==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ODORANT-BINDING PROTEIN 16-MAY-12 4F7F . COMPND 2 MOLECULE: AGAP005208-PA; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR D.N.JONES,B.P ZIEMBA . 476 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 75.8 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 . 12 2.5 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 . 4 0.8 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 . 22 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 3 1 0 0 0 4 0 6 3 3 0 0 0 4 0 0 0 0 0 0 0 0 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T > 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 173.7 54.5 46.8 70.6 2 3 A V H > + 0 0 96 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 360.0 44.6 -61.8 -48.8 56.5 49.4 72.5 3 4 A E H > S+ 0 0 168 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.938 116.1 45.7 -65.1 -46.7 56.6 47.4 75.7 4 5 A Q H > S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.906 111.8 52.8 -61.4 -42.5 57.5 44.1 74.0 5 6 A M H X S+ 0 0 25 -4,-2.4 4,-2.5 67,-0.3 5,-0.2 0.937 112.0 45.6 -58.9 -43.5 60.1 45.8 71.8 6 7 A M H X S+ 0 0 89 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 114.1 47.9 -69.1 -42.6 61.7 47.3 74.9 7 8 A K H X S+ 0 0 85 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.930 115.7 44.1 -60.2 -48.0 61.6 44.1 76.9 8 9 A S H X S+ 0 0 16 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.908 114.4 48.7 -63.5 -44.1 63.1 42.0 74.0 9 10 A G H X S+ 0 0 19 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.892 110.5 51.3 -66.0 -39.1 65.7 44.6 73.1 10 11 A E H X S+ 0 0 121 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.901 113.7 44.2 -65.9 -39.2 66.8 44.9 76.7 11 12 A M H X S+ 0 0 35 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.932 114.0 48.8 -72.5 -45.0 67.2 41.1 77.1 12 13 A I H X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.923 109.4 53.5 -62.7 -43.9 68.9 40.6 73.8 13 14 A R H X S+ 0 0 35 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.953 109.6 46.9 -53.5 -50.4 71.4 43.4 74.5 14 15 A S H X S+ 0 0 57 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.902 114.4 47.2 -66.8 -35.5 72.4 41.9 77.9 15 16 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.939 116.5 41.9 -64.8 -48.7 72.8 38.4 76.4 16 17 A a H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 6,-0.3 0.832 111.2 56.9 -74.4 -30.8 74.9 39.5 73.4 17 18 A L H X>S+ 0 0 31 -4,-2.8 4,-0.9 -5,-0.3 5,-0.6 0.937 112.0 43.6 -57.5 -48.0 76.9 42.0 75.5 18 19 A G H <5S+ 0 0 34 -4,-1.8 3,-0.3 -5,-0.3 -2,-0.2 0.912 115.2 47.1 -68.3 -42.8 77.9 39.1 77.7 19 20 A K H <5S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.4 39.8 -68.1 -38.6 78.6 36.6 74.9 20 21 A T H <5S- 0 0 16 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.500 91.9-134.9 -97.4 -5.8 80.7 38.8 72.6 21 22 A K T <5 + 0 0 177 -4,-0.9 2,-0.2 -3,-0.3 -3,-0.1 0.816 48.7 160.5 54.2 35.7 82.8 40.6 75.2 22 23 A V < - 0 0 14 -5,-0.6 2,-0.4 -6,-0.3 -1,-0.2 -0.545 48.2-103.2 -85.7 150.6 82.2 43.9 73.4 23 24 A A >> - 0 0 40 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.615 23.9-139.7 -72.1 126.6 82.6 47.3 75.0 24 25 A E H 3> S+ 0 0 88 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.827 100.8 60.4 -60.7 -31.9 79.1 48.7 75.8 25 26 A E H 