==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID TRANSPORT 09-AUG-12 4GIX . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.R.SAMYGINA,B.OCHOA-LIZARRALDE,L.MALININA . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 72.5 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 . 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 . 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 . 31 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 51.7 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 0 0 2 0 1 2 0 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 3 A L >> 0 0 63 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -58.5 -0.8 4.8 20.0 2 4 A L G >4 + 0 0 10 161,-0.3 3,-2.1 1,-0.3 176,-0.1 0.926 360.0 44.4 -53.5 -55.4 1.0 3.3 16.9 3 5 A A G 34 S+ 0 0 23 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.442 100.3 70.6 -73.1 1.6 -1.6 4.4 14.4 4 6 A E G <4 S+ 0 0 118 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.545 104.8 43.5 -84.4 -10.5 -1.8 7.9 16.0 5 7 A H S << S+ 0 0 68 -3,-2.1 -1,-0.2 -4,-0.5 22,-0.1 -0.477 81.2 173.8-134.9 60.7 1.8 8.4 14.6 6 8 A L - 0 0 72 -3,-0.4 2,-0.2 1,-0.1 175,-0.1 -0.364 33.0-116.2 -62.5 145.1 1.6 7.1 11.0 7 9 A L - 0 0 5 174,-0.3 177,-0.1 1,-0.1 178,-0.1 -0.519 39.1 -95.4 -78.0 156.9 4.7 7.6 8.8 8 10 A K - 0 0 76 -2,-0.2 -1,-0.1 1,-0.1 180,-0.1 -0.352 43.7-100.9 -73.0 150.9 4.2 9.7 5.8 9 11 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 175,-0.0 -0.314 43.9-100.4 -64.0 156.5 3.5 8.0 2.5 10 12 A L - 0 0 37 -3,-0.1 6,-0.1 6,-0.1 178,-0.0 -0.693 34.7-132.2 -81.8 131.1 6.4 7.6 0.1 11 13 A P > - 0 0 57 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.254 31.8 -96.6 -74.2 170.9 6.6 10.2 -2.7 12 14 A A T 3 S+ 0 0 102 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.863 126.5 51.3 -55.2 -37.9 7.3 9.1 -6.3 13 15 A D T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.498 105.9-130.2 -81.5 0.0 11.0 9.8 -6.0 14 16 A K < + 0 0 90 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.684 53.2 151.3 56.6 26.2 11.2 7.7 -2.8 15 17 A Q - 0 0 56 53,-0.1 2,-0.6 52,-0.0 -1,-0.2 -0.652 36.4-146.9 -85.9 137.0 13.0 10.5 -0.9 16 18 A I - 0 0 19 -2,-0.3 52,-2.2 -3,-0.1 53,-0.3 -0.941 12.9-130.7-109.4 116.0 12.3 10.4 2.8 17 19 A E B > -A 67 0A 101 -2,-0.6 4,-1.7 50,-0.2 50,-0.3 -0.447 13.0-144.8 -65.5 129.2 12.2 13.8 4.6 18 20 A T H > S+ 0 0 0 48,-2.8 4,-2.7 47,-0.2 5,-0.2 0.923 90.4 54.1 -67.0 -46.2 14.5 13.7 7.7 19 21 A G H > S+ 0 0 18 47,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.941 113.2 40.0 -56.6 -59.4 12.4 16.0 10.0 20 22 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.830 114.2 55.0 -59.3 -38.5 9.1 14.1 9.7 21 23 A F H X S+ 0 0 1 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.949 110.0 45.8 -56.5 -52.3 10.8 10.7 9.8 22 24 A L H X S+ 0 0 11 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.873 111.5 52.8 -61.0 -38.2 12.5 11.5 13.0 23 25 A E H < S+ 0 0 106 