==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 29-AUG-10 3ONL . COMPND 2 MOLECULE: EPSIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.WANG,P.FANG,L.NIU,M.TENG . 371 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 79.0 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 . 4 1.1 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 . 2 0.5 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 5 2 0 0 2 0 2 0 4 0 0 0 1 1 0 0 0 0 0 0 0 1 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 24 A S 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.6 19.5 11.5 -0.1 2 25 A V - 0 0 95 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.013 360.0-100.8 -57.9 159.6 21.4 10.7 -3.4 3 26 A D - 0 0 108 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.398 30.5-117.9 -66.4 150.0 20.1 9.1 -6.5 4 27 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 38.0-154.7 -68.8 -17.5 20.9 5.4 -7.0 5 28 A N - 0 0 115 1,-0.2 2,-0.0 2,-0.0 -3,-0.0 0.875 9.0-156.8 49.8 50.3 22.8 6.5 -10.2 6 29 A Y - 0 0 102 4,-0.1 -1,-0.2 1,-0.1 2,-0.0 -0.359 10.7-130.4 -57.9 132.0 22.6 3.2 -12.1 7 30 A T > - 0 0 53 1,-0.1 4,-2.5 -2,-0.0 5,-0.1 -0.214 27.9 -99.9 -70.1 173.1 25.3 2.8 -14.7 8 31 A E H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.931 126.5 47.0 -62.1 -46.2 24.5 1.9 -18.2 9 32 A M H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.3 50.6 -63.6 -42.5 25.5 -1.7 -17.5 10 33 A E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.3 50.6 -60.2 -41.6 23.5 -1.8 -14.3 11 34 A G H X S+ 0 0 29 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.876 106.1 56.1 -63.0 -38.2 20.5 -0.5 -16.3 12 35 A K H X S+ 0 0 25 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.921 109.7 45.2 -57.9 -45.9 21.1 -3.2 -18.9 13 36 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.861 110.9 52.3 -68.5 -36.5 20.8 -5.9 -16.1 14 37 A R H >< S+ 0 0 119 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.946 113.0 46.6 -63.2 -46.0 17.7 -4.2 -14.6 15 38 A E H >< S+ 0 0 41 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.924 108.9 53.6 -58.0 -47.9 16.1 -4.3 -18.0 16 39 A A H 3< S+ 0 0 1 -4,-2.6 8,-0.4 1,-0.3 -1,-0.2 0.652 118.1 37.9 -66.5 -12.8 17.1 -7.9 -18.6 17 40 A T T << S+ 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.063 86.0 130.1-128.7 26.1 15.4 -8.8 -15.4 18 41 A N S < S- 0 0 36 -3,-1.6 48,-0.1 1,-0.1 5,-0.1 -0.117 72.4 -98.6 -70.2 175.3 12.3 -6.6 -15.3 19 42 A N S S+ 0 0 84 2,-0.0 43,-0.1 44,-0.0 -1,-0.1 0.394 80.8 119.9 -84.0 5.6 8.7 -7.9 -14.6 20 43 A E - 0 0 51 1,-0.1 3,-0.4 42,-0.1 198,-0.1 -0.352 63.7-133.0 -68.9 151.1 7.6 -8.1 -18.3 21 44 A P S S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 247,-0.1 0.398 87.0 72.8 -89.6 5.9 6.6 -11.7 -19.5 22 45 A W S S- 0 0 6 1,-0.1 249,-0.2 245,-0.1 -2,-0.0 0.626 91.7-120.5-102.0 -14.5 8.5 -11.9 -22.8 23 46 A G - 0 0 13 -3,-0.4 -1,-0.1 -5,-0.1 -6,-0.1 0.208 34.4 -63.1 91.2 149.7 12.2 -12.3 -21.8 24 47 A A - 0 0 12 -8,-0.4 192,-0.1 1,-0.1 -8,-0.1 -0.386 60.7-107.4 -64.4 142.6 15.4 -10.3 -22.5 25 48 A S > - 0 0 1 189,-0.1 4,-2.2 190,-0.1 5,-0.2 -0.285 22.0-113.4 -69.8 158.9 16.4 -10.1 -26.1 26 49 A S H > S+ 0 0 18 187,-0.4 4,-2.2 245,-0.4 5,-0.1 0.870 116.7 49.6 -52.9 -45.8 19.4 -12.0 -27.6 27 50 A T H > S+ 0 0 43 187,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 108.3 52.0 -71.1 -35.8 21.3 -8.8 -28.2 28 51 A L H > S+ 0 0 5 186,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.955 111.9 46.7 -62.8 -52.1 20.8 -7.4 -24.7 29 52 A M H X S+ 0 0 23 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.1 52.2 -53.8 -45.8 22.1 -10.6 -23.2 30 53 A D H X S+ 0 0 52 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.923 108.5 51.5 -57.0 -45.7 25.0 -10.6 -25.6 31 54 A Q H X S+ 0 0 38 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.858 109.2 49.6 -60.1 -40.7 25.8 -7.0 -24.6 32 55 A I H >X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.907 106.1 56.9 -65.4 -41.3 25.8 -8.0 -20.9 33 56 A S H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 46,-0.4 0.830 102.2 55.7 -59.1 -34.9 28.1 -10.9 -21.6 34 57 A Q H >< S+ 0 0 46 -4,-1.5 3,-1.7 1,-0.2 -1,-0.3 0.849 98.6 62.8 -64.7 -35.3 30.6 -8.5 -23.1 35 58 A G H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.5 7,-0.5 0.754 87.0 72.2 -62.7 -24.5 30.6 -6.5 -19.8 36 59 A T T << S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.7 46,-0.3 0.563 81.8 74.3 -70.0 -6.0 31.9 -9.6 -17.9 37 60 A Y T < S+ 0 0 2 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 0.283 93.1 55.1 -93.9 9.1 35.4 -9.0 -19.6 38 61 A N S <> S- 0 0 20 -3,-1.3 4,-2.4 1,-0.1 5,-0.2 -0.993 84.1-122.7-137.5 147.2 36.3 -5.9 -17.4 39 62 A F H > S+ 0 0 61 -2,-0.3 4,-2.2 331,-0.3 5,-0.2 0.873 104.3 44.6 -52.0 -54.4 36.4 -5.7 -13.6 40 63 A R H > S+ 0 0 198 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.962 115.8 43.7 -61.4 -56.3 33.9 -2.8 -13.0 41 64 A E H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 114.9 51.0 -58.9 -40.0 31.1 -3.9 -15.4 42 65 A R H X S+ 0 0 7 -4,-2.4 4,-2.4 -7,-0.5 -1,-0.2 0.867 108.8 50.0 -65.7 -38.5 31.4 -7.5 -14.2 43 66 A E H X S+ 0 0 130 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.941 112.9 48.1 -64.9 -44.5 31.1 -6.5 -10.5 44 67 A E H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.875 110.5 51.1 -60.6 -39.9 28.1 -4.4 -11.4 45 68 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.941 111.1 48.0 -65.0 -46.8 26.5 -7.3 -13.4 46 69 A L H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.910 113.2 47.6 -58.6 -46.0 27.0 -9.8 -10.5 47 70 A S H X S+ 0 0 55 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.930 111.6 48.2 -65.3 -47.1 25.6 -7.4 -7.9 48 71 A M H X S+ 0 0 20 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.934 113.3 48.8 -60.8 -44.8 22.4 -6.5 -9.8 49 72 A I H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 3,-0.7 0.962 114.8 43.7 -57.5 -52.9 21.7 -10.2 -10.6 50 73 A F H 3X S+ 0 0 23 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.733 105.0 63.7 -71.6 -23.6 22.1 -11.3 -7.0 51 74 A R H 3X S+ 0 0 130 -4,-2.2 