==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 18-OCT-01 1K78 . COMPND 2 MOLECULE: PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.W.GARVIE,J.HAGMAN,C.WOLBERGER . 511 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 64.0 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 . 26 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 18 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.1 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 2 0 2 2 5 3 2 4 3 2 0 0 0 0 0 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 . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 19 A G 0 0 72 0, 0.0 8,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.9 21.7 4.0 17.0 2 20 A V B -A 8 0A 101 6,-0.2 6,-0.2 8,-0.0 8,-0.0 -0.992 360.0-142.6-124.8 121.9 22.8 4.0 13.3 3 21 A N > - 0 0 38 4,-3.1 3,-1.7 -2,-0.4 39,-0.0 -0.183 35.0 -93.5 -77.5 178.1 22.7 7.2 11.4 4 22 A Q T 3 S+ 0 0 51 1,-0.3 -1,-0.1 2,-0.2 38,-0.1 0.578 125.1 60.7 -70.2 -10.3 21.6 7.4 7.7 5 23 A L T 3 S- 0 0 25 36,-0.1 -1,-0.3 2,-0.1 37,-0.1 0.440 122.9-105.8 -92.7 -0.2 25.2 7.1 6.5 6 24 A G S < S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.568 74.2 142.8 88.3 11.2 25.3 3.7 8.3 7 25 A G - 0 0 6 34,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.651 51.3-124.3 -92.6 144.0 27.4 4.9 11.2 8 26 A V B +A 2 0A 125 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.662 39.3 168.9 -82.7 130.6 27.0 3.8 14.8 9 27 A F - 0 0 82 -8,-2.4 2,-0.7 -2,-0.4 6,-0.1 -0.953 36.1-129.9-141.7 160.8 26.6 6.7 17.2 10 28 A V > - 0 0 98 -2,-0.3 3,-2.8 3,-0.2 -2,-0.0 -0.893 35.1-125.0-115.1 99.9 25.6 7.2 20.8 11 29 A N T 3 S+ 0 0 145 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.134 93.6 12.7 -47.2 123.6 22.9 9.9 21.0 12 30 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.205 107.2 102.7 94.2 -15.6 23.9 12.7 23.3 13 31 A R S < S- 0 0 152 -3,-2.8 -1,-0.3 1,-0.1 -3,-0.2 -0.722 75.6-102.2-104.3 152.8 27.6 11.6 23.5 14 32 A P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.323 43.0 -97.1 -69.8 150.9 30.7 13.1 21.8 15 33 A L - 0 0 34 1,-0.1 5,-0.1 2,-0.1 -6,-0.1 -0.466 57.8 -90.5 -64.4 135.5 32.2 11.3 18.8 16 34 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.192 33.5-118.6 -50.6 139.6 35.1 9.2 20.1 17 35 A D H 3> S+ 0 0 64 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.825 112.1 61.2 -49.9 -37.3 38.4 11.2 20.1 18 36 A V H 3> S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.874 107.9 42.9 -60.8 -38.1 40.0 8.7 17.7 19 37 A V H <> S+ 0 0 41 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.873 111.0 55.6 -73.4 -39.9 37.4 9.5 15.0 20 38 A R H X S+ 0 0 16 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.918 108.7 48.6 -58.6 -43.2 37.7 13.2 15.7 21 39 A Q H X S+ 0 0 105 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.888 109.0 52.3 -64.7 -41.5 41.4 12.9 15.1 22 40 A R H X S+ 0 0 145 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.841 105.6 55.3 -66.0 -31.4 40.9 11.0 11.8 23 41 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.964 