==== 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 31-AUG-12 4GVT . COMPND 2 MOLECULE: GLYCOLIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.R.SAMYGINA,A.CABO-BILBAO,F.GONI-DE-CERIO,A.N.POPOV,L.MALIN . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 74.3 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 . 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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 51.5 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 2 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 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 4 A L > 0 0 23 0, 0.0 2,-1.0 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-154.5 40.9 -1.3 20.5 2 5 A A T 3 + 0 0 21 1,-0.2 3,-0.2 174,-0.2 161,-0.1 -0.062 360.0 41.3 52.6 -81.3 41.7 -2.5 24.1 3 6 A E T 3 S+ 0 0 114 -2,-1.0 2,-1.0 1,-0.2 -1,-0.2 0.910 110.8 43.8 -81.6 -51.5 45.4 -3.7 24.0 4 7 A H S < S- 0 0 112 -3,-0.9 2,-0.2 19,-0.1 -1,-0.2 -0.799 81.8-177.7-100.3 91.3 47.5 -1.2 21.9 5 8 A L - 0 0 70 -2,-1.0 2,-0.3 -3,-0.2 175,-0.0 -0.626 30.2-112.3 -93.6 145.3 46.2 2.2 23.3 6 9 A L - 0 0 24 -2,-0.2 177,-0.1 174,-0.2 181,-0.1 -0.601 36.9-123.9 -72.8 134.8 47.1 5.8 22.2 7 10 A K - 0 0 174 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.366 38.1 -84.9 -81.3 162.8 49.0 7.6 25.1 8 11 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 175,-0.0 -0.104 44.5 -97.7 -76.2 169.7 47.5 10.9 26.4 9 12 A L - 0 0 47 1,-0.1 2,-0.1 4,-0.1 6,-0.1 -0.371 37.1-140.7 -83.6 157.8 48.1 14.4 25.0 10 13 A P > - 0 0 69 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.295 35.7 -72.7-104.5-170.9 50.6 16.9 26.3 11 14 A A T 3 S+ 0 0 105 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.969 130.3 44.0 -37.9 -78.1 51.0 20.6 27.1 12 15 A D T 3 S- 0 0 87 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.562 102.4-135.0 -52.5 -14.2 51.3 21.7 23.4 13 16 A K < + 0 0 140 -3,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.714 52.1 151.3 57.5 27.4 48.4 19.4 22.6 14 17 A Q - 0 0 50 53,-0.0 2,-0.6 52,-0.0 -1,-0.2 -0.642 39.0-145.3 -86.5 141.8 50.4 18.2 19.5 15 18 A I - 0 0 20 -2,-0.3 52,-2.4 -3,-0.1 2,-0.3 -0.946 16.8-130.1-112.8 118.9 49.8 14.6 18.2 16 19 A E B > -A 66 0A 84 -2,-0.6 4,-1.8 50,-0.2 50,-0.3 -0.551 9.5-143.6 -74.3 130.8 52.9 12.9 16.8 17 20 A T H > S+ 0 0 0 48,-3.2 4,-3.0 -2,-0.3 5,-0.3 0.909 94.2 55.0 -62.4 -47.9 52.2 11.4 13.4 18 21 A G H > S+ 0 0 17 47,-0.6 4,-2.6 1,-0.2 5,-0.2 0.967 114.6 38.2 -51.3 -66.9 54.4 8.3 13.8 19 22 A P H > S+ 0 0 78 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.798 114.9 57.4 -49.8 -37.4 52.7 7.1 17.1 20 23 A F H X S+ 0 0 9 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.964 109.8 41.4 -63.8 -51.5 49.4 8.2 15.7 21 24 A L H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.957 111.9 53.9 -67.2 -49.2 49.5 6.1 12.7 22 25 A E H < S+ 0 0 120 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.864 114.8 46.5 -42.5 -41.9 51.0 3.0 14.5 23 26 A A H >< S+ 0 0 8 