4,-2.6 -5,-0.2 3,-0.4 0.874 100.1 54.2 -60.3 -39.9 20.1 -8.3 -5.7 52 75 A R H + 0 0 54 -2,-0.3 3,-1.9 42,-0.0 6,-0.1 -0.950 47.0 13.3-163.2 172.3 9.6 -12.7 -4.2 58 81 A G G > S+ 0 0 24 42,-0.3 3,-1.5 -2,-0.3 45,-0.0 -0.226 126.1 10.6 57.6-123.4 6.1 -14.0 -4.7 59 82 A S G 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.490 124.0 64.7 -70.4 -4.1 4.3 -12.4 -7.7 60 83 A E G X> + 0 0 78 -3,-1.9 3,-1.7 1,-0.2 4,-0.7 0.104 67.4 120.0-101.5 19.3 7.6 -10.8 -8.9 61 84 A W H X> + 0 0 22 -3,-1.5 4,-2.7 1,-0.3 3,-0.6 0.770 59.4 68.2 -55.2 -34.0 8.9 -14.4 -9.5 62 85 A R H 3> S+ 0 0 47 -3,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.787 93.6 59.0 -63.3 -26.1 9.5 -13.8 -13.2 63 86 A Q H <> S+ 0 0 21 -3,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.880 108.5 44.3 -67.4 -38.4 12.2 -11.3 -12.3 64 87 A I H - 0 0 0 -46,-0.4 4,-1.5 1,-0.1 -1,-0.2 -0.308 35.9-122.3 -67.6 149.2 34.3 -14.6 -19.1 80 103 A E H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.883 115.7 58.5 -52.2 -41.6 35.8 -17.5 -17.2 81 104 A R H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 102.2 52.7 -55.2 -48.0 36.4 -15.0 -14.3 82 105 A F H > S+ 0 0 0 -46,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.863 106.9 52.9 -55.4 -39.5 32.6 -14.3 -14.2 83 106 A I H X S+ 0 0 10 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.870 109.9 47.6 -65.5 -39.4 31.9 -18.1 -13.9 84 107 A D H X S+ 0 0 67 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.867 110.4 51.9 -67.9 -40.7 34.3 -18.4 -11.0 85 108 A D H X S+ 0 0 42 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.905 109.7 50.5 -60.0 -41.0 32.7 -15.4 -9.3 86 109 A T H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.882 108.3 52.1 -67.4 -39.8 29.4 -17.0 -9.7 87 110 A R H >< S+ 0 0 55 -4,-1.9 3,-2.5 1,-0.2 4,-0.2 0.917 101.6 59.6 -58.9 -46.2 30.6 -20.3 -8.2 88 111 A N H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.725 110.8 44.1 -55.8 -21.6 31.9 -18.4 -5.1 89 112 A S T XX S+ 0 0 33 -3,-0.7 3,-1.2 -4,-0.6 4,-1.0 0.083 71.7 122.3-113.0 20.4 28.3 -17.3 -4.6 90 113 A I H X> + 0 0 69 -3,-2.5 4,-3.1 1,-0.3 3,-0.6 0.837 69.7 66.4 -48.2 -39.1 26.6 -20.7 -5.3 91 114 A N H 3> S+ 0 0 98 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.877 97.1 52.1 -48.7 -46.3 25.1 -20.4 -1.8 92 115 A L H <4 S+ 0 0 80 -3,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.775 113.6 44.6 -66.5 -28.9 23.0 -17.4 -2.9 93 116 A I H X< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.6 -2,-0.2 0.899 108.3 57.6 -76.2 -44.7 21.7 -19.4 -5.8 94 117 A R H >< S+ 0 0 118 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.771 92.3 68.2 -60.4 -30.2 21.0 -22.5 -3.7 95 118 A I G >< S+ 0 0 120 -4,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.791 91.7 63.1 -60.7 -26.0 18.7 -20.6 -1.3 96 119 A L G X S+ 0 0 7 -3,-1.7 3,-2.3 -4,-0.3 -1,-0.3 0.536 73.4 96.6 -76.6 -7.3 16.2 -20.4 -4.3 97 120 A E G < S+ 0 0 84 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.748 90.8 40.0 -51.9 -29.6 15.9 -24.2 -4.4 98 121 A T G < S+ 