8.2 28.2 158 161 A F H X S+ 0 0 16 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.878 112.0 43.4 -66.4 -40.7 -1.3 -6.6 25.6 159 162 A L H X S+ 0 0 3 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.885 112.5 51.5 -75.7 -41.7 -4.3 -5.5 23.5 160 163 A K H < S+ 0 0 155 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.853 108.7 54.4 -60.1 -34.4 -6.2 -4.4 26.5 161 164 A A H < S+ 0 0 37 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.869 102.1 54.7 -68.9 -39.0 -3.1 -2.3 27.4 162 165 A L H < S+ 0 0 34 -4,-1.4 2,-1.3 1,-0.3 -1,-0.2 0.766 98.0 67.4 -66.1 -26.3 -3.1 -0.6 24.0 163 166 A S < 0 0 23 -4,-1.1 -1,-0.3 -3,-0.1 5,-0.1 -0.616 360.0 360.0 -87.8 71.1 -6.7 0.4 24.8 164 167 A K 0 0 114 -2,-1.3 3,-0.1 -3,-0.1 -2,-0.1 -0.190 360.0 360.0 -86.8 360.0 -5.5 2.7 27.6 165 ! 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 0.0 166 169 A Q 0 0 88 0, 0.0 2,-1.5 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -22.2 -10.2 2.0 26.6 167 170 A N + 0 0 104 -3,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.613 360.0 110.2 -84.4 86.2 -13.9 0.9 26.2 168 171 A V - 0 0 78 -2,-1.5 -5,-0.1 -5,-0.1 2,-0.0 -0.993 65.6-106.4-165.1 139.9 -13.5 -1.2 23.1 169 172 A T > - 0 0 86 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.272 34.2-114.0 -72.3 162.8 -13.6 -4.9 21.8 170 173 A E H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 119.3 54.0 -61.3 -37.7 -10.5 -6.8 20.9 171 174 A E H > S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 107.3 50.4 -67.8 -37.4 -11.7 -6.8 17.3 172 175 A E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.935 109.4 51.9 -63.3 -45.7 -12.0 -3.0 17.3 173 176 A C H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 108.8 49.0 -59.1 -48.0 -8.5 -2.7 18.7 174 177 A L H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.856 108.1 54.8 -62.1 -34.3 -7.0 -4.9 16.0 175 178 A E H X S+ 0 0 104 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.880 108.3 48.6 -69.4 -35.5 -8.8 -2.9 13.3 176 179 A K H X S+ 0 0 105 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.895 111.0 50.9 -67.7 -38.4 -7.2 0.3 14.7 177 180 A I H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 108.4 51.1 -65.6 -40.4 -3.8 -1.4 14.7 178 181 A R H X S+ 0 0 85 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.860 109.4 52.2 -61.9 -37.1 -4.3 -2.5 11.0 179 182 A L H >X S+ 0 0 84 -4,-1.7 3,-1.3 1,-0.2 4,-0.6 0.957 109.5 48.1 -63.0 -51.1 -5.2 1.1 10.2 180 183 A F H 3X S+ 0 0 4 -4,-2.5 4,-1.4 1,-0.2 -174,-0.3 0.870 105.0 60.9 -52.3 -42.3 -2.0 2.3 11.9 181 184 A L H 3X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.642 88.4 74.9 -67.1 -18.0 0.1 -0.2 10.0 182 185 A V H S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 6,-1.1 0.839 112.3 48.1 -68.2 -32.3 19.4 2.3 2.7 196 199 A T H ><5S+ 0 0 95 -4,-1.5 3,-0.9 3,-0.2 -2,-0.2 0.937 112.7 45.8 -74.1 -45.8 19.7 -0.2 -0.2 197 200 A Q H 3<5S+ 0 0 141 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.809 117.2 43.9 -69.2 -30.9 19.9 2.4 -3.0 198 201 A M T 3<5S- 0 0 34 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.438 107.1-127.3 -89.3 -2.0 22.5 4.5 -1.1 199 202 A N T < 5 + 0 0 134 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.837 69.4 133.8 53.5 38.1 24.4 1.4 -0.1 200 203 A A < + 0 0 0 -5,-2.2 2,-0.2 -6,-0.2 -4,-0.2 0.495 30.5 109.7 -92.3 -9.1 24.1 2.6 3.5 201 204 A E - 0 0 38 -6,-1.1 2,-0.3 -9,-0.1 -112,-0.0 -0.508 49.9-165.6 -73.3 135.3 23.0 -0.8 5.0 202 205 A L - 0 0 39 -2,-0.2 -2,-0.1 -119,-0.1 -3,-0.0 -0.906 16.3-157.1-121.8 151.7 25.6 -2.5 7.1 203 206 A N + 0 0 90 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.304 42.5 134.9-113.7 10.7 25.6 -6.1 8.3 204 207 A Y - 0 0 67 1,-0.1 2,-0.2 -68,-0.0 -2,-0.1 -0.223 46.1-134.5 -64.0 148.7 27.8 -6.0 11.4 205 208 A K 0 0 129 -68,-0.1 -68,-0.2 0, 0.0 -69,-0.1 -0.676 360.0 360.0-101.7 159.6 26.7 -7.9 14.5 206 209 A V 0 0 101 -70,-1.6 -68,-2.8 -2,-0.2 -65,-0.4 -0.850 360.0 360.0-120.5 360.0 26.7 -6.7 18.1