3> S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.875 104.4 50.7 -62.5 -31.1 80.1 52.2 74.7 26 27 A L H <> S+ 0 0 63 -3,-1.0 4,-0.6 2,-0.2 -1,-0.2 0.862 107.5 52.9 -73.4 -35.7 80.8 50.8 71.2 27 28 A V H >< S+ 0 0 1 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.911 106.7 52.4 -62.7 -42.4 77.3 49.2 71.2 28 29 A N H >< S+ 0 0 67 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.849 100.4 64.4 -60.7 -31.2 75.8 52.5 72.0 29 30 A G H ><>S+ 0 0 7 -4,-1.2 3,-2.3 1,-0.3 5,-1.9 0.740 82.9 77.0 -65.7 -21.9 77.6 54.0 69.1 30 31 A L T <<5S+ 0 0 1 -3,-1.2 3,-0.5 -4,-0.6 -1,-0.3 0.665 90.6 54.5 -65.1 -18.6 75.7 51.8 66.7 31 32 A R T < 5S+ 0 0 125 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.390 105.9 55.3 -91.1 2.1 72.7 54.1 67.0 32 33 A E T < 5S- 0 0 122 -3,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.113 117.8-106.4-118.9 19.6 74.9 57.0 66.0 33 34 A S T 5S+ 0 0 81 -3,-0.5 2,-0.7 1,-0.2 -3,-0.2 0.834 74.0 142.3 52.3 33.8 76.2 55.6 62.7 34 35 A K < + 0 0 134 -5,-1.9 2,-0.2 -8,-0.1 -1,-0.2 -0.924 19.9 169.8-100.0 112.4 79.5 54.9 64.3 35 36 A F - 0 0 45 -2,-0.7 -1,-0.0 -3,-0.1 -5,-0.0 -0.510 7.8-178.5-125.0 65.5 80.6 51.6 62.8 36 37 A A - 0 0 52 -2,-0.2 2,-2.0 1,-0.1 6,-0.1 -0.260 40.5-108.2 -67.0 154.3 84.2 51.0 63.7 37 38 A D + 0 0 131 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 -0.551 65.0 147.2 -85.1 75.5 85.9 47.9 62.4 38 39 A V >> - 0 0 38 -2,-2.0 4,-2.5 1,-0.1 3,-0.6 -0.965 45.2-146.1-118.8 118.2 85.9 46.1 65.8 39 40 A K H 3> S+ 0 0 148 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.852 99.1 50.6 -51.2 -47.8 85.6 42.3 65.8 40 41 A E H 3> S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.847 111.8 49.4 -63.6 -34.7 83.7 42.2 69.1 41 42 A L H <> S+ 0 0 3 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.903 109.6 50.1 -69.5 -43.7 81.2 44.8 67.8 42 43 A K H X S+ 0 0 31 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 113.6 47.3 -58.4 -40.6 80.7 43.0 64.5 43 44 A b H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.835 106.2 56.8 -76.0 -31.0 80.0 39.8 66.5 44 45 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.941 108.7 48.1 -57.5 -47.9 77.7 41.7 68.9 45 46 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 110.5 51.0 -60.9 -44.3 75.6 42.6 65.8 46 47 A N H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 108.8 51.7 -58.8 -43.2 75.7 39.0 64.6 47 48 A a H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.930 108.9 50.6 -59.7 -45.3 74.4 37.8 68.0 48 49 A V H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.940 111.4 47.3 -57.4 -48.8 71.5 40.3 67.9 49 50 A M H <>S+ 0 0 8 -4,-2.4 5,-2.7 1,-0.2 6,-1.2 0.845 111.6 51.1 -64.4 -33.3 70.5 39.2 64.4 50 51 A E H ><5S+ 0 0 11 -4,-2.3 3,-1.6 3,-0.2 -1,-0.2 0.909 108.4 50.9 -69.2 -40.8 70.7 35.5 65.4 51 52 A M H 3<5S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.777 112.6 48.2 -65.6 -23.3 68.5 36.1 68.5 52 53 A M T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.299 113.0-120.9 -96.7 6.7 66.0 37.8 66.2 53 54 A Q T < 5S+ 0 0 59 -3,-1.6 -3,-0.2 2,-0.2 8,-0.1 0.674 80.8 119.7 62.4 20.9 66.1 34.9 63.7 54 55 A T S S-A 59 0A 93 3,-2.0 3,-1.1 -2,-0.4 -6,-0.0 -0.969 80.1 -10.6-139.7 118.2 71.5 32.0 60.7 57 58 A K T 3 S- 0 0 121 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.877 131.3 -53.2 57.0 39.6 75.0 