0 0 108 -3,-0.9 -1,-0.3 -4,-0.2 2,-0.1 0.003 80.5 148.1-111.4 26.8 12.7 -23.9 -2.3 99 122 A F < - 0 0 25 -3,-2.3 2,-0.4 11,-0.1 15,-0.3 -0.440 27.8-169.0 -62.0 131.8 11.3 -20.8 -4.0 100 123 A H + 0 0 126 -2,-0.1 -42,-0.3 13,-0.1 2,-0.3 -0.990 19.5 151.9-132.4 134.1 7.5 -21.1 -3.8 101 124 A Y - 0 0 59 -2,-0.4 8,-2.3 -44,-0.1 9,-2.1 -0.862 18.4-168.6-159.7 129.6 4.6 -19.2 -5.4 102 125 A I B -A 108 0A 91 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.977 26.6-139.3-113.6 126.3 1.1 -20.0 -6.4 103 126 A D > - 0 0 27 4,-2.2 3,-1.3 -2,-0.5 2,-0.4 0.041 34.3 -80.0 -78.8-173.2 -0.6 -17.4 -8.6 104 127 A S T 3 S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.048 127.2 45.6 -82.0 33.3 -4.2 -16.0 -8.7 105 128 A Q T 3 S- 0 0 69 -2,-0.4 -1,-0.2 2,-0.2 -2,-0.0 0.250 120.0 -97.1-150.2 3.8 -5.6 -19.0 -10.6 106 129 A G S < S+ 0 0 55 -3,-1.3 -2,-0.1 1,-0.3 2,-0.0 0.174 76.0 141.3 96.7 -16.2 -4.0 -21.9 -8.7 107 130 A R - 0 0 153 1,-0.1 -4,-2.2 -5,-0.1 2,-0.8 -0.312 55.0-122.7 -63.7 138.6 -1.0 -22.4 -11.1 108 131 A D B +A 102 0A 62 -6,-0.2 -6,-0.2 1,-0.2 -1,-0.1 -0.747 40.1 162.3 -82.5 110.3 2.4 -23.3 -9.6 109 132 A Q >> + 0 0 28 -8,-2.3 3,-1.6 -2,-0.8 4,-0.7 0.720 65.4 70.9 -99.3 -27.8 4.8 -20.6 -10.8 110 133 A G H 3> S+ 0 0 0 -9,-2.1 4,-2.3 1,-0.3 3,-0.3 0.770 84.9 71.1 -57.0 -29.0 7.5 -21.2 -8.2 111 134 A I H 3> S+ 0 0 75 -10,-0.3 4,-2.2 1,-0.2 5,-0.3 0.771 90.7 59.8 -61.4 -27.3 8.3 -24.5 -10.0 112 135 A N H <> S+ 0 0 51 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.932 108.4 43.1 -65.3 -45.6 9.8 -22.5 -12.9 113 136 A V H X S+ 0 0 0 -4,-0.7 4,-2.9 -3,-0.3 -2,-0.2 0.933 114.4 51.9 -61.1 -48.2 12.3 -20.9 -10.5 114 137 A R H X S+ 0 0 48 -4,-2.3 4,-2.7 -15,-0.3 -2,-0.2 0.907 111.8 41.9 -61.9 -49.9 13.1 -24.2 -8.8 115 138 A T H X S+ 0 0 89 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 115.6 52.5 -66.8 -37.3 13.8 -26.3 -11.9 116 139 A R H X S+ 0 0 68 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.934 111.6 46.3 -58.1 -48.5 15.8 -23.4 -13.3 117 140 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.912 110.5 53.1 -60.5 -46.2 17.8 -23.2 -10.1 118 141 A K H X S+ 0 0 54 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.895 111.2 45.2 -60.5 -43.7 18.4 -27.0 -10.1 119 142 A A H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.856 111.6 53.6 -67.7 -36.4 19.8 -27.0 -13.6 120 143 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 109.5 46.9 -64.4 -44.4 22.0 -24.0 -12.9 121 144 A I H X S+ 0 0 18 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.889 111.2 52.0 -65.0 -41.8 23.6 -25.6 -9.9 122 145 A E H < S+ 0 0 56 -4,-1.9 3,-0.4 -5,-0.2 4,-0.3 0.933 110.4 49.0 -57.2 -48.4 24.2 -28.9 -11.8 123 146 A L H >< S+ 0 0 19 -4,-2.2 3,-1.6 1,-0.2 7,-0.4 0.930 109.4 51.5 -56.8 -49.9 25.9 -26.9 -14.6 124 147 A L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 105.2 55.4 -63.6 -27.5 28.1 -25.0 -12.2 125 148 A S T 3< S+ 0 0 97 -4,-1.4 2,-0.5 -3,-0.4 -1,-0.3 0.439 99.1 70.1 -84.0 -0.1 29.4 -28.2 -10.4 126 149 A D <> - 0 0 70 -3,-1.6 4,-2.3 -4,-0.3 3,-0.4 -0.789 53.6-178.4-130.4 87.4 30.6 -29.8 -13.7 127 150 A D H > S+ 0 0 106 -2,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.868 88.0 53.1 -50.1 -46.1 33.6 -28.2 -15.4 128 151 A N H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 109.5 49.2 -58.4 -43.3 33.5 -30.7 -18.3 129 152 A K H > S+ 0 0 32 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.914 111.3 48.1 -64.2 -45.8 29.8 -29.8 -18.9 130 153 A I H X S+ 0 0 11 -4,-2.3 4,-2.6 -7,-0.4 5,-0.2 0.941 110.1 53.9 -56.6 -50.8 30.5 -26.0 -18.8 131 154 A R H X S+ 0 0 153 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.911 111.5 44.6 -48.0 -51.5 33.4 -26.6 -21.2 132 155 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.865 111.7 52.6 -64.9 -39.2 31.1 -28.4 -23.7 133 156 A E H X S+ 0 0 74 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.864 107.0 51.8 -67.1 -36.6 28.4 -25.8 -23.3 134 157 A R H X S+ 0 0 13 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.886 109.0 51.8 -66.3 -40.1 30.8 -22.9 -24.2 135 158 A K H X S+ 0 0 119 -4,-1.7 4,-2.0 -5,-0.2 3,-0.4 0.958 110.4 48.0 -53.8 -55.6 31.9 -24.9 -27.3 136 159 A K H X S+ 0 0 62 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 108.4 55.5 -51.5 -49.0 28.2 -25.2 -28.3 137 160 A A H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.7 48.7 -55.0 -40.1 27.6 -21.5 -27.7 138 161 A R H < S+ 0 0 73 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.929 110.2 49.1 -68.7 -49.3 30.4 -20.5 -30.1 139 162 A E H < 0 0 92 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.1 0.957 360.0 360.0 -52.9 -55.2 29.4 -22.7 -33.0 140 163 A T < 0 0 106 -4,-2.3 137,-0.1 -5,-0.2 136,-0.1 0.116 360.0 360.0 -69.9 360.0 25.7 -21.5 -32.8 141 !* 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 0.0 142 28 B N 0 0 219 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.6 12.3 18.0 -40.4 143 29 B Y - 0 0 106 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.865 360.0-112.3-107.5 145.4 12.6 14.4 -39.1 144 30 B T > - 0 0 50 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.181 34.7-104.2 -64.2 165.8 14.7 13.3 -36.1 145 31 B E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.937 122.9 46.7 -58.1 -48.8 17.7 11.0 -36.8 146 32 B M H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.888 110.3 52.7 -63.0 -41.1 15.8 8.0 -35.4 147 33 B E H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 106.9 54.4 -60.3 -40.9 12.7 8.8 -37.5 148 34 B G H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.885 104.5 54.0 -57.6 -42.4 14.9 9.0 -40.5 149 35 B K H X S+ 0 0 40 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.880 108.4 48.4 -62.6 -40.4 16.2 5.5 -39.8 150 36 B V H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.919 111.7 49.5 -65.6 -44.7 12.6 4.1 -39.7 151 37 B R H >< S+ 0 0 92 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.944 111.4 50.7 -58.2 -45.8 11.8 5.9 -43.0 152 38 B E H >< S+ 0 0 102 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.906 105.4 54.7 -57.6 -45.6 15.0 4.4 -44.5 153 39 B A H 3< S+ 0 0 5 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.633 110.5 48.4 -66.7 -14.0 14.1 0.8 -43.3 154 40 B T T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 49,-0.2 0.395 86.3 121.1-104.3 1.1 10.8 1.2 -45.2 155 41 B N < - 0 0 64 -3,-1.