111.6 43.2 -65.2 -48.6 38.5 13.7 10.6 24 42 A V H X S+ 0 0 16 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 114.4 51.4 -62.4 -41.4 41.1 16.4 11.1 25 43 A E H X S+ 0 0 79 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.909 109.3 48.7 -63.9 -44.2 43.8 14.2 9.6 26 44 A L H <>S+ 0 0 26 -4,-2.6 5,-2.7 2,-0.2 4,-0.4 0.884 112.3 47.8 -64.4 -38.9 41.8 13.4 6.4 27 45 A A H ><5S+ 0 0 17 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.918 109.1 55.2 -68.1 -37.3 41.0 17.1 5.8 28 46 A H H 3<5S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 106.7 51.5 -59.5 -36.7 44.7 17.8 6.4 29 47 A Q T 3<5S- 0 0 127 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.499 128.4 -96.8 -79.0 -6.3 45.4 15.3 3.7 30 48 A G T < 5S+ 0 0 64 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.532 70.0 150.2 104.1 6.6 43.0 17.0 1.2 31 49 A V < - 0 0 37 -5,-2.7 -1,-0.3 -6,-0.1 5,-0.0 -0.601 51.0-115.6 -76.6 131.5 39.9 14.9 1.6 32 50 A R >> - 0 0 150 -2,-0.3 4,-2.3 1,-0.1 3,-1.0 -0.408 21.0-122.5 -63.4 135.1 36.6 16.9 0.9 33 51 A P H 3> S+ 0 0 66 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.875 113.6 55.4 -49.5 -40.7 34.4 17.2 4.1 34 52 A C H 3> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.884 110.7 46.1 -60.0 -36.5 31.5 15.7 2.2 35 53 A D H <> S+ 0 0 29 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.861 110.8 51.4 -74.0 -35.1 33.8 12.7 1.4 36 54 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.929 110.7 50.0 -63.6 -45.7 35.0 12.5 5.0 37 55 A S H X>S+ 0 0 8 -4,-3.0 5,-2.0 -5,-0.2 4,-1.0 0.945 115.9 41.0 -57.5 -53.2 31.4 12.5 6.2 38 56 A R H <5S+ 0 0 99 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.886 118.1 46.3 -63.1 -44.6 30.4 9.7 3.8 39 57 A Q H <5S+ 0 0 119 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.934 121.8 34.7 -68.4 -46.8 33.6 7.6 4.3 40 58 A L H <5S- 0 0 55 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.552 107.4-125.8 -84.1 -6.0 33.7 7.8 8.1 41 59 A R T <5 + 0 0 132 -4,-1.0 2,-0.4 -5,-0.3 -3,-0.2 0.958 62.0 136.5 61.8 51.9 29.8 7.7 8.3 42 60 A V < - 0 0 10 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.982 64.7 -97.7-127.5 138.2 29.4 10.9 10.3 43 61 A S >> - 0 0 66 -2,-0.4 4,-2.0 1,-0.2 3,-0.6 -0.264 30.8-125.7 -54.6 143.1 26.8 13.6 9.6 44 62 A H H 3> S+ 0 0 128 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.798 110.6 62.6 -64.8 -24.1 28.4 16.4 7.6 45 63 A G H 3> S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.899 105.0 45.2 -66.1 -38.8 27.2 18.8 10.2 46 64 A C H <> S+ 0 0 35 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.928 112.9 49.6 -69.3 -46.0 29.3 17.1 12.9 47 65 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.919 111.5 51.3 -56.4 -43.8 32.3 17.0 10.5 48 66 A S H X S+ 0 0 74 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.911 111.6 46.5 -59.9 -44.6 31.7 20.7 9.9 49 67 A K H X S+ 0 0 148 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.945 113.5 47.6 -64.3 -50.3 31.6 21.4 13.7 50 68 A I H X S+ 0 0 5 