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.903 112.7 44.7 -64.3 -42.3 9.3 12.9 14.5 24 26 A A H >< S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.952 114.7 45.1 -66.0 -53.3 7.5 9.7 13.6 25 27 A V H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.742 96.4 75.7 -70.0 -19.0 10.1 7.3 14.9 26 28 A S T 3< S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.706 91.2 58.6 -63.6 -16.3 10.5 9.3 18.1 27 29 A H T < S+ 0 0 54 -3,-1.7 -1,-0.3 -4,-0.3 4,-0.2 0.435 93.1 71.1 -86.3 -1.0 7.2 7.7 19.2 28 30 A L S X> S+ 0 0 7 -3,-2.1 3,-2.1 1,-0.1 4,-0.5 0.837 73.5 74.6 -90.5 -36.7 8.5 4.2 18.9 29 31 A P G >4 S+ 0 0 3 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.847 92.5 57.9 -47.5 -42.0 11.0 3.8 21.8 30 32 A P G >> S+ 0 0 61 0, 0.0 3,-2.5 0, 0.0 4,-0.9 0.760 86.0 82.2 -57.8 -24.8 8.1 3.5 24.3 31 33 A F G X4 S+ 0 0 1 -3,-2.1 3,-1.3 1,-0.3 4,-0.2 0.905 86.5 56.8 -36.7 -50.0 6.9 0.5 22.2 32 34 A F G << S+ 0 0 9 -3,-1.1 3,-0.5 -4,-0.5 5,-0.3 0.644 98.3 60.6 -64.3 -17.6 9.4 -1.5 24.1 33 35 A D G X4 S+ 0 0 65 -3,-2.5 3,-1.3 -4,-0.2 -1,-0.3 0.691 87.9 70.1 -81.9 -23.7 7.8 -0.5 27.4 34 36 A C T << S+ 0 0 23 -3,-1.3 -1,-0.2 -4,-0.9 128,-0.2 0.560 87.6 69.2 -66.5 -10.0 4.5 -2.1 26.4 35 37 A L T 3 S- 0 0 14 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.727 103.4-139.4 -76.1 -28.0 6.5 -5.3 26.9 36 38 A G < + 0 0 65 -3,-1.3 -3,-0.1 1,-0.2 -2,-0.1 0.864 59.2 95.1 78.6 40.8 6.4 -4.4 30.7 37 39 A S S > S- 0 0 30 -5,-0.3 3,-1.4 1,-0.0 -1,-0.2 -0.969 70.7-129.3-155.9 145.3 9.9 -5.2 32.0 38 40 A P G > S+ 0 0 102 0, 0.0 3,-1.4 0, 0.0 -2,-0.0 0.582 98.2 84.1 -71.2 -10.5 13.2 -3.3 32.6 39 41 A V G 3 S+ 0 0 67 1,-0.2 4,-0.2 2,-0.1 110,-0.1 0.777 92.0 51.6 -56.1 -24.1 15.0 -6.0 30.7 40 42 A F G <> S+ 0 0 18 -3,-1.4 4,-2.2 1,-0.2 3,-0.4 0.500 84.1 89.6 -92.8 -3.8 13.9 -3.9 27.7 41 43 A T H <> S+ 0 0 75 -3,-1.4 4,-2.2 1,-0.2 5,-0.2 0.934 84.7 50.7 -64.5 -47.7 15.3 -0.6 29.0 42 44 A P H > S+ 0 0 89 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.784 110.5 53.2 -58.2 -26.3 18.8 -0.8 27.5 43 45 A I H > S+ 0 0 83 -3,-0.4 4,-2.1 2,-0.2 3,-0.3 0.949 107.3 48.5 -73.1 -52.4 17.1 -1.6 24.1 44 46 A K H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.875 111.6 53.3 -49.9 -40.5 14.9 1.4 24.2 45 47 A A H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.840 106.6 49.6 -68.4 -38.3 18.1 3.5 25.1 46 48 A D H X S+ 0 0 99 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.917 113.9 45.5 -67.7 -41.5 20.1 2.2 22.1 47 49 A I H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 113.4 50.1 -68.5 -45.8 17.3 3.0 19.7 48 50 A S H X S+ 0 0 39 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.861 107.1 55.9 -55.1 -39.8 16.7 6.4 21.3 49 51 A G H X S+ 0 0 35 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.889 105.7 50.2 -63.0 -41.0 20.5 7.1 21.0 50 52 A N H X S+ 0 0 20 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.937 112.1 48.6 -60.9 -47.2 20.4 6.5 17.2 51 53 A I