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.208 68.6-129.2 -61.8 151.5 12.2 2.6 -48.5 156 42 B N S S+ 0 0 68 1,-0.2 -1,-0.1 4,-0.0 -4,-0.0 0.795 87.7 83.9 -63.9 -29.3 11.7 0.8 -51.8 157 43 B E S S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.992 91.3 24.4-136.2 125.6 15.5 1.0 -52.3 158 44 B P S S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.653 85.0-157.2 -63.3 152.7 17.4 -0.9 -51.2 159 45 B W S S+ 0 0 123 -2,-0.1 2,-0.5 2,-0.1 -2,-0.1 0.897 78.3 59.5 -72.6 -42.4 14.6 -3.5 -51.1 160 46 B G S S- 0 0 56 -4,-0.0 2,-0.2 1,-0.0 -1,-0.0 -0.767 87.1-135.4 -82.0 127.7 16.2 -5.6 -48.4 161 47 B A - 0 0 29 -2,-0.5 2,-0.2 -8,-0.1 -8,-0.1 -0.607 24.1-109.8 -78.8 144.4 16.7 -3.7 -45.2 162 48 B S > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.550 8.8-141.0 -70.7 136.8 20.1 -4.2 -43.5 163 49 B S H > S+ 0 0 69 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.711 107.6 62.2 -64.5 -20.1 20.0 -6.1 -40.2 164 50 B T H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 104.8 42.2 -69.4 -47.8 22.5 -3.4 -39.3 165 51 B L H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.908 114.8 51.7 -63.3 -42.9 20.1 -0.6 -39.8 166 52 B M H X S+ 0 0 22 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.870 106.1 54.3 -66.9 -34.0 17.4 -2.6 -38.0 167 53 B D H X S+ 0 0 66 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 106.3 52.2 -62.7 -40.9 19.8 -3.3 -35.1 168 54 B Q H X S+ 0 0 94 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.865 111.8 46.9 -61.8 -36.4 20.3 0.5 -34.7 169 55 B I H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.906 109.3 53.9 -73.0 -40.5 16.5 0.9 -34.6 170 56 B S H >< S+ 0 0 7 -4,-2.9 3,-1.2 1,-0.2 46,-0.4 0.893 105.1 53.3 -57.3 -42.0 16.2 -2.0 -32.1 171 57 B Q H >< S+ 0 0 75 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.830 100.8 63.6 -63.5 -29.8 18.7 -0.2 -29.8 172 58 B G H >< S+ 0 0 1 -4,-1.0 3,-1.1 -3,-0.3 7,-0.5 0.713 87.6 70.0 -66.1 -22.7 16.5 2.9 -30.0 173 59 B T T << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.7 46,-0.2 0.494 83.2 74.4 -74.8 -3.1 13.6 1.0 -28.3 174 60 B Y T < S+ 0 0 39 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.2 0.508 92.8 53.4 -91.2 -4.3 15.5 1.0 -25.0 175 61 B N S <> S- 0 0 55 -3,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.990 81.1-124.7-132.9 144.1 14.9 4.7 -24.2 176 62 B F H > S+ 0 0 147 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 0.873 104.9 53.6 -50.7 -49.3 11.7 6.7 -24.0 177 63 B R H > S+ 0 0 153 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.933 117.9 32.7 -55.7 -56.9 12.7 9.4 -26.5 178 64 B E H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.907 114.8 59.3 -68.4 -41.1 13.7 7.2 -29.4 179 65 B R H X S+ 0 0 31 -4,-2.7 4,-2.8 -7,-0.5 -2,-0.2 0.904 