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.935 116.6 42.5 -59.1 -47.7 34.7 19.4 14.4 51 69 A L H X S+ 0 0 8 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.951 113.0 52.1 -66.5 -47.7 36.7 21.0 11.7 52 70 A G H X S+ 0 0 38 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.907 112.6 46.0 -55.0 -41.7 35.5 24.5 12.3 53 71 A R H X>S+ 0 0 113 -4,-2.5 4,-2.9 -5,-0.2 5,-0.6 0.875 112.2 52.1 -69.2 -37.0 36.4 24.2 15.9 54 72 A Y H X5S+ 0 0 85 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.916 108.9 47.4 -66.1 -45.2 39.8 22.7 15.1 55 73 A Y H <5S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 120.7 41.1 -65.5 -26.0 40.8 25.5 12.6 56 74 A E H <5S+ 0 0 166 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.823 132.0 18.1 -90.5 -36.1 39.7 28.0 15.2 57 75 A T H <5S- 0 0 99 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.727 86.3-128.1-109.0 -33.9 41.0 26.4 18.4 58 76 A G S < - 0 0 37 -2,-2.5 4,-2.9 -3,-0.2 5,-0.3 -0.196 47.0-109.0 -61.0 153.1 24.7 33.6 44.5 75 93 A P H > S+ 0 0 111 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.856 121.4 44.5 -54.5 -35.3 28.2 35.3 44.5 76 94 A K H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.904 112.0 50.4 -75.9 -43.5 26.8 37.9 47.0 77 95 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 110.5 51.3 -60.5 -42.7 25.0 35.3 49.2 78 96 A V H X S+ 0 0 30 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.916 110.4 47.7 -62.0 -43.5 28.2 33.2 49.4 79 97 A E H X S+ 0 0 141 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.860 109.9 53.9 -67.2 -33.9 30.3 36.2 50.4 80 98 A K H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 106.7 50.6 -64.8 -43.1 27.7 37.1 53.1 81 99 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 110.6 50.3 -61.2 -39.8 27.8 33.7 54.6 82 100 A A H X S+ 0 0 47 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.902 109.5 50.5 -65.1 -40.5 31.6 33.9 54.7 83 101 A E H X S+ 0 0 15 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.876 110.0 50.6 -64.9 -38.3 31.3 37.3 56.4 84 102 A Y H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.919 111.1 47.5 -66.3 -44.7 28.9 35.9 59.0 85 103 A K H < S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 110.6 51.5 -64.3 -40.2 31.2 33.0 59.8 86 104 A R H < S+ 0 0 188 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.4 46.3 -63.2 -38.8 34.2 35.2 60.1 87 105 A Q H < S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.909 134.2 11.2 -69.5 -44.6 32.2 37.4 62.5 88 106 A N >< - 0 0 26 -4,-2.7 3,-2.0 -5,-0.1 -1,-0.3 -0.752 64.1-173.8-139.6 88.6 30.9 34.5 64.6 89 107 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.754 87.7 52.7 -53.0 -27.6 32.5 31.1 63.9 90 108 A T T 3 S+ 0 0 63 339,-0.1 338,-0.1 337,-0.1 337,-0.1 0.553 77.7 122.0 -90.1 -5.2 30.1 29.4 66.2 91 109 A M < - 0 0 13 -3,-2.0 337,-0.1 -7,-0.2 2,-0.1 -0.277 62.7-123.6 -55.8 137.8 26.9 30.8 64.5 92 110 A F > - 0 0 90 1,-0.1 4,-1.9 4,-0.0 3,-0.2 -0.407 16.3-111.0 -82.8 163.3 24.7 27.9 63.3 93 111 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.903 