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.985 114.1 41.8 -65.9 -61.7 48.0 3.4 16.8 24 27 A V H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.3 -2,-0.2 0.758 97.3 76.4 -68.2 -25.8 45.2 3.9 14.3 25 28 A S T 3< S+ 0 0 54 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.601 89.3 60.4 -63.6 -10.4 46.5 1.2 12.0 26 29 A H T < S+ 0 0 62 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.618 88.2 77.0 -84.1 -12.5 45.1 -1.4 14.4 27 30 A L S < S+ 0 0 11 -3,-2.4 4,-0.2 -4,-0.2 -2,-0.2 0.708 74.4 68.8 -82.3 -21.6 41.6 -0.2 14.1 28 31 A P S >> S+ 0 0 6 0, 0.0 3,-3.1 0, 0.0 2,-0.6 0.925 84.8 72.6 -66.0 -44.8 40.3 -1.6 10.7 29 32 A P T 34 S+ 0 0 72 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.665 82.4 71.4 -58.9 117.9 40.3 -5.2 11.9 30 33 A F T 34 S+ 0 0 3 -2,-0.6 4,-0.2 -29,-0.0 5,-0.1 -0.245 82.5 69.5 144.0 -47.9 37.2 -4.4 14.0 31 34 A F T X>>S+ 0 0 14 -3,-3.1 3,-1.7 1,-0.2 4,-0.8 0.874 92.8 58.0 -67.1 -32.8 35.3 -4.3 10.8 32 35 A D G ><5S+ 0 0 94 -4,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.862 97.0 64.6 -60.6 -30.3 35.9 -8.0 10.8 33 36 A C G 345S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.604 88.3 63.5 -69.8 -14.1 34.1 -7.8 14.2 34 37 A L G <45S- 0 0 20 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.801 104.7-143.5 -72.4 -29.6 30.9 -6.7 12.4 35 38 A G T <<5 + 0 0 61 -4,-0.8 -3,-0.1 -3,-0.8 -2,-0.1 0.828 56.0 98.1 79.0 36.3 31.3 -10.2 10.9 36 39 A S S > S+ 0 0 107 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.676 101.3 78.9 -57.7 -29.4 31.5 -9.0 3.8 38 41 A V G 3 S+ 0 0 78 1,-0.2 4,-0.2 2,-0.1 110,-0.1 0.897 96.9 45.7 -42.5 -43.8 29.1 -6.1 3.6 39 42 A F G <> S+ 0 0 23 -3,-1.2 4,-1.4 1,-0.2 3,-0.4 0.418 85.2 95.4 -89.8 2.4 31.6 -4.2 5.7 40 43 A T H <> S+ 0 0 85 -3,-1.6 4,-1.5 1,-0.2 3,-0.2 0.943 82.7 50.2 -58.7 -50.9 34.8 -5.2 3.8 41 44 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.753 104.3 59.7 -65.3 -24.5 35.0 -2.1 1.5 42 45 A I H > S+ 0 0 79 -3,-0.4 4,-1.3 -4,-0.2 5,-0.2 0.953 105.9 47.1 -62.0 -51.0 34.6 0.3 4.5 43 46 A K H X S+ 0 0 58 -4,-1.4 4,-2.6 -3,-0.2 -1,-0.2 0.835 110.8 52.6 -56.1 -38.1 37.8 -1.1 6.1 44 47 A A H X S+ 0 0 57 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.916 105.7 56.2 -63.8 -43.7 39.5 -0.8 2.8 45 48 A V H X S+ 0 0 85 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.746 111.3 41.6 -60.6 -30.8 38.4 2.8 2.7 46 49 A I H X S+ 0 0 16 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.817 108.5 56.9 -89.6 -35.2 40.0 3.5 6.1 47 50 A S H X S+ 0 0 47 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.910 107.5 57.4 -54.4 -32.7 43.2 1.6 5.3 48 51 A G H X S+ 0 0 34 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.934 104.2 44.1 -66.5 -55.7 43.2 4.0 2.4 49 52 A N H X S+ 0 0 34 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.941 115.8 50.8 -50.2 -51.4 43.1 7.2 4.3 50 53 A I H X S+ 0 0 18 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.952 109.2 49.1 -58.9 -52.5 45.8 5.8 6.6 51 54 A T H X S+ 0 0 94 