106.3 47.3 -56.2 -47.5 11.1 4.5 -28.6 180 66 B E H X S+ 0 0 81 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.865 112.0 51.4 -60.6 -39.1 8.1 6.9 -29.0 181 67 B E H X S+ 0 0 35 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.938 112.3 44.8 -64.2 -48.7 9.6 8.2 -32.2 182 68 B I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.951 114.8 49.4 -59.3 -53.5 10.0 4.7 -33.7 183 69 B L H X S+ 0 0 16 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.905 114.1 44.5 -48.2 -51.7 6.5 3.7 -32.5 184 70 B S H X S+ 0 0 53 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.853 112.0 51.4 -72.7 -36.1 4.8 6.9 -34.0 185 71 B M H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.935 111.6 48.4 -60.2 -48.4 6.7 6.7 -37.3 186 72 B I H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.915 114.5 45.1 -61.3 -44.1 5.6 3.1 -37.7 187 73 B F H X S+ 0 0 27 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.791 106.9 57.6 -74.3 -27.9 1.9 3.8 -36.9 188 74 B R H X S+ 0 0 133 -4,-2.0 4,-3.8 2,-0.2 5,-0.4 0.900 103.8 55.9 -61.3 -41.9 1.8 6.9 -39.1 189 75 B R H X S+ 0 0 22 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.922 106.7 49.1 -52.9 -48.6 2.8 4.5 -41.9 190 76 B F H < S+ 0 0 13 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 120.1 38.3 -62.1 -32.2 -0.2 2.4 -41.1 191 77 B T H < S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.951 120.9 36.9 -82.4 -50.1 -2.4 5.5 -41.1 192 78 B E H < S+ 0 0 73 -4,-3.8 2,-0.2 -5,-0.1 -3,-0.2 0.778 98.9 76.4 -84.2 -33.3 -1.2 7.6 -43.9 193 79 B K < + 0 0 41 -4,-1.5 2,-0.3 -5,-0.4 5,-0.0 -0.524 55.2 159.9 -81.1 148.3 -0.2 5.2 -46.6 194 80 B A > - 0 0 58 -2,-0.2 3,-1.9 42,-0.0 4,-0.1 -0.975 45.2 -10.6-158.9 165.5 -2.7 3.5 -48.8 195 81 B G G > S+ 0 0 22 42,-0.4 3,-1.4 -2,-0.3 45,-0.1 -0.149 128.6 21.2 49.3-114.3 -3.2 1.7 -52.2 196 82 B S G 3 S+ 0 0 78 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.493 117.7 68.0 -65.0 -5.3 -0.1 2.0 -54.4 197 83 B E G X> + 0 0 85 -3,-1.9 3,-1.1 1,-0.2 4,-1.0 0.078 62.3 120.1 -98.4 22.2 2.0 2.8 -51.3 198 84 B W H <> + 0 0 16 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.739 60.3 70.0 -59.4 -27.2 1.6 -0.7 -50.0 199 85 B R H 3> S+ 0 0 88 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.877 98.4 48.6 -60.0 -38.5 5.4 -1.3 -50.1 200 86 B Q H <> S+ 0 0 28 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.883 112.4 47.8 -72.7 -34.7 5.9 1.1 -47.2 201 87 B I H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.916 112.9 49.4 -66.2 -43.4 3.2 -0.6 -45.1 202 88 B Y H X S+ 0 0 49 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.917 114.5 43.2 -63.9 -45.7 4.6 -4.0 -45.9 203 89 B K H X S+ 0 0 1 -4,-2.5 4,-2.1 -49,-0.2 -1,-0.2 0.822 110.2 57.0 -71.8 -30.1 8.1 -3.0 -44.9 204 90 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.920 106.3 50.2 -62.9 -42.6 6.8 -1.2 -41.8 205 91 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.866 108.7 53.2 -62.0 -35.9 5.2 -4.5 -40.7 206 92 B Q H X S+ 0 0 51 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.884 