==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 08-AUG-05 2ALZ . COMPND 2 MOLECULE: 5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.T.NAIR,R.E.JOHNSON,L.PRAKASH,S.PRAKASH,A.K.AGGARWAL . 373 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 13.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 2 2 0 2 2 1 0 1 1 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 2 2 1 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 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 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 25 A A 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.5 27.4 29.4 -4.0 2 26 A S + 0 0 112 1,-0.2 2,-0.3 0, 0.0 0, 0.0 0.667 360.0 53.5-117.6 -81.2 24.0 28.8 -5.7 3 27 A S - 0 0 72 1,-0.1 2,-0.2 106,-0.0 -1,-0.2 -0.388 66.2-162.0 -69.7 126.4 21.9 25.5 -5.4 4 28 A R - 0 0 46 173,-0.5 2,-0.4 -2,-0.3 -1,-0.1 -0.580 24.4-148.4-112.8 161.3 21.1 24.3 -2.0 5 29 A V + 0 0 5 -2,-0.2 103,-2.9 143,-0.0 104,-0.5 -0.966 30.8 173.8-122.0 107.5 20.0 21.2 -0.1 6 30 A I E -AB 107 176A 0 170,-2.3 170,-2.1 -2,-0.4 2,-0.4 -0.900 16.9-154.7-118.0 141.4 17.9 22.2 2.9 7 31 A V E -AB 106 175A 0 99,-2.6 99,-1.7 -2,-0.4 2,-0.5 -0.933 1.7-157.7-113.5 142.0 16.1 20.0 5.3 8 32 A H E -AB 105 174A 0 166,-2.2 166,-1.6 -2,-0.4 2,-0.5 -0.973 10.4-160.8-113.3 124.4 13.1 21.0 7.5 9 33 A V E +AB 104 173A 1 95,-3.1 95,-1.6 -2,-0.5 2,-0.5 -0.871 11.9 177.3-109.4 126.3 12.5 18.9 10.5 10 34 A D E -AB 103 172A 40 162,-3.3 162,-3.2 -2,-0.5 93,-0.2 -0.949 20.4-137.4-137.4 109.5 9.0 19.0 12.1 11 35 A L E > - B 0 171A 7 91,-2.0 3,-0.5 -2,-0.5 160,-0.3 -0.344 24.3-101.3 -71.3 148.0 8.1 16.8 15.1 12 36 A D T 3 S- 0 0 9 158,-1.8 5,-0.4 1,-0.2 158,-0.2 -0.537 85.7 -32.8 -67.5 134.0 4.9 14.9 15.6 13 37 A C T 3> S- 0 0 12 -2,-0.3 4,-2.2 3,-0.1 3,-0.5 0.684 80.9-163.4 19.5 61.3 2.2 16.3 17.9 14 38 A F H <> S+ 0 0 12 -3,-0.5 4,-2.2 1,-0.3 5,-0.2 0.796 74.9 41.2 -45.6 -58.2 5.2 17.7 19.9 15 39 A Y H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.939 117.6 48.8 -61.7 -41.0 3.6 18.5 23.3 16 40 A A H > S+ 0 0 0 -3,-0.5 4,-2.8 1,-0.3 -1,-0.2 0.899 108.7 54.7 -70.1 -38.3 1.5 15.3 23.3 17 41 A Q H X S+ 0 0 17 -4,-2.2 4,-1.4 -5,-0.4 -1,-0.3 0.840 109.3 47.9 -51.5 -43.7 4.7 13.3 22.4 18 42 A V H X S+ 0 0 8 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.914 112.7 47.0 -73.1 -40.7 6.4 14.7 25.4 19 43 A E H X S+ 0 0 21 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.896 110.8 53.2 -60.0 -42.4 3.5 14.0 27.7 20 44 A M H < S+ 0 0 38 -4,-2.8 7,-0.2 1,-0.2 6,-0.2 0.724 108.8 50.1 -64.1 -28.4 3.2 10.4 26.3 21 45 A I H < S+ 0 0 89 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 112.0 47.4 -76.0 -31.8 6.9 9.9 27.1 22 46 A S H < S+ 0 0 61 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.844 126.5 27.0 -77.1 -37.6 6.5 11.2 30.7 23 47 A N >< - 0 0 70 -4,-1.9 3,-2.9 -5,-0.1 -1,-0.3 -0.799 69.1-173.7-126.3 86.1 3.4 9.1 31.4 24 48 A P G > S+ 0 0 82 0, 0.0 3,-3.7 0, 0.0 -1,-0.1 0.845 78.4 76.2 -50.8 -35.2 3.5 6.0 29.1 25 49 A E G 3 S+ 0 0 158 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.592 