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.887 108.9 53.4 -50.8 -44.3 48.1 4.7 3.8 52 55 A K H X S+ 0 0 133 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.911 112.1 45.6 -64.7 -39.5 47.8 8.1 2.2 53 56 A I H >X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.7 0.974 111.5 50.1 -64.7 -52.5 48.9 9.7 5.4 54 57 A K H 3X S+ 0 0 106 -4,-3.2 4,-2.5 1,-0.3 -2,-0.2 0.850 104.5 62.2 -56.9 -34.7 51.7 7.3 6.0 55 58 A A H 3X S+ 0 0 52 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.3 0.926 108.6 39.4 -51.3 -52.6 52.9 8.0 2.5 56 59 A V H XX S+ 0 0 26 -4,-1.3 3,-0.6 -3,-0.7 4,-0.6 0.952 114.0 54.0 -66.7 -49.1 53.4 11.7 3.2 57 60 A Y H >< S+ 0 0 51 -4,-2.2 3,-1.4 1,-0.3 7,-0.3 0.889 106.7 52.2 -50.8 -48.5 54.9 11.0 6.7 58 61 A D H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.822 93.0 70.6 -64.1 -31.1 57.5 8.6 5.3 59 62 A T H << S- 0 0 107 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.757 132.4 -10.8 -56.7 -20.3 58.7 11.1 2.6 60 63 A N 4 S+ 0 0 78 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.968 109.4 50.6 -52.6 -57.0 60.9 15.0 10.9 63 66 A K T 34 S+ 0 0 118 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.828 122.5 33.8 -56.2 -35.4 59.2 17.6 8.5 64 67 A F T 3< S+ 0 0 13 -4,-1.8 -1,-0.3 -7,-0.3 -47,-0.2 -0.258 79.6 135.7-110.5 40.6 55.8 16.0 9.2 65 68 A R < + 0 0 112 -3,-2.0 -48,-3.2 -48,-0.1 -47,-0.6 0.901 69.2 34.4 -54.9 -48.8 56.5 15.0 12.9 66 69 A T B > S-A 16 0A 2 -50,-0.3 4,-1.3 -4,-0.2 -50,-0.2 -0.675 87.3-113.0-110.9 162.3 53.1 16.2 14.2 67 70 A L H > S+ 0 0 2 -52,-2.4 4,-1.8 -2,-0.2 3,-0.2 0.873 119.2 53.3 -65.9 -34.4 49.7 16.1 12.6 68 71 A Q H > S+ 0 0 51 -53,-0.2 4,-3.2 1,-0.2 5,-0.3 0.929 99.5 64.4 -63.3 -43.2 49.7 19.9 12.4 69 72 A N H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 104.3 46.7 -40.8 -50.4 53.0 19.7 10.7 70 73 A I H X S+ 0 0 1 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.976 111.3 48.7 -61.0 -56.8 51.3 18.0 7.8 71 74 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.905 116.1 44.3 -53.5 -42.9 48.3 20.4 7.6 72 75 A E H X S+ 0 0 82 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.864 113.7 47.9 -76.2 -35.8 50.6 23.4 7.6 73 76 A V H >X S+ 0 0 23 -4,-2.5 4,-2.5 -5,-0.3 3,-0.8 0.964 113.3 48.5 -63.8 -52.0 53.2 22.0 5.1 74 77 A E H 3X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.908 104.6 60.1 -58.9 -41.0 50.5 21.0 2.7 75 78 A K H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.3 7,-0.2 0.869 112.9 38.7 -51.1 -39.5 48.7 24.4 3.0 76 79 A E H << S+ 0 0 151 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.966 116.1 50.2 -75.6 -57.0 51.9 26.0 1.7 77 80 A M H < S+ 0 0 105 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.793 111.8 46.2 -45.6 -49.4 52.8 23.4 -0.9 78 81 A Y S < S- 0 0 77 -4,-2.5 7,-0.0 1,-0.2 0, 0.0 -0.599 84.9-130.1 -98.4 164.1 49.4 23.1 -2.6 79 82 A G - 0 0 56 -2,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.671 66.4 -39.3 -85.1-123.9 47.5 26.3 -3.6 80 83 A A S S+ 0 0 110 1,-0.2 4,-0.2 3,-0.0 -1,-0.1 0.066 