108.7 48.5 -63.8 -45.8 8.5 -6.3 -41.3 207 93 B L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.939 110.5 51.9 -58.7 -46.8 10.4 -3.8 -39.1 208 94 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.946 109.0 50.0 -60.4 -47.8 7.7 -4.2 -36.4 209 95 B D H X S+ 0 0 33 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.907 111.4 49.1 -51.8 -48.2 8.1 -8.0 -36.5 210 96 B Y H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.909 110.1 51.1 -59.8 -44.3 11.9 -7.6 -36.2 211 97 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.839 105.8 54.8 -65.8 -34.2 11.5 -5.2 -33.3 212 98 B I H < S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.2 41.2 -64.1 -34.8 9.2 -7.6 -31.4 213 99 B K H < S+ 0 0 44 -4,-1.4 -187,-0.4 -5,-0.2 -2,-0.2 0.791 132.4 18.7 -84.1 -28.1 11.8 -10.3 -31.7 214 100 B H H < S+ 0 0 33 -4,-1.9 -187,-0.2 -189,-0.1 -186,-0.2 0.616 107.3 79.0-119.7 -20.9 15.0 -8.2 -31.0 215 101 B G S < S- 0 0 0 -4,-2.4 -190,-0.1 -5,-0.3 -44,-0.1 -0.043 87.0 -55.1 -91.2-169.4 13.9 -5.0 -29.2 216 102 B S >> - 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0 0 23 -3,-1.5 2,-0.4 11,-0.1 15,-0.3 -0.240 32.7-168.2 -49.2 123.1 -6.1 -3.5 -46.5 237 123 B H + 0 0 132 13,-0.1 -42,-0.4 14,-0.0 2,-0.2 -0.956 18.1 153.8-124.1 136.1 -7.1 -3.8 -50.2 238 124 B Y - 0 0 45 -2,-0.4 9,-2.5 -44,-0.1 8,-1.8 -0.723 17.1-175.3-166.5 118.1 -5.1 -3.0 -53.3 239 125 B I B -B 245 0B 73 6,-0.2 6,-0.2 -2,-0.2 -43,-0.1 -0.963 28.0-138.5-112.3 127.3 -5.1 -4.3 -56.9 240 126 B D > - 0 0 19 4,-3.0 3,-2.5 -2,-0.5 4,-0.0 -0.115 33.1 -80.4 -83.5 177.9 -2.3 -2.9 -59.1 241 127 B S T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.666 129.1 48.7 -45.4 -28.4 -2.1 -1.6 -62.7 242 128 B Q T 3 S- 0 0 140 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.135 121.8-101.2-104.9 19.3 -1.9 -5.2 -64.0 243 129 B G S < S+ 0 0 58 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.542 76.3 143.9 75.1 7.9 -4.8 -6.6 -62.0 244 130 B R - 0 0 130 1,-0.1 -4,-3.0 -4,-0.0 2,-0.9 -0.661 53.1-125.7 -86.8 132.4 -2.4 -8.2 -59.5 245 131 B D B +B 239 0B 55 -2,-0.4 -6,-0.2 -6,-0.2 4,-0.2 -0.654 41.1 158.3 -78.0 102.9 -3.5 -8.2 -55.8 246 132 B Q >> + 0 0 29 -8,-1.8 3,-1.2 -2,-0.9 4,-0.7 0.638 65.0 76.3 -95.3 -18.8 -0.7 -6.6 -53.8 247 133 B G H >> S+ 0 0 0 -9,-2.5 4,-2.2 1,-0.3 3,-0.8 0.829 84.4 66.6 -57.4 -32.3 -3.0 -5.8 -50.9 248 134 B I H 3> S+ 0 0 74 -10,-0.3 4,-3.0 1,-0.2 5,-0.3 0.833 89.8 63.1 -62.1 -30.9 -2.8 -9.5 -49.9 249 135 B N H <> S+ 0 0 49 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.880 108.8 42.1 -61.6 -36.0 0.9 -9.1 -49.1 250 136 B V H < S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.2 7,-0.4 0.960 115.8 49.1 -63.2 -55.4 2.4 -13.4 -32.8 261 147 B L H 3< S+ 0 0 0 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.782 108.3 53.5 -60.8 -34.2 1.7 -10.2 -30.9 262 148 B S T 3< S+ 0 0 64 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.3 0.219 100.3 69.8 -90.4 15.3 -1.5 -11.5 -29.2 263 149 B D <> - 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