H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.930 111.4 48.9 -59.8 -46.8 17.5 8.9 16.9 52 54 A T H X S+ 0 0 75 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 111.3 50.6 -57.3 -42.6 19.2 11.6 19.0 53 55 A K H X S+ 0 0 99 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.912 111.4 46.3 -65.9 -45.0 22.4 11.3 17.0 54 56 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 113.3 49.8 -64.1 -43.4 20.6 11.6 13.6 55 57 A K H X S+ 0 0 93 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.894 107.0 55.7 -60.1 -42.2 18.6 14.6 15.0 56 58 A A H X S+ 0 0 49 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.902 111.3 43.2 -58.4 -44.4 21.8 16.2 16.2 57 59 A V H >X S+ 0 0 18 -4,-1.9 3,-1.2 2,-0.2 4,-0.6 0.961 114.4 50.2 -65.7 -49.5 23.4 16.1 12.7 58 60 A Y H >< S+ 0 0 49 -4,-2.6 3,-1.5 1,-0.3 7,-0.3 0.888 104.8 58.8 -53.9 -45.3 20.2 17.2 11.0 59 61 A D H 3< S+ 0 0 94 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.749 90.6 69.6 -62.7 -24.4 19.9 20.1 13.4 60 62 A T H << S- 0 0 109 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.796 130.0 -7.8 -59.9 -29.3 23.3 21.5 12.3 61 63 A N 4 S+ 0 0 79 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.938 109.5 46.4 -65.9 -49.7 18.3 22.2 4.6 64 66 A K T 34 S+ 0 0 113 1,-0.3 3,-0.3 -3,-0.1 -1,-0.2 0.879 120.6 41.3 -57.8 -39.1 21.5 20.4 3.8 65 67 A F T 3< S+ 0 0 5 -4,-2.2 -1,-0.3 -7,-0.3 -47,-0.2 -0.107 74.5 135.1-102.9 36.1 20.1 17.3 5.6 66 68 A R S < S+ 0 0 116 -3,-1.3 -48,-2.8 -48,-0.1 -47,-0.5 0.837 71.3 25.8 -57.9 -40.4 16.6 17.6 4.2 67 69 A T B > S-A 17 0A 2 -50,-0.3 4,-2.0 -3,-0.3 -50,-0.2 -0.783 81.7-113.6-120.7 165.7 16.3 13.9 3.3 68 70 A L H > S+ 0 0 1 -52,-2.2 4,-1.8 -2,-0.3 5,-0.2 0.882 120.4 55.7 -65.7 -35.9 17.9 10.7 4.6 69 71 A Q H > S+ 0 0 40 -53,-0.3 4,-2.9 1,-0.2 5,-0.3 0.923 103.3 54.6 -60.7 -44.5 19.6 10.4 1.2 70 72 A N H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.921 105.4 54.5 -54.4 -44.3 21.1 13.9 1.8 71 73 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.940 112.0 41.6 -55.2 -49.3 22.5 12.6 5.1 72 74 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.925 118.4 45.1 -66.7 -44.8 24.3 9.7 3.5 73 75 A E H X S+ 0 0 81 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.903 115.6 46.4 -69.6 -40.2 25.5 11.6 0.5 74 76 A V H X S+ 0 0 30 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.934 115.2 46.0 -64.8 -49.6 26.7 14.7 2.5 75 77 A E H X S+ 0 0 2 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.905 108.0 57.1 -63.5 -42.2 28.4 12.6 5.1 76 78 A K H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.907 114.3 40.2 -52.1 -40.5 30.1 10.4 2.4 77 79 A E H < S+ 0 0 165 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.898 116.0 50.1 -77.3 -39.5 31.6 13.7 1.0 78 80 A M H < S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.895 109.5 51.2 -68.4 -43.2 32.4 15.3 4.4 79 81 A Y S < S- 0 0 89 -4,-2.8 7,-0.0 1,-0.2 0, 0.0 -0.424 73.7-135.0 -92.8 168.2 34.2 12.4 5.9 80 82 A G > - 0 0 59 -2,-0.1 3,-1.3 0, 0.0 -1,-0.2 0.292 65.8 -36.8 -92.1-132.2 37.1 10.2 4.7 81 83 A A T 3 S+ 0 0 102 1,-0.3 4,-0.2 3,-0.1 -2,-0.0 0.577 121.3 77.5 -78.0 -11.0 37.5 6.5 4.8 82 84 A E T > S+ 0 0 140 2,-0.1 3,-1.7 3,-0.0 -1,-0.3 0.814 78.2 130.1 -64.7 -28.2 35.8 6.1 8.2 83 85 A W T < + 0 0 26 -3,-1.3 4,-0.1 1,-0.3 -7,-0.0 -0.455 59.9 26.0 -66.0 140.0 32.5 6.6 6.4 84 86 A P T 3 S+ 0 0 14 0, 0.0 2,-1.2 0, 0.0 -1,-0.3 -0.962 115.3 66.6 -88.3 8.0 29.9 4.8 6.6 85 87 A K S < S+ 0 0 105 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.2 -0.198 98.1 70.8 -84.2 46.3 31.0 3.8 10.1 86 88 A V S > S- 0 0 21 -2,-1.2 4,-2.1 -7,-0.0 3,-0.3 -0.970 86.0 -11.4-151.8 157.9 30.5 7.4 11.4 87 89 A G H > S- 0 0 14 -2,-0.3 4,-1.9 2,-0.2 3,-0.4 0.096 113.1 -19.8 59.9-150.5 27.9 10.0 12.2 88 90 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.791 132.3 64.6 -68.5 -29.7 24.2 9.9 11.4 89 91 A T H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.918 106.8 41.5 -58.1 -43.1 25.0 7.3 8.7 90 92 A L H X S+ 0 0 40 -4,-2.1 4,-1.7 -3,-0.4 5,-0.2 0.918 114.4 52.4 -71.8 -42.6 26.1 4.8 11.4 91 93 A A H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 113.2 43.0 -57.3 -49.1 23.3 5.8 13.7 92 94 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.816 105.9 63.8 -65.3 -35.2 20.7 5.2 10.9 93 95 A M H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.884 114.3 33.8 -53.7 -39.4 22.5 1.9 9.9 94 96 A W H >X S+ 0 0 35 -4,-1.7 4,-1.7 -3,-0.2 3,-0.6 0.862 113.8 58.2 -83.7 -38.7 21.7 0.6 13.3 95 97 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.890 100.5 57.6 -58.3 -42.6 18.3 2.3 13.7 96 98 A K H 3X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.845 103.3 53.7 -59.7 -32.6 16.9 0.7 10.6 97 99 A R H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.2 0.905 111.1 45.4 -68.1 -44.3 17.7 -2.8 12.1 98 100 A G H X S+ 0 0 7 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.893 113.1 50.0 -62.4 -41.1 15.7 -1.9 15.2 99 101 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 111.5 49.5 -65.8 -41.6 12.9 -0.5 13.1 100 102 A R H X S+ 0 0 36 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.875 106.7 55.3 -61.0 -42.3 12.9 -3.7 11.0 101 103 A F H X S+ 0 0 25 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.976 110.2 46.0 -51.0 -53.2 12.7 -5.8 14.2 102 104 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.912 113.4 50.5 -60.2 -44.8 9.6 -3.9 15.2 103 105 A Q H X S+ 0 0 17 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.933 113.5 42.2 -55.4 -52.5 8.1 -4.2 11.7 104 106 A V H X S+ 0 0 11 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 114.2 52.7 -68.4 -40.1 8.7 -8.0 11.4 105 107 A F H X S+ 0 0 3 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.957 114.6 41.3 -58.4 -55.5 7.5 -8.6 15.0 106 108 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.878 114.1 51.0 -62.1 -42.6 4.2 -6.7 14.4 107 109 A Q H X S+ 0 0 63 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.898 109.5 52.4 -61.8 -39.4 3.6 -8.1 11.0 108 