122.8 89.9 -75.7 10.8 43.8 27.1 -2.9 81 84 A E S > S+ 0 0 123 -6,-0.1 3,-1.0 2,-0.1 -1,-0.2 0.742 74.2 124.6 -73.0 -29.1 43.5 23.4 -3.7 82 85 A W T 3 + 0 0 23 -3,-0.5 4,-0.1 1,-0.3 -7,-0.0 -0.484 59.1 22.4 -79.5 146.1 44.1 22.9 0.0 83 86 A P T 3 S+ 0 0 17 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 -0.985 115.0 71.1 -82.9 4.5 42.6 21.5 2.3 84 87 A K S < S+ 0 0 124 -3,-1.0 2,-0.3 -4,-0.2 -2,-0.2 -0.178 96.9 63.0 -83.7 45.7 41.0 19.4 -0.5 85 88 A V S > S- 0 0 10 -2,-1.6 4,-2.6 -7,-0.0 5,-0.2 -0.937 85.9 -4.4-146.7 167.3 44.3 17.6 -1.1 86 89 A G H > S- 0 0 14 -2,-0.3 4,-1.5 2,-0.2 3,-0.2 0.167 111.2 -22.3 64.6-154.5 46.9 15.3 0.3 87 90 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.801 130.5 67.3 -65.1 -29.1 47.2 13.9 3.7 88 91 A T H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.939 105.0 41.8 -61.4 -41.0 45.0 16.8 4.9 89 92 A L H X S+ 0 0 45 -4,-2.6 4,-1.7 -3,-0.2 -1,-0.2 0.853 115.2 52.2 -70.8 -35.8 42.0 15.4 3.0 90 93 A A H >X S+ 0 0 7 -4,-1.5 4,-3.3 2,-0.2 3,-0.7 0.991 112.3 42.6 -62.9 -58.6 42.9 11.9 4.2 91 94 A L H 3X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.808 109.5 62.5 -56.2 -30.1 43.1 12.7 7.9 92 95 A M H 3< S+ 0 0 1 -4,-1.3 4,-0.4 -5,-0.4 -1,-0.3 0.922 112.2 33.7 -63.7 -44.3 40.0 14.8 7.3 93 96 A W H XX S+ 0 0 57 -4,-1.7 4,-1.4 -3,-0.7 3,-1.2 0.897 116.4 56.1 -75.7 -43.2 38.0 11.8 6.3 94 97 A L H 3X S+ 0 0 1 -4,-3.3 4,-2.8 1,-0.3 3,-0.5 0.909 100.9 57.8 -55.5 -45.5 39.8 9.4 8.7 95 98 A K H 3X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.3 -1,-0.3 0.768 105.1 52.9 -58.3 -25.6 39.0 11.5 11.7 96 99 A R H <> S+ 0 0 2 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.3 0.825 107.8 49.6 -79.2 -32.2 35.4 11.1 10.8 97 100 A G H X S+ 0 0 12 -4,-1.4 4,-2.6 -3,-0.5 -2,-0.2 0.942 111.9 48.3 -66.4 -44.8 35.8 7.3 10.8 98 101 A L H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.899 110.8 51.7 -63.4 -38.6 37.5 7.4 14.1 99 102 A R H X S+ 0 0 43 -4,-1.7 4,-3.0 -5,-0.3 5,-0.3 0.855 107.7 51.2 -67.0 -36.8 34.8 9.6 15.5 100 103 A F H X S+ 0 0 30 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.987 111.9 46.9 -60.8 -56.2 32.1 7.2 14.2 101 104 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.919 113.4 51.8 -45.6 -49.2 33.9 4.4 15.9 102 105 A Q H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.934 112.2 41.5 -59.3 -55.9 34.2 6.6 19.0 103 106 A V H X S+ 0 0 19 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.907 113.1 57.2 -58.1 -44.3 30.5 7.6 19.3 104 107 A F H X S+ 0 0 6 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.936 110.6 39.5 -50.7 -57.0 29.4 4.0 18.5 105 108 A L H X S+ 0 0 2 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.921 114.3 55.2 -67.5 -42.0 31.3 2.3 21.3 106 109 A Q H X S+ 0 0 54 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.969 107.9 49.4 -50.1 -54.9 30.4 5.1 23.7 107 110 A S H X>S+ 0 0 2 -4,-3.2 5,-1.5 1,-0.2 4,-0.7 0.837 113.2 46.8 -55.5 -37.3 26.8 4.5 22.8 108 111 A I H ><5S+ 0 0 9 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.947 