30.9 60.0 58 59 A G T 3 S+ 0 0 4 1,-0.2 2,-0.4 -12,-0.1 -1,-0.2 0.547 115.1 109.7 79.3 9.3 75.8 34.3 58.5 59 60 A K E < -A 56 0A 128 -3,-1.1 -3,-2.0 34,-0.1 -1,-0.2 -0.944 69.4-115.4-121.2 136.1 73.0 34.4 56.0 60 61 A L E -A 55 0A 35 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.3 -0.474 15.6-156.3 -64.8 134.3 69.8 36.5 56.0 61 62 A N > - 0 0 76 -7,-2.4 4,-1.9 1,-0.2 5,-0.2 -0.936 12.7-171.7-104.4 100.3 66.5 34.7 56.4 62 63 A Y H > S+ 0 0 44 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.948 77.6 45.1 -63.8 -54.2 64.1 37.2 54.9 63 64 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 116.5 45.6 -55.0 -45.0 60.7 35.7 55.7 64 65 A A H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.845 111.7 54.1 -68.6 -34.3 61.6 35.0 59.4 65 66 A S H X S+ 0 0 3 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.953 109.6 45.3 -66.1 -47.4 63.1 38.4 59.7 66 67 A V H X S+ 0 0 24 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.894 111.3 54.2 -61.7 -41.1 60.0 40.1 58.5 67 68 A K H X S+ 0 0 96 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.920 112.7 43.3 -58.3 -46.9 57.9 37.8 60.8 68 69 A Q H X S+ 0 0 33 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.927 111.7 53.4 -64.2 -46.5 60.0 38.9 63.8 69 70 A I H X S+ 0 0 13 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.958 113.4 43.5 -52.8 -54.4 60.0 42.6 62.7 70 71 A D H < S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 115.7 49.2 -61.6 -29.4 56.2 42.5 62.6 71 72 A T H < S+ 0 0 54 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.843 122.1 29.5 -80.7 -31.1 56.0 40.6 65.9 72 73 A I H < S+ 0 0 15 -4,-2.5 -67,-0.3 -3,-0.2 -2,-0.2 0.863 108.1 65.3 -98.2 -42.8 58.3 42.8 67.9 73 74 A M S < S- 0 0 20 -4,-2.5 2,-0.1 -5,-0.4 -71,-0.1 -0.552 79.2-114.6 -91.3 147.0 58.1 46.3 66.6 74 75 A P >> - 0 0 22 0, 0.0 3,-2.4 0, 0.0 4,-2.4 -0.516 41.1-104.3 -69.7 150.2 55.2 48.8 66.6 75 76 A D H 3> S+ 0 0 129 1,-0.3 4,-2.4 2,-0.2 -2,-0.1 0.798 118.0 66.0 -40.6 -42.4 54.0 49.6 63.0 76 77 A E H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 39,-0.0 0.776 115.8 26.7 -59.5 -28.8 55.7 52.9 63.1 77 78 A L H <> S+ 0 0 32 -3,-2.4 4,-2.1 2,-0.1 -1,-0.2 0.744 117.0 60.0-100.7 -34.1 59.2 51.3 63.3 78 79 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.888 101.0 54.7 -61.7 -42.2 58.4 48.0 61.5 79 80 A G H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.951 111.6 42.0 -63.4 -53.1 57.3 49.6 58.3 80 81 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 114.7 53.5 -59.8 -37.2 60.5 51.6 57.8 81 82 A M H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 109.5 47.2 -66.7 -41.2 62.6 48.6 58.9 82 83 A R H X S+ 0 0 82 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.925 110.3 52.3 -65.2 -39.8 60.9 46.3 56.4 83 84 A A H X S+ 0 0 53 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.912 111.6 46.8 -63.9 -38.1 61.4 48.8 53.6 84 85 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.873 107.9 55.6 -67.9 -38.2 65.1 49.0 54.5 85 86 A L H X S+ 0 0 3 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.897 106.2 53.0 -62.7 -37.4 65.4 45.2 54.6 86 87 A D H >< S+ 0 0 86 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.944 110.9 44.4 -60.3 -47.7 64.0 45.1 51.0 87 88 A I H 3< S+ 0 0 108 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.873 123.3 