86.2 65.7 -53.7 -10.7 0.0 5.0 30.3 26 50 A L G X S+ 0 0 15 -3,-2.9 3,-1.0 -6,-0.2 -1,-0.3 0.578 78.9 107.9 -89.1 -9.4 -1.1 7.7 28.0 27 51 A K T < S+ 0 0 116 -3,-3.7 2,-0.3 -4,-0.2 -6,-0.0 -0.172 82.4 15.9 -58.6 163.4 0.1 5.8 24.9 28 52 A D T 3 S+ 0 0 126 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.392 106.8 104.3 50.9 -4.8 -2.5 4.2 22.6 29 53 A K S < S- 0 0 98 -3,-1.0 2,-0.3 -2,-0.3 17,-0.2 -0.824 87.5-104.0 -99.9 141.1 -5.1 6.5 24.2 30 54 A P - 0 0 23 0, 0.0 38,-1.9 0, 0.0 2,-0.4 -0.486 49.2-167.3 -67.8 125.3 -6.4 9.5 22.4 31 55 A L E -f 68 0B 0 -2,-0.3 12,-1.7 36,-0.2 2,-0.4 -0.906 17.5-172.9-120.1 135.8 -4.6 12.4 24.2 32 56 A G E -fG 69 42B 0 36,-2.9 38,-1.6 -2,-0.4 2,-0.5 -0.979 17.9-141.4-125.0 143.0 -5.1 16.1 24.1 33 57 A V E -fG 70 41B 0 8,-2.7 7,-1.9 -2,-0.4 8,-1.0 -0.948 25.5-156.2-104.1 122.6 -2.8 18.8 25.7 34 58 A Q E +fG 71 39B 51 36,-3.3 38,-4.7 -2,-0.5 2,-0.3 -0.669 22.5 179.7-106.1 150.6 -4.9 21.6 27.3 35 59 A Q E > S- G 0 38B 47 3,-1.8 3,-2.1 -2,-0.3 2,-0.1 -0.894 73.5 -48.1-144.2 109.8 -4.0 25.2 28.1 36 60 A K T 3 S- 0 0 72 -2,-0.3 37,-0.0 1,-0.3 -1,-0.0 -0.415 124.1 -21.5 58.0-127.4 -7.0 27.0 29.6 37 61 A Y T 3 S+ 0 0 195 -2,-0.1 20,-1.5 -3,-0.1 2,-0.5 0.161 118.8 98.2 -96.4 23.4 -9.9 26.2 27.3 38 62 A L E < -GH 35 56B 62 -3,-2.1 -3,-1.8 18,-0.2 2,-1.1 -0.904 63.0-148.6-119.6 131.8 -7.8 25.3 24.4 39 63 A V E -GH 34 55B 0 16,-3.7 15,-1.9 -2,-0.5 16,-1.2 -0.785 23.9-175.1 -84.3 97.8 -6.8 21.8 23.1 40 64 A V E - 0 0 28 -7,-1.9 14,-0.4 -2,-1.1 2,-0.3 0.932 60.5 -15.5 -70.6 -38.6 -3.5 23.1 21.7 41 65 A T E -G 33 0B 13 -8,-1.0 -8,-2.7 12,-0.2 2,-0.3 -0.968 60.0-157.1-156.4 164.2 -2.5 19.7 20.2 42 66 A C E -G 32 0B 0 -2,-0.3 -10,-0.2 -10,-0.2 -29,-0.1 -0.938 28.4-101.4-144.7 159.0 -3.5 16.0 20.4 43 67 A N > - 0 0 5 -12,-1.7 4,-1.3 -2,-0.3 3,-0.4 -0.238 43.9-100.0 -77.3 171.2 -1.8 12.6 19.6 44 68 A Y H > S+ 0 0 58 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.829 121.8 63.6 -65.9 -26.6 -2.6 10.8 16.3 45 69 A E H >> S+ 0 0 74 1,-0.2 3,-1.1 -16,-0.2 4,-0.6 0.975 107.4 47.0 -59.4 -42.6 -5.0 8.4 18.1 46 70 A A H >4>S+ 0 0 0 -3,-0.4 5,-1.6 1,-0.3 3,-0.8 0.823 102.5 57.6 -59.6 -43.3 -7.0 11.5 18.9 47 71 A R H ><5S+ 0 0 53 -4,-1.3 3,-0.6 1,-0.2 -1,-0.3 0.657 97.8 66.0 -69.9 -13.3 -7.1 13.1 15.5 48 72 A K H <<5S+ 0 0 161 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.850 100.5 49.8 -73.7 -32.6 -8.7 9.9 14.3 49 73 A L T <<5S- 0 0 58 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.222 131.4 -91.1 -86.5 10.1 -11.7 10.6 16.3 50 74 A G T < 5S+ 0 0 24 -3,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.344 76.3 142.2 99.5 -13.4 -12.0 14.2 15.0 51 75 A V < - 0 0 0 -5,-1.6 2,-0.3 12,-0.1 -1,-0.3 -0.452 31.2-168.0 -68.2 126.4 -10.0 16.3 17.5 52 76 A K > - 0 0 139 -2,-0.2 3,-0.8 -11,-0.1 -13,-0.1 -0.820 30.8 -84.7-111.4 167.1 -8.1 19.0 15.6 53 77 A K T 3 S+ 0 0 106 -2,-0.3 -12,-0.2 1,-0.3 -13,-0.2 -0.439 112.6 16.3 -72.3 142.6 -5.3 21.2 16.7 54 78 A L T 3 S+ 0 0 110 -15,-1.9 -1,-0.3 -14,-0.4 2,-0.2 0.866 86.2 149.5 59.0 43.0 -6.5 24.3 18.5 55 79 A M E < -H 39 