111.3 48.8 -76.2 -47.3 27.2 0.8 23.5 109 112 A C H 3<5S+ 0 0 8 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.690 108.5 58.0 -58.4 -23.4 29.1 1.1 26.8 110 113 A D H 3<5S- 0 0 90 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.666 111.5-119.3 -87.5 -17.4 26.4 3.5 27.9 111 114 A G T <<5 + 0 0 39 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.629 54.7 157.5 88.3 14.5 23.6 1.1 27.5 112 115 A E < + 0 0 68 -5,-1.5 -1,-0.3 -6,-0.2 2,-0.3 -0.629 22.2 146.4 -63.2 120.2 21.7 3.2 24.9 113 116 A R - 0 0 133 -2,-0.5 2,-0.6 -3,-0.1 8,-0.1 -0.957 56.4 -93.6-150.3 166.1 19.6 0.5 23.2 114 117 A D - 0 0 63 3,-0.8 6,-0.2 6,-0.3 8,-0.0 -0.785 28.9-143.1 -85.3 127.4 16.3 0.1 21.6 115 118 A E S S+ 0 0 140 -2,-0.6 -1,-0.2 1,-0.1 0, 0.0 0.953 100.8 42.3 -54.6 -52.6 13.8 -1.2 24.2 116 119 A N S S+ 0 0 135 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.987 128.6 27.0 -53.3 -74.2 12.1 -3.4 21.5 117 120 A H S > S+ 0 0 104 1,-0.2 -3,-0.8 2,-0.1 3,-0.5 -0.709 76.7 163.0 -95.9 89.3 15.2 -4.7 19.8 118 121 A P T 3 + 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.505 69.7 48.5 -96.5 -7.9 17.8 -4.5 22.7 119 122 A N T 3 S+ 0 0 60 36,-0.1 36,-2.9 -6,-0.1 2,-0.2 0.246 91.8 93.4-113.2 6.1 20.5 -6.8 21.4 120 123 A L B < -B 154 0B 37 -3,-0.5 -6,-0.3 34,-0.2 34,-0.2 -0.611 63.3-153.8 -84.1 159.9 20.6 -5.1 18.0 121 124 A I > + 0 0 4 32,-0.6 4,-2.3 -2,-0.2 5,-0.2 0.074 65.0 106.7-120.8 20.8 23.1 -2.4 17.5 122 125 A R H > S+ 0 0 61 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.910 80.9 51.3 -66.0 -43.6 21.3 -0.4 14.7 123 126 A V H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 112.3 47.0 -60.3 -38.7 20.4 2.3 17.1 124 127 A N H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.842 114.5 46.9 -73.4 -34.6 24.0 2.6 18.2 125 128 A A H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.910 112.3 50.0 -70.6 -44.7 25.2 2.6 14.6 126 129 A T H X S+ 0 0 26 -4,-3.4 4,-3.0 2,-0.2 -2,-0.2 0.907 107.5 51.9 -62.2 -45.4 22.6 5.2 13.6 127 130 A K H X S+ 0 0 86 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.945 112.1 49.1 -54.1 -50.9 23.5 7.6 16.4 128 131 A A H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.5 0.943 111.1 48.3 -45.2 -59.6 27.1 7.3 15.3 129 132 A Y H X>S+ 0 0 12 -4,-2.8 5,-2.7 1,-0.2 4,-2.6 0.940 112.2 50.8 -49.8 -49.2 26.2 7.9 11.6 130 133 A E H <5S+ 0 0 84 -4,-3.0 5,-0.4 1,-0.2 -1,-0.2 0.861 116.8 37.0 -65.6 -38.6 24.2 10.9 12.5 131 134 A M H <5S+ 0 0 114 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 129.6 29.0 -77.7 -38.8 26.9 12.6 14.7 132 135 A A H <5S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.855 133.6 1.9 -95.7 -40.4 29.9 11.6 12.6 133 136 A L T ><5S+ 0 0 29 -4,-2.6 3,-1.1 -5,-0.5 4,-0.3 0.652 94.0 90.8-129.0 -26.1 29.0 11.3 8.9 134 137 A K G > > - 0 0 33 -2,-0.4 4,-1.1 68,-0.2 3,-0.5 -0.460 43.2 -92.9 -85.5 161.3 23.6 12.3 0.3 139 142 A W H 3> S+ 0 0 183 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.673 118.8 60.6 -46.1 -34.4 20.5 10.2 0.7 140 