118.5 49.6 -59.4 -43.9 23.5 27.4 59.7 94 112 A W H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.815 109.3 52.2 -67.7 -27.3 19.8 28.2 60.6 95 113 A E H > S+ 0 0 15 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.843 109.5 49.9 -75.0 -31.9 20.9 31.3 62.4 96 114 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 107.5 54.2 -68.0 -42.7 22.8 32.3 59.2 97 115 A R H X S+ 0 0 86 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.890 109.6 49.0 -56.6 -40.4 19.6 31.6 57.3 98 116 A D H X S+ 0 0 62 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.860 109.9 48.5 -70.4 -37.2 17.8 34.0 59.6 99 117 A R H X S+ 0 0 53 -4,-1.9 4,-1.5 2,-0.2 6,-0.2 0.808 105.1 59.5 -74.2 -27.9 20.3 36.8 59.3 100 118 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 6,-1.2 0.901 115.0 37.1 -63.4 -38.8 20.3 36.5 55.5 101 119 A L H ><5S+ 0 0 48 -4,-1.2 3,-2.1 3,-0.2 -2,-0.2 0.958 112.1 56.5 -75.4 -54.0 16.6 37.2 55.7 102 120 A A H 3<5S+ 0 0 85 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.717 116.3 38.7 -51.8 -24.1 16.8 39.8 58.6 103 121 A E T 3<5S- 0 0 89 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.444 112.7-123.3-104.8 -4.4 19.2 41.8 56.4 104 122 A R T < 5 + 0 0 221 -3,-2.1 -3,-0.2 -4,-0.2 -4,-0.1 0.835 68.6 135.0 66.8 38.1 17.4 41.1 53.2 105 123 A V S - 0 0 105 -2,-0.3 4,-2.6 -3,-0.1 -2,-0.0 -0.411 48.6 -91.3 -99.8-179.5 13.7 36.6 50.0 108 126 A N T 4 S+ 0 0 141 1,-0.2 -7,-0.0 2,-0.2 -1,-0.0 0.513 134.5 43.2 -73.3 -0.2 11.8 33.6 51.4 109 127 A D T 4 S+ 0 0 148 -37,-0.0 -1,-0.2 3,-0.0 -3,-0.0 0.658 115.7 45.2-110.5 -31.0 12.4 32.2 47.9 110 128 A T T 4 S+ 0 0 43 2,-0.1 -2,-0.2 -38,-0.0 -39,-0.0 0.827 84.3 107.8 -82.9 -35.9 16.1 33.2 47.5 111 129 A V S < S- 0 0 25 -4,-2.6 -38,-0.1 1,-0.1 -14,-0.1 -0.170 74.3-119.4 -49.6 125.7 17.3 32.1 51.0 112 130 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 -0.298 28.8-108.3 -65.6 151.3 19.5 29.0 50.8 113 131 A S > - 0 0 62 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.243 32.9-103.3 -72.3 171.2 18.3 25.9 52.6 114 132 A V H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.900 123.6 52.1 -63.8 -39.4 20.2 24.8 55.8 115 133 A S H > S+ 0 0 91 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.952 110.4 47.5 -60.5 -49.6 21.9 22.0 53.8 116 134 A S H > S+ 0 0 15 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.909 109.1 53.7 -59.2 -44.6 23.0 24.5 51.1 117 135 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 114.4 40.8 -57.6 -46.6 24.3 27.0 53.7 118 136 A N H X S+ 0 0 69 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.911 114.7 52.3 -68.9 -40.2 26.5 24.3 55.3 119 137 A R H X S+ 0 0 115 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.932 111.4 47.7 -59.4 -44.1 27.4 22.9 51.9 120 138 A I H < S+ 0 0 11 -4,-3.8 -2,-0.2 2,-0.2 -1,-0.2 0.932 111.3 50.5 -61.6 -45.3 28.5 26.4 51.0 121 139 A I H < S+ 0 0 54 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.947 114.6 44.7 -54.7 -52.4 30.4 26.8 54.2 122 140 A R H < S+ 0 0 191 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.881 121.6 33.9 -59.6 -48.9 32.2 23.5 53.6 123 141 A T < 0 0 112 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.778 360.0 360.0 -79.0-109.3 33.0 24.0 49.9 124 142 A K 0 0 182 -5,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.312 360.0 360.0 -60.4 360.0 33.8 27.6 48.9 125 !