38.7 -62.7 -35.1 66.6 47.6 49.7 88 89 A c H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.281 79.7 115.3 -98.1 5.4 69.3 45.7 51.7 89 90 A R T << S+ 0 0 119 -3,-0.9 3,-0.2 -4,-0.6 -1,-0.2 0.794 87.1 29.0 -56.8 -37.4 68.1 42.1 51.1 90 91 A T T > S+ 0 0 100 -3,-0.3 3,-1.4 -4,-0.2 -1,-0.3 0.361 88.9 103.8-100.2 5.5 71.2 41.0 49.1 91 92 A V T < S+ 0 0 61 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.753 87.1 38.3 -67.7 -25.2 73.9 43.2 50.5 92 93 A A T > S+ 0 0 8 -4,-0.4 3,-1.8 -3,-0.2 -1,-0.3 0.362 83.7 132.7-105.9 3.5 75.6 40.6 52.7 93 94 A D T < S+ 0 0 101 -3,-1.4 3,-0.1 1,-0.3 -34,-0.1 -0.303 73.4 14.2 -62.7 139.0 75.3 37.7 50.3 94 95 A G T 3 S+ 0 0 76 1,-0.3 2,-0.6 2,-0.1 -1,-0.3 0.420 84.9 134.2 79.2 -3.4 78.4 35.6 49.8 95 96 A I < - 0 0 49 -3,-1.8 -1,-0.3 -37,-0.2 6,-0.1 -0.738 41.2-161.1 -80.2 119.6 80.3 37.2 52.8 96 97 A K + 0 0 189 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.935 65.9 78.2 -74.4 -48.6 81.7 34.1 54.5 97 98 A N S > S- 0 0 84 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.464 71.9-147.7 -64.9 121.4 82.5 35.5 58.0 98 99 A N H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.899 95.6 47.7 -60.4 -43.2 79.2 35.6 59.9 99 100 A b H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 113.8 48.7 -67.1 -34.6 80.0 38.6 62.0 100 101 A D H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.0 51.9 -71.3 -38.9 81.2 40.5 59.0 101 102 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 110.1 48.4 -63.8 -45.2 78.0 39.5 57.1 102 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.908 110.9 50.8 -62.3 -42.8 75.8 40.8 59.9 103 104 A Y H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.883 107.7 51.5 -63.4 -42.4 77.7 44.1 60.1 104 105 A V H X S+ 0 0 47 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.925 111.8 48.1 -59.2 -47.0 77.5 44.8 56.4 105 106 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.912 111.0 51.6 -57.5 -42.8 73.7 44.2 56.6 106 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.904 107.1 52.3 -63.1 -42.2 73.4 46.5 59.7 107 108 A Q H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.898 110.6 48.1 -63.6 -37.6 75.3 49.3 58.0 108 109 A c H X S+ 0 0 14 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.907 110.7 50.9 -68.1 -41.4 72.9 49.1 55.0 109 110 A L H X S+ 0 0 15 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.942 111.5 47.3 -63.4 -45.2 69.8 49.1 57.2 110 111 A S H >< S+ 0 0 21 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.908 111.3 51.3 -59.8 -44.5 71.0 52.1 59.2 111 112 A K H 3< S+ 0 0 158 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.761 118.8 37.8 -64.5 -22.9 71.8 53.9 55.9 112 113 A N H 3< S+ 0 0 41 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.322 102.2 75.6-116.5 7.1 68.3 53.2 54.5 113 114 A N X< - 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0 0 63 -7,-2.6 4,-1.8 1,-0.2 5,-0.2 -0.914 14.5-169.8-103.0 102.5 62.2 16.6 86.9 182 63 B Y H > S+ 0 0 49 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.948 78.8 44.8 -61.2 -54.4 64.4 19.0 89.0 183 64 B D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 114.3 49.2 -60.0 -41.9 67.9 17.6 88.2 184 65 B A H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 112.5 49.0 -64.9 -35.7 67.1 17.3 84.4 185 66 B S H X S+ 0 0 4 