110 A S H <>S+ 0 0 2 -4,-2.3 5,-2.3 2,-0.2 -2,-0.2 0.910 111.2 46.0 -62.3 -47.2 4.1 -11.6 12.4 109 111 A I H ><5S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.944 114.7 47.3 -61.5 -48.9 1.6 -11.0 15.2 110 112 A C H 3<5S+ 0 0 7 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.817 105.8 59.2 -61.6 -33.5 -0.9 -9.5 12.7 111 113 A D T 3<5S- 0 0 95 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.420 117.5-113.2 -77.1 2.1 -0.4 -12.4 10.2 112 114 A G T < 5 + 0 0 28 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.706 57.4 163.4 73.8 20.8 -1.6 -14.8 13.0 113 115 A E < + 0 0 58 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.551 14.9 141.4 -72.7 131.9 1.8 -16.5 13.4 114 116 A R - 0 0 122 -2,-0.3 2,-0.8 10,-0.1 8,-0.1 -0.987 59.7-100.3-164.1 159.4 2.0 -18.4 16.6 115 117 A D > - 0 0 68 3,-0.5 3,-0.6 -2,-0.3 6,-0.2 -0.839 32.6-149.9 -81.5 110.6 3.1 -21.5 18.5 116 118 A E T 3 S+ 0 0 128 -2,-0.8 -1,-0.1 1,-0.2 4,-0.0 0.757 96.7 55.3 -58.1 -24.2 -0.1 -23.5 18.6 117 119 A N T 3 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.843 124.7 22.2 -75.8 -34.3 1.1 -25.0 21.9 118 120 A H S X S+ 0 0 104 -3,-0.6 3,-1.5 1,-0.1 -3,-0.5 -0.625 73.0 163.7-129.2 73.6 1.5 -21.6 23.5 119 121 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.624 70.6 58.7 -75.3 -11.1 -0.7 -19.3 21.5 120 122 A N T 3 S+ 0 0 63 36,-0.1 36,-2.7 -5,-0.1 37,-0.3 0.272 90.8 85.4 -99.3 10.2 -0.8 -16.5 24.0 121 123 A L < - 0 0 53 -3,-1.5 -6,-0.2 34,-0.2 34,-0.1 -0.661 63.9-152.6 -98.0 163.6 3.0 -16.0 24.0 122 124 A I > + 0 0 2 32,-0.5 4,-2.5 -2,-0.2 5,-0.2 0.081 63.8 110.5-121.2 20.9 4.8 -13.8 21.5 123 125 A R H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 76.7 49.7 -63.0 -47.5 8.2 -15.7 21.6 124 126 A V H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 113.0 48.2 -59.6 -41.1 7.9 -17.1 18.1 125 127 A N H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 113.9 45.1 -67.4 -46.5 7.1 -13.7 16.7 126 128 A A H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.900 112.4 52.1 -64.6 -41.4 10.0 -12.0 18.5 127 129 A T H X S+ 0 0 43 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.936 109.6 49.0 -60.4 -45.4 12.4 -14.7 17.6 128 130 A K H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 112.8 48.1 -57.8 -49.8 11.5 -14.4 13.9 129 131 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.909 112.2 48.9 -58.9 -44.6 12.0 -10.7 14.1 130 132 A Y H X>S+ 0 0 8 -4,-2.9 5,-2.7 2,-0.2 4,-2.3 0.955 111.9 48.7 -59.7 -49.4 15.3 -11.0 15.8 131 133 A E H <5S+ 0 0 108 -4,-2.9 5,-0.4 1,-0.2 -2,-0.2 0.916 117.3 42.0 -56.8 -43.3 16.5 -13.6 13.3 132 134 A M H <5S+ 0 0 123 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.833 127.7 25.2 -77.0 -31.2 15.5 -11.4 10.3 133 135 A A H <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.786 132.8 2.0-105.1 -36.0 16.6 -8.0 11.6 134 136 A L T ><5S+ 0 0 29 -4,-2.3 3,-2.1 -5,-0.4 -3,-0.2 0.681 92.1 91.9-132.8 -29.3 19.5 -8.3 14.1 135 137 A K G > - 0 0 23 68,-3.0 