* 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 0.0 126 335 B I 0 0 72 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 144.0 10.1 12.1 12.1 127 336 B Q > - 0 0 87 1,-0.1 4,-2.5 4,-0.0 3,-0.4 -0.625 360.0-116.5 -93.0 149.7 12.2 11.8 8.9 128 337 B L H > S+ 0 0 11 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 114.2 51.5 -50.0 -49.4 11.1 12.9 5.5 129 338 B W H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.875 112.4 47.8 -59.7 -35.9 11.1 9.5 3.9 130 339 B Q H > S+ 0 0 69 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.885 108.8 54.3 -68.7 -41.0 8.9 8.2 6.8 131 340 B F H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 108.2 48.7 -60.7 -43.4 6.6 11.2 6.5 132 341 B L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.861 109.6 52.8 -64.6 -35.4 6.0 10.4 2.8 133 342 B L H X S+ 0 0 16 -4,-1.4 4,-1.1 -5,-0.2 -2,-0.2 0.917 106.3 53.8 -66.1 -40.4 5.4 6.8 3.7 134 343 B E H >< S+ 0 0 94 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.922 111.7 44.7 -56.9 -47.2 2.8 8.0 6.2 135 344 B L H >< S+ 0 0 12 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.872 110.5 55.1 -65.3 -38.9 1.0 10.0 3.5 136 345 B L H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 11,-0.2 0.634 106.4 50.9 -70.8 -16.1 1.3 7.0 1.1 137 346 B T T << S+ 0 0 63 -4,-1.1 2,-0.4 -3,-0.6 -1,-0.3 -0.056 95.5 84.0-111.2 30.5 -0.4 4.7 3.5 138 347 B D X - 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0 0 22 43,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.333 360.0-124.9 -65.7 143.3 27.3 33.3 96.8 356 336 F Q >> - 0 0 76 1,-0.1 4,-2.4 -2,-0.0 3,-0.6 -0.627 19.8-114.3 -90.8 150.4 24.9 33.4 93.9 357 337 F L H 3> S+ 0 0 10 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.878 114.4 51.2 -51.0 -47.7 25.8 32.4 90.4 358 338 F W H 3> S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.860 112.0 48.5 -61.9 -33.9 25.5 35.8 88.8 359 339 F Q H <> S+ 0 0 68 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 53.1 -70.6 -42.0 27.8 37.3 91.6 360 340 F F H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.952 110.1 47.2 -56.7 -51.6 30.3 34.5 91.1 361 341 F L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.904 110.5 53.5 -57.1 -41.3 30.6 35.2 87.4 362 342 F L H X S+ 0 0 13 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.866 106.3 52.2 -61.7 -38.8 30.9 38.9 88.1 363 343 F E H < S+ 0 0 101 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.907 111.6 46.6 -63.8 -42.5 33.8 38.2 90.5 364 344 F L H >< S+ 0 0 14 -4,-2.1 3,-1.5 1,-0.2 6,-0.4 0.914 109.4 55.1 -63.9 -43.7 35.5 36.3 87.7 365 345 F L H 3< S+ 0 0 4 -4,-2.7 11,-0.2 1,-0.3 -1,-0.2 0.647 108.1 47.8 -65.4 -20.4 34.8 39.0 85.2 366 346 F T T 3< S+ 0 0 63 