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.854 108.7 51.4 -72.6 -38.9 65.8 20.9 84.3 186 67 B V H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.978 113.8 46.0 -60.5 -51.9 68.8 22.3 86.2 187 68 B K H X S+ 0 0 147 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.920 113.8 49.0 -51.8 -48.3 71.0 20.5 83.6 188 69 B Q H X>S+ 0 0 39 -4,-2.4 4,-2.4 2,-0.2 5,-0.6 0.927 111.1 47.7 -63.5 -47.4 68.8 21.7 80.7 189 70 B I H X5S+ 0 0 17 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.945 114.6 47.9 -54.8 -48.5 68.8 25.3 81.9 190 71 B D H <5S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.753 117.9 39.7 -67.7 -27.0 72.6 25.2 82.3 191 72 B T H <5S+ 0 0 75 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.911 123.5 31.3 -91.4 -47.9 73.3 23.6 79.0 192 73 B I H <5S+ 0 0 18 -4,-2.4 -67,-0.3 -5,-0.2 -3,-0.2 0.827 105.0 77.4 -82.2 -35.8 70.9 25.3 76.5 193 74 B M S <> - 0 0 12 0, 0.0 3,-3.8 0, 0.0 4,-2.1 -0.477 37.7-113.7 -58.5 135.3 73.1 31.6 77.7 195 76 B D H 3> S+ 0 0 117 1,-0.3 4,-2.0 2,-0.2 -2,-0.1 0.817 117.0 62.0 -43.4 -42.2 74.6 32.1 81.2 196 77 B E H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 -181,-0.1 0.716 116.1 32.2 -59.1 -20.9 73.0 35.5 81.4 197 78 B L H <> S+ 0 0 1 -3,-3.8 4,-1.4 2,-0.1 -1,-0.2 0.658 111.3 65.6-105.2 -26.6 69.6 33.8 81.1 198 79 B A H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.951 95.7 54.4 -62.9 -53.0 70.5 30.5 82.9 199 80 B G H X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.917 109.5 45.0 -49.8 -58.5 71.1 32.0 86.4 200 81 B P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.821 112.8 52.5 -58.7 -35.9 67.7 33.7 86.8 201 82 B M H X S+ 0 0 17 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.908 108.1 51.3 -66.6 -40.8 65.9 30.7 85.4 202 83 B R H X S+ 0 0 87 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.898 110.3 48.6 -60.7 -42.3 67.6 28.4 88.0 203 84 B A H X S+ 0 0 51 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.920 111.1 49.3 -67.7 -43.7 66.7 30.7 90.9 204 85 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 106.2 58.5 -60.7 -34.9 63.0 30.9 89.8 205 86 B L H X S+ 0 0 5 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.908 104.4 50.6 -65.0 -39.6 63.1 27.1 89.5 206 87 B D H >< S+ 0 0 87 -4,-1.7 3,-0.7 1,-0.2 4,-0.3 0.931 111.5 47.2 -62.4 -43.7 64.0 26.7 93.2 207 88 B I H 3< S+ 0 0 111 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.881 121.4 37.2 -63.9 -38.7 61.2 29.1 94.2 208 89 B f H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.4 0.363 81.9 115.7 -94.9 4.7 58.7 27.2 92.1 209 90 B R T << S+ 0 0 125 -4,-0.7 3,-0.3 -3,-0.7 -1,-0.2 0.833 87.3 26.6 -45.9 -46.8 60.0 23.7 92.6 210 91 B T T > S+ 0 0 94 -3,-0.3 3,-1.8 -4,-0.3 -1,-0.3 0.411 89.6 104.0 -98.6 2.2 56.9 22.4 94.4 211 92 B V T < S+ 0 0 61 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.758 85.8 43.2 -62.7 -26.2 54.2 24.6 92.9 212 93 B A T > S+ 0 0 11 -4,-0.4 3,-1.5 -3,-0.3 -1,-0.3 0.413 83.1 131.7 -99.0 0.8 52.8 22.0 90.6 213 94 B D T < S+ 0 0 113 -3,-1.8 3,-0.1 1,-0.2 -34,-0.1 -0.283 74.0 12.9 -56.8 133.4 52.9 19.1 93.1 214 95 B G T 3 S+ 0 0 85 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.183 85.3 131.9 88.1 -18.7 49.7 17.1 93.2 215 96 B I < - 0 0 57 -3,-1.5 -1,-0.2 1,-0.2 6,-0.1 -0.592 40.7-162.8 -69.2 117.6 48.1 18.6 90.1 216 97 B K + 0 0 96 