143 A I H 3> S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.987 103.2 47.5 -63.5 -58.0 21.8 7.3 -1.3 141 144 A V H <> S+ 0 0 58 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.799 113.2 52.8 -54.4 -24.3 24.8 6.6 1.0 142 145 A Q H X S+ 0 0 43 -4,-1.1 4,-3.0 2,-0.2 5,-0.3 0.974 106.6 49.3 -77.9 -52.0 22.3 6.8 3.9 143 146 A K H X S+ 0 0 149 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.955 112.9 50.2 -42.4 -59.4 19.9 4.3 2.3 144 147 A I H X S+ 0 0 109 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.925 110.1 49.6 -44.6 -55.1 23.0 2.0 1.8 145 148 A F H X S+ 0 0 29 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.920 109.7 49.6 -58.1 -45.5 24.0 2.5 5.4 146 149 A Q H >< S+ 0 0 96 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.939 112.3 49.6 -57.6 -43.6 20.6 1.7 6.8 147 150 A A H >< S+ 0 0 66 -4,-2.8 3,-0.9 -5,-0.3 4,-0.4 0.825 105.4 57.0 -66.9 -31.3 20.6 -1.4 4.6 148 151 A A H >< S+ 0 0 19 -4,-2.5 3,-1.6 1,-0.2 4,-0.4 0.794 91.0 73.5 -66.0 -28.4 24.1 -2.4 5.9 149 152 A L G X< S+ 0 0 6 -4,-1.4 3,-0.6 -3,-0.6 -1,-0.2 0.737 86.5 63.2 -61.9 -22.8 22.7 -2.4 9.4 150 153 A Y G < S+ 0 0 176 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.796 101.6 50.4 -69.9 -30.3 20.9 -5.6 8.6 151 154 A A G < S+ 0 0 29 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.495 90.1 106.8 -84.6 -4.3 24.3 -7.3 8.1 152 155 A A S < S- 0 0 14 -3,-0.6 -118,-0.1 -4,-0.4 -117,-0.1 -0.402 72.5-118.9 -69.3 154.6 25.4 -5.9 11.5 153 156 A P - 0 0 21 0, 0.0 -32,-0.6 0, 0.0 2,-0.3 -0.118 29.3 -87.6 -79.7-179.3 25.6 -8.4 14.3 154 157 A Y B > -B 120 0B 142 -34,-0.2 4,-2.3 1,-0.1 -34,-0.2 -0.656 46.9-109.8 -81.1 155.0 23.8 -8.7 17.6 155 158 A K H > S+ 0 0 26 -36,-2.9 4,-1.9 -2,-0.3 5,-0.2 0.929 114.7 52.6 -52.3 -56.2 25.6 -6.7 20.3 156 159 A S H > S+ 0 0 36 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.835 109.7 48.6 -57.2 -40.2 26.8 -9.7 22.3 157 160 A D H > S+ 0 0 83 -3,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.935 107.8 57.0 -59.8 -47.6 28.4 -11.3 19.3 158 161 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 107.5 47.5 -49.7 -41.8 30.0 -8.0 18.5 159 162 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.895 106.2 55.0 -76.3 -37.0 31.7 -7.9 21.9 160 163 A K H < S+ 0 0 133 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.866 111.1 50.1 -54.6 -36.8 33.0 -11.5 21.8 161 164 A A H >< S+ 0 0 33 -4,-1.8 3,-1.7 2,-0.2 -2,-0.2 0.974 108.1 48.5 -71.0 -54.0 34.6 -10.5 18.6 162 165 A L H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 121.4 38.1 -51.3 -37.9 36.2 -7.4 19.9 163 166 A S T >< S+ 0 0 13 -4,-2.2 3,-3.1 -5,-0.1 4,-0.3 0.394 82.5 142.1 -96.3 1.5 37.6 -9.4 22.8 164 167 A K T < S+ 0 0 151 -3,-1.7 -3,-0.1 -4,-0.3 -4,-0.0 -0.201 70.5 29.0 -54.6 123.8 38.3 -12.5 20.8 165 168 A G T 3 S+ 0 0 77 -5,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.177 106.1 78.9 117.4 -35.3 41.6 -13.9 22.3 166 169 A Q S < S- 0 0 80 -3,-3.1 -2,-0.1 2,-0.1 -3,-0.0 0.684 77.0-142.0 -92.9 -19.9 41.1 -12.5 