4,-2.4 -2,-0.4 5,-0.2 -0.188 43.5 -90.9 -59.5 169.3 28.2 -12.2 18.5 140 142 A W H > S+ 0 0 182 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.766 123.9 56.9 -63.6 -27.9 27.2 -15.4 20.4 141 143 A I H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.963 110.2 43.2 -70.6 -49.9 27.2 -13.7 23.8 142 144 A V H > S+ 0 0 45 65,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.910 112.0 54.6 -60.9 -40.6 24.7 -11.0 22.8 143 145 A Q H X S+ 0 0 37 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.944 107.7 50.5 -58.8 -43.2 22.6 -13.7 21.0 144 146 A K H X S+ 0 0 113 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.880 107.7 53.7 -58.7 -40.0 22.6 -15.6 24.3 145 147 A I H X S+ 0 0 108 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.948 106.5 51.8 -63.9 -47.3 21.4 -12.5 26.1 146 148 A F H X S+ 0 0 42 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.892 106.7 52.9 -50.4 -47.4 18.5 -12.0 23.7 147 149 A Q H < S+ 0 0 84 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.915 113.2 44.9 -58.8 -43.0 17.3 -15.6 24.2 148 150 A A H >< S+ 0 0 64 -4,-1.8 3,-1.5 1,-0.2 4,-0.2 0.948 111.7 50.9 -64.2 -50.2 17.3 -15.0 27.9 149 151 A A H >< S+ 0 0 24 -4,-2.9 3,-2.5 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-8,-0.1 2,-0.1 -0.832 50.6-107.2-118.1 157.4 -11.3 -1.2 21.4 170 172 A T > - 0 0 84 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.353 32.0-111.4 -73.7 161.9 -11.4 -4.9 20.6 171 173 A E H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 120.9 56.8 -58.9 -39.5 -8.3 -6.9 19.9 172 174 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 108.8 45.1 -59.4 -42.7 -9.5 -7.2 16.2 173 175 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 110.5 54.3 -67.7 -41.4 -9.7 -3.4 16.0 174 176 A C H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.950 108.5 48.8 -54.5 -49.5 -6.3 -3.1 17.6 175 177 A L H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.858 107.3 56.2 -62.0 -37.2 -4.8 -5.4 15.0 176 178 A E H X S+ 0 0 101 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.924 108.1 47.5 -59.5 -41.9 -6.5 -3.4 12.2 177 179 A K H X S+ 0 0 73 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.872 110.9 51.4 -67.4 -38.0 -4.7 -0.2 13.4 178 180 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.927 108.4 52.0 -63.0 -44.7 -1.4 -2.0 13.6 179 181 A R H X S+ 0 0 87 -4,-2.6 4,-0.8 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-117,-0.1 -0.674 48.4-169.8 -88.5 134.0 25.9 -1.0 4.8 203 205 A L - 0 0 49 -2,-0.3 -2,-0.0 -119,-0.1 -3,-0.0 -0.895 14.0-153.6-118.5 151.1 28.5 -2.7 7.0 204 206 A N + 0 0 104 -2,-0.3 -2,-0.0 2,-0.0 -1,-0.0 0.163 41.6 138.5-113.9 21.4 28.1 -6.3 8.3 205 207 A Y - 0 0 66 1,-0.1 2,-0.3 -68,-0.0 -2,-0.1 -0.253 44.1-131.8 -72.2 154.4 30.2 -6.3 11.5 206 208 A K 0 0 118 -68,-0.1 -68,-0.3 0, 0.0 -69,-0.1 -0.705 360.0 360.0-100.8 153.4 29.1 -8.1 14.7 207 209 A V 0 0 106 -70,-1.7 -68,-3.0 -2,-0.3 -65,-0.3 -0.798 360.0 360.0-116.5 360.0 29.1 -6.6 18.2