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.2 0.894 65.0 81.1 -76.0 -41.2 46.8 15.5 88.2 217 98 B N S > S- 0 0 79 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.518 71.2-148.2 -71.3 122.3 46.3 17.0 84.7 218 99 B N H > S+ 0 0 60 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.895 95.5 45.4 -59.3 -47.3 49.7 17.2 82.9 219 100 B e H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 112.9 51.2 -64.9 -38.6 49.0 20.3 80.9 220 101 B D H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 110.4 49.9 -64.8 -36.0 47.5 22.0 83.9 221 102 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.935 109.6 50.5 -71.7 -41.7 50.6 21.2 85.9 222 103 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 111.2 49.2 -57.7 -43.2 53.0 22.5 83.2 223 104 B Y H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.875 107.6 52.4 -68.7 -39.2 51.1 25.7 83.0 224 105 B V H X S+ 0 0 46 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.919 112.0 47.4 -60.6 -44.6 51.1 26.3 86.8 225 106 B L H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 111.0 51.9 -61.6 -45.6 54.9 25.8 86.8 226 107 B L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.898 108.5 50.3 -59.0 -44.9 55.3 28.1 83.8 227 108 B Q H X S+ 0 0 71 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 111.1 48.7 -63.1 -36.7 53.3 30.9 85.5 228 109 B f H X S+ 0 0 21 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.886 111.4 49.6 -69.5 -38.3 55.3 30.7 88.6 229 110 B L H < S+ 0 0 14 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.944 111.9 47.8 -66.7 -45.2 58.6 30.8 86.7 230 111 B S H >< S+ 0 0 16 -4,-2.6 3,-0.9 1,-0.2 6,-0.2 0.883 112.5 50.5 -60.3 -39.4 57.5 33.8 84.7 231 112 B K H 3< S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.9 39.3 -68.8 -37.5 56.4 35.5 87.9 232 113 B N T 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.162 106.5 71.8-101.2 20.9 59.7 34.8 89.7 233 114 B N X - 0 0 4 -3,-0.9 3,-1.5 -4,-0.2 -1,-0.2 -0.761 51.3-171.6-142.5 95.6 62.0 35.5 86.7 234 115 B P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.756 93.6 49.9 -49.2 -29.2 62.6 39.0 85.4 235 116 B K T 3 S+ 0 0 27 -38,-0.1 -34,-0.1 2,-0.0 -5,-0.1 -0.105 82.8 161.0-106.3 34.3 64.5 37.5 82.4 236 117 B F < + 0 0 16 -3,-1.5 2,-0.3 -6,-0.2 -6,-0.0 -0.246 8.2 166.9 -66.6 139.2 61.9 34.9 81.4 237 118 B I + 0 0 28 -40,-0.1 -2,-0.0 2,-0.0 -86,-0.0 -0.988 5.9 174.9-151.2 148.9 62.0 33.3 77.9 238 119 B F 0 0 24 -2,-0.3 -87,-0.1 -109,-0.0 -73,-0.0 -0.992 360.0 360.0-158.1 143.1 60.2 30.3 76.4 239 120 B P 0 0 30 0, 0.0 -71,-0.1 0, 0.0 -109,-0.1 -0.161 360.0 360.0 -55.8 360.0 59.9 28.7 72.9 240 !* 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 0.0 241 2 C T > 0 0 107 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 161.1 38.2 -11.7 71.6 242 3 C V H > + 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 360.0 52.4 -61.8 -40.0 35.6 -9.1 72.1 243 4 C E H > S+ 0 0 18 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.845 102.1 57.5 -74.5 -28.6 37.9 -7.2 74.5 244 5 C Q H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.922 111.6 43.9 -62.3 -41.4 40.8 -7.1 72.1 245 6 C M H X S+ 0 0 14 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.948 114.7 49.1 -64.3 -46.2 38.4 -5.3 69.7 246 7 C M H X S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.904 115.7 42.0 -64.0 -42.0 