25.8 167 170 A N + 0 0 164 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.895 48.7 140.7 60.4 46.9 38.7 -14.8 27.8 168 171 A V - 0 0 48 -5,-0.2 -1,-0.2 -8,-0.1 2,-0.1 -0.811 57.8 -99.0-114.1 154.0 36.8 -12.0 29.7 169 172 A T > - 0 0 68 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.443 36.1-112.8 -70.1 147.3 33.1 -11.7 30.6 170 173 A E H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 122.1 53.2 -42.8 -44.9 31.1 -9.4 28.3 171 174 A E H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.975 108.0 49.0 -58.9 -55.8 30.8 -7.1 31.3 172 175 A E H > S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.789 111.6 51.8 -48.4 -36.6 34.6 -7.1 31.9 173 176 A C H X S+ 0 0 8 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.885 100.8 55.4 -79.8 -43.6 35.1 -6.3 28.2 174 177 A L H X S+ 0 0 27 -4,-2.4 4,-2.4 -3,-0.3 -1,-0.2 0.920 106.8 57.3 -48.9 -41.8 32.8 -3.3 28.0 175 178 A E H X S+ 0 0 91 -4,-1.7 4,-1.5 1,-0.3 -2,-0.2 0.887 102.9 51.3 -60.3 -41.9 35.0 -2.0 30.8 176 179 A K H X S+ 0 0 108 -4,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.860 108.7 52.8 -59.6 -34.5 38.1 -2.4 28.7 177 180 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.950 103.6 55.5 -70.0 -42.0 36.3 -0.4 26.0 178 181 A R H X S+ 0 0 78 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.875 109.5 46.7 -56.2 -41.0 35.5 2.5 28.3 179 182 A L H >X S+ 0 0 93 -4,-1.5 3,-0.9 1,-0.2 4,-0.6 0.902 110.4 51.8 -69.2 -42.6 39.1 2.9 29.2 180 183 A F H 3X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 3,-0.3 0.932 105.3 59.5 -50.8 -44.8 40.1 2.7 25.5 181 184 A L H 3X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.632 89.8 73.2 -64.7 -21.0 37.5 5.4 25.0 182 185 A V H S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.3 6,-1.1 0.873 112.1 46.4 -51.3 -39.5 41.0 21.2 11.7 196 199 A T H <5S+ 0 0 99 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.910 115.2 47.3 -66.1 -40.5 38.6 24.0 12.9 197 200 A Q H <5S+ 0 0 149 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.6 41.3 -71.2 -45.9 41.6 26.2 14.0 198 201 A M H <5S- 0 0 30 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.515 111.2-122.9 -79.9 -9.4 43.6 25.7 10.8 199 202 A N T <5S+ 0 0 125 -4,-0.5 -3,-0.2 -5,-0.4 -4,-0.1 0.927 70.6 132.7 70.2 43.3 40.5 26.1 8.9 200 203 A A < + 0 0 0 -5,-2.8 2,-0.2 -6,-0.2 -4,-0.2 0.460 33.2 109.7-103.3 -9.5 40.9 22.7 7.1 201 204 A E - 0 0 31 -6,-1.1 2,-0.5 -9,-0.1 -112,-0.0 -0.503 54.5-152.9 -69.7 139.6 37.4 21.3 7.6 202 205 A L - 0 0 33 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.969 8.2-171.3-106.1 121.2 35.1 21.0 4.6 203 206 A N + 0 0 120 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.519 52.7 93.3 -92.8 -4.6 31.4 21.3 5.7 204 207 A Y S S- 0 0 118 1,-0.1 2,-0.1 -68,-0.1 -2,-0.1 -0.558 84.2 -91.4 -94.2 158.8 29.7 20.3 2.5 205 208 A K 0 0 105 -2,-0.2 -68,-0.2 1,-0.1 -69,-0.1 -0.390 360.0 360.0 -67.2 128.8 28.5 17.0 1.2 206 209 A V 0 0 138 -70,-1.7 -68,-0.2 -2,-0.1 -1,-0.1 -0.242 360.0 360.0 -41.1 360.0 31.0 14.9 -0.8