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.136 95.0 85.6-107.8 18.7 36.5 41.7 87.4 367 347 F D X - 0 0 72 -3,-1.5 3,-2.2 1,-0.1 4,-0.2 -0.956 66.8-154.1-121.3 107.1 39.6 39.6 88.0 368 348 F K G > S+ 0 0 114 -2,-0.5 3,-1.2 1,-0.3 4,-0.2 0.743 90.0 68.5 -53.3 -26.4 42.2 40.0 85.2 369 349 F S G 3 S+ 0 0 90 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.684 97.3 53.1 -70.2 -13.5 43.7 36.6 86.0 370 350 F C G X> S+ 0 0 6 -3,-2.2 4,-1.7 -6,-0.4 3,-1.6 0.378 74.6 102.7-101.4 4.4 40.5 34.9 84.7 371 351 F Q T <4 + 0 0 60 -3,-1.2 -1,-0.2 1,-0.3 15,-0.1 0.708 67.7 70.5 -63.8 -18.5 40.3 36.5 81.3 372 352 F S T 34 S+ 0 0 103 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.780 115.8 22.2 -70.0 -23.2 41.6 33.4 79.6 373 353 F F T <4 S+ 0 0 11 -3,-1.6 14,-2.0 1,-0.3 2,-0.3 0.567 133.7 23.0-119.0 -13.3 38.3 31.5 80.3 374 354 F I S < S+ 0 0 1 -4,-1.7 -1,-0.3 11,-0.2 2,-0.3 -0.936 70.8 149.4-153.7 129.7 35.7 34.3 80.9 375 355 F S E -F 384 0D 31 9,-2.1 9,-2.9 -2,-0.3 2,-0.2 -0.991 45.7 -91.8-157.0 164.1 35.7 37.9 79.7 376 356 F W E -F 383 0D 8 -2,-0.3 7,-0.3 7,-0.2 80,-0.2 -0.506 26.5-144.1 -74.6 147.1 33.7 41.0 78.6 377 357 F T - 0 0 50 5,-2.1 6,-0.1 2,-0.2 -1,-0.1 0.596 42.0-110.2 -88.7 -11.1 33.1 41.3 74.8 378 358 F G S S+ 0 0 34 4,-0.6 2,-0.9 2,-0.3 5,-0.1 0.303 89.3 110.3 100.3 -10.0 33.4 45.1 74.9 379 359 F D S > S- 0 0 85 3,-0.2 3,-1.9 1,-0.0 -2,-0.2 -0.808 94.2 -75.5-103.1 94.6 29.7 45.6 74.2 380 360 F G T 3 S- 0 0 20 -2,-0.9 -2,-0.3 1,-0.3 -3,-0.1 -0.289 105.8 -19.2 56.8-130.1 28.2 47.0 77.4 381 361 F W T 3 S+ 0 0 30 53,-0.3 53,-2.2 -5,-0.1 2,-0.3 -0.004 100.6 130.1 -99.2 28.8 27.7 44.3 80.0 382 362 F E E < + G 0 433D 14 -3,-1.9 -5,-2.1 51,-0.2 -4,-0.6 -0.629 33.7 178.7 -82.5 139.1 27.9 41.5 77.5 383 363 F F E -FG 376 432D 0 49,-3.3 49,-2.2 -2,-0.3 2,-0.4 -0.901 16.6-142.5-137.5 169.5 30.4 38.7 78.4 384 364 F K E -FG 375 431D 76 -9,-2.9 -9,-2.1 -2,-0.3 2,-1.2 -0.991 15.2-136.4-139.7 142.5 31.6 35.4 77.1 385 365 F L - 0 0 1 45,-2.6 -11,-0.2 -2,-0.4 4,-0.1 -0.726 21.6-176.7 -96.5 84.3 32.6 32.0 78.5 386 366 F S S S+ 0 0 50 -2,-1.2 -12,-0.2 1,-0.3 -1,-0.2 0.847 87.7 20.7 -48.7 -39.2 35.7 31.4 76.4 387 367 F D S >> S- 0 0 76 -14,-2.0 4,-1.8 -3,-0.1 3,-0.6 -0.780 74.0-177.6-133.6 86.5 36.0 28.0 78.2 388 368 F P H 3> S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.827 81.6 57.0 -54.4 -33.5 32.5 27.1 79.5 389 369 F D H 3> S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.877 104.6 49.5 -70.4 -36.7 33.7 23.9 81.1 390 370 F E H <> S+ 0 0 35 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.894 111.0 51.7 -68.1 -36.8 36.4 25.6 83.2 391 371 F V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.933 110.8 46.9 -64.0 -43.5 33.8 28.1 84.4 392 372 F A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.927 109.4 55.8 -64.1 -41.4 31.4 25.3 85.4 393 373 F R H X S+ 0 0 125 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.955 110.9 43.3 -56.1 -50.4 34.4 23.5 87.1 394 374 F R H X S+ 0 0 88 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.858 