37.1 -3.1 72.4 247 8 C K H X S+ 0 0 82 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.826 113.7 51.8 -76.2 -32.0 40.5 -2.1 73.7 248 9 C S H X S+ 0 0 33 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.920 112.9 46.7 -66.4 -42.6 42.1 -1.7 70.2 249 10 C G H X S+ 0 0 14 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.916 111.8 49.8 -65.3 -45.6 39.2 0.6 69.2 250 11 C E H X S+ 0 0 54 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.912 112.0 49.6 -58.5 -41.3 39.5 2.6 72.5 251 12 C M H X S+ 0 0 136 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.938 113.5 42.8 -67.1 -48.5 43.2 3.0 71.9 252 13 C I H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.858 111.1 55.9 -73.0 -32.4 43.0 4.2 68.3 253 14 C R H X S+ 0 0 12 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.956 107.2 50.3 -57.4 -49.2 40.1 6.5 69.0 254 15 C S H X S+ 0 0 57 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.904 111.4 48.6 -58.3 -42.1 42.1 8.3 71.8 255 16 C V H X S+ 0 0 62 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.937 115.5 42.2 -63.0 -49.3 45.0 8.7 69.4 256 17 C g H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 6,-0.4 0.779 110.0 55.3 -76.0 -27.5 43.0 10.2 66.6 257 18 C L H X S+ 0 0 24 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.901 111.4 48.8 -63.1 -41.2 40.7 12.4 68.7 258 19 C G H < S+ 0 0 35 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.896 113.6 45.1 -61.2 -41.5 44.0 13.8 70.0 259 20 C K H < S+ 0 0 97 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.836 125.2 28.5 -78.4 -33.8 45.4 14.3 66.5 260 21 C T H < S- 0 0 11 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.671 87.9-141.4 -99.8 -24.3 42.3 15.9 64.8 261 22 C K < + 0 0 96 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.547 44.2 162.0 68.8 10.3 40.8 17.6 67.9 262 23 C V - 0 0 15 -6,-0.4 2,-0.3 18,-0.3 -1,-0.2 -0.127 49.6 -90.9 -62.2 154.6 37.3 16.5 66.5 263 24 C A >> - 0 0 52 1,-0.2 4,-1.2 2,-0.0 3,-1.0 -0.500 27.9-141.1 -65.4 123.1 34.2 16.5 68.7 264 25 C E H 3> S+ 0 0 33 -2,-0.3 4,-2.1 1,-0.3 3,-0.5 0.873 101.5 62.4 -54.6 -36.6 33.8 13.0 70.3 265 26 C E H 3> S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.880 100.5 52.6 -58.4 -36.5 30.1 13.3 69.8 266 27 C L H <> S+ 0 0 60 -3,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.829 107.8 51.8 -63.7 -33.6 30.6 13.5 66.0 267 28 C V H >< S+ 0 0 0 -4,-1.2 3,-1.2 -3,-0.5 4,-0.4 0.885 102.7 57.5 -73.9 -40.5 32.7 10.3 66.1 268 29 C N H >< S+ 0 0 23 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.820 98.9 63.0 -56.3 -33.6 30.0 8.4 68.0 269 30 C G H ><>S+ 0 0 9 -4,-1.1 5,-2.2 1,-0.2 3,-2.0 0.753 82.1 77.0 -66.4 -24.5 27.7 9.3 65.1 270 31 C L G X<5S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.5 -1,-0.2 0.806 92.4 55.8 -55.7 -25.0 29.8 7.3 62.6 271 32 C R G < 5S+ 0 0 59 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.550 107.5 47.4 -85.9 -6.0 28.2 4.2 64.2 272 33 C E G < 5S- 0 0 69 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 -0.091 120.8 -97.6-125.5 35.9 24.7 5.3 63.5 273 34 C S T < 5S+ 0 0 85 -3,-0.7 2,-0.9 1,-0.2 -3,-0.2 0.781 78.3 139.4 55.3 32.1 25.1 6.4 59.8 274 35 C K < + 0 0 127 -5,-2.2 2,-1.1 -8,-0.1 -1,-0.2 -0.805 22.4 172.4-104.3 89.3 25.5 10.1 60.7 275 36 C F - 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