111.0 54.1 -66.8 -33.7 35.1 26.6 89.3 395 375 F W H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.956 111.2 47.1 -63.5 -45.7 31.4 27.2 90.0 396 376 F G H X>S+ 0 0 5 -4,-2.8 5,-2.9 2,-0.2 4,-0.7 0.914 113.1 47.7 -60.7 -43.6 31.2 23.6 91.2 397 377 F K H ><5S+ 0 0 154 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.947 111.3 51.9 -61.3 -47.6 34.3 23.9 93.3 398 378 F R H 3<5S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.861 118.6 35.5 -58.1 -39.5 33.0 27.2 94.7 399 379 F K H 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.363 110.9-117.2 -97.0 5.3 29.7 25.6 95.8 400 380 F N T <<5 + 0 0 137 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.957 67.8 140.3 56.4 52.8 31.2 22.2 96.7 401 381 F K > < - 0 0 117 -5,-2.9 3,-2.0 1,-0.1 -1,-0.2 -0.812 31.4-174.5-126.8 88.6 29.2 20.4 94.0 402 382 F P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.736 82.5 57.2 -55.9 -24.6 31.5 17.8 92.4 403 383 F K T 3 S+ 0 0 150 -7,-0.1 -7,-0.0 -3,-0.1 -3,-0.0 0.459 75.0 125.2 -89.4 0.3 28.8 16.9 89.8 404 384 F M < + 0 0 46 -3,-2.0 2,-0.3 -11,-0.1 -8,-0.0 -0.279 32.1 161.3 -59.8 143.0 28.5 20.5 88.4 405 385 F N > - 0 0 70 -9,-0.0 4,-2.0 -13,-0.0 3,-0.3 -0.891 54.5 -83.9-150.7 178.7 29.0 20.6 84.6 406 386 F Y H > S+ 0 0 63 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.841 121.4 58.8 -61.9 -37.5 28.2 22.9 81.8 407 387 F E H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 110.3 42.9 -61.0 -41.3 24.7 21.6 81.3 408 388 F K H > S+ 0 0 100 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 114.0 49.2 -75.4 -33.8 23.7 22.5 84.8 409 389 F L H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 109.5 53.6 -70.4 -37.7 25.4 25.9 84.8 410 390 F S H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.885 108.0 50.2 -59.5 -41.2 23.7 26.7 81.5 411 391 F R H X S+ 0 0 132 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.887 106.3 55.9 -65.5 -38.3 20.4 25.9 83.1 412 392 F G H X S+ 0 0 20 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.872 107.9 48.8 -61.1 -34.8 21.3 28.2 86.0 413 393 F L H >X S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 4,-0.6 0.914 108.1 52.5 -72.1 -40.4 21.8 31.0 83.5 414 394 F R H >< S+ 0 0 102 -4,-2.2 3,-1.1 1,-0.3 4,-0.4 0.852 100.5 64.2 -61.5 -31.6 18.4 30.2 81.8 415 395 F Y H 3< S+ 0 0 87 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.783 99.5 54.0 -61.8 -25.7 16.9 30.5 85.3 416 396 F Y H X<>S+ 0 0 7 -3,-1.3 3,-1.8 -4,-0.6 5,-1.3 0.645 81.8 91.2 -84.1 -15.0 18.0 34.2 85.3 417 397 F Y G X<5S+ 0 0 72 -3,-1.1 3,-0.5 -4,-0.6 -1,-0.2 0.861 95.4 34.5 -49.9 -43.8 16.3 35.1 82.0 418 398 F D G 3 5S+ 0 0 70 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.276 105.1 70.7 -98.6 12.8 13.0 36.2 83.6 419 399 F K G < 5S- 0 0 32 -3,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.279 106.3-117.4-105.5 7.2 14.6 37.7 86.8 420 400 F N T < 5S+ 0 0 116 -3,-0.5 -3,-0.1 -4,-0.3 -2,-0.1 0.893 90.0 104.7 57.2 40.5 16.0 40.6 84.9 421 401 F I S - 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