0B 39 -16,-1.2 -16,-3.7 -3,-0.8 -1,-0.2 -0.677 52.0-109.2 -91.7 158.2 -10.0 23.0 19.1 56 80 A N E > -H 38 0B 79 -18,-0.2 4,-1.6 -2,-0.2 -18,-0.2 -0.537 32.2-107.4 -81.2 159.2 -11.7 24.3 22.3 57 81 A V H > S+ 0 0 11 -20,-1.5 4,-2.6 1,-0.2 5,-0.2 0.897 117.7 55.2 -53.9 -39.8 -12.1 21.8 25.1 58 82 A R H > S+ 0 0 196 1,-0.2 4,-2.7 -21,-0.2 5,-0.3 0.979 109.4 40.6 -61.9 -57.2 -15.8 21.6 24.4 59 83 A D H 4 S+ 0 0 74 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.808 116.5 53.4 -61.0 -28.5 -15.7 20.8 20.7 60 84 A A H X S+ 0 0 0 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.884 112.0 43.7 -69.6 -45.4 -12.9 18.4 21.4 61 85 A K H < S+ 0 0 96 -4,-2.6 -2,-0.2 2,-0.2 6,-0.2 0.805 113.9 47.9 -73.6 -34.0 -14.8 16.6 24.0 62 86 A E T < S+ 0 0 154 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.554 113.6 50.0 -85.3 -6.8 -18.2 16.4 22.1 63 87 A K T 4 S+ 0 0 128 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.600 135.3 9.8 -96.6 -19.8 -16.3 15.2 19.1 64 88 A C >< - 0 0 0 -4,-0.6 3,-1.4 -14,-0.1 -1,-0.2 -0.533 63.6-179.0-161.4 85.2 -14.6 12.7 21.2 65 89 A P T 3 S+ 0 0 106 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.516 81.9 67.7 -67.6 -5.0 -15.9 12.2 24.8 66 90 A Q T 3 S+ 0 0 112 2,-0.1 2,-0.4 -5,-0.0 -5,-0.1 0.303 74.1 131.6 -96.3 13.3 -13.3 9.6 25.5 67 91 A L < - 0 0 15 -3,-1.4 2,-0.2 -6,-0.2 -36,-0.2 -0.505 49.1-144.9 -71.9 116.1 -10.4 12.1 25.3 68 92 A V E -f 31 0B 50 -38,-1.9 -36,-2.9 -2,-0.4 2,-0.4 -0.528 20.2-163.8 -71.5 141.2 -7.7 12.3 28.0 69 93 A L E -f 32 0B 45 -2,-0.2 2,-0.3 -38,-0.2 -36,-0.2 -0.997 12.6-177.4-132.0 135.6 -6.5 15.7 28.7 70 94 A V E -f 33 0B 32 -38,-1.6 -36,-3.3 -2,-0.4 2,-0.4 -0.898 35.2-104.5-124.3 151.5 -3.3 17.0 30.5 71 95 A N E +f 34 0B 87 -2,-0.3 -36,-0.2 -38,-0.2 3,-0.1 -0.612 31.1 178.7 -81.4 130.1 -2.4 20.5 31.2 72 96 A G + 0 0 0 -38,-4.7 -37,-0.1 -2,-0.4 -1,-0.1 -0.020 46.0 112.8-118.7 29.5 0.3 22.1 29.0 73 97 A E + 0 0 78 -39,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.833 67.3 69.2 -66.6 -39.1 0.4 25.6 30.4 74 98 A D - 0 0 108 -3,-0.1 3,-0.3 1,-0.1 4,-0.2 -0.829 64.6-174.3 -84.8 117.8 3.9 25.1 31.8 75 99 A L > + 0 0 44 -2,-0.6 4,-3.0 1,-0.2 5,-0.4 0.386 50.2 109.2 -95.1 0.7 6.3 24.9 28.9 76 100 A T H > S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.858 82.1 41.2 -51.9 -55.0 9.3 24.0 30.8 77 101 A R H > S+ 0 0 99 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.845 114.4 51.7 -59.9 -39.7 9.6 20.4 29.7 78 102 A Y H > S+ 0 0 3 -3,-0.3 4,-3.4 -4,-0.2 -2,-0.2 0.930 110.1 51.0 -64.7 -39.2 8.7 21.2 26.1 79 103 A R H X S+ 0 0 39 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.924 109.1 50.6 -68.2 -38.2 11.3 23.9 26.0 80 104 A E H X S+ 0 0 118 -4,-2.0 4,-1.8 -5,-0.4 -1,-0.2 0.927 112.6 44.2 -63.4 -39.1 13.9 21.6 27.3 81 105 A M H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.887 107.5 62.3 -72.3 -38.6 13.2 18.9 24.8 82 106 A S H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.918 108.1 41.6 -55.1 -38.2 13.0 21.5 22.1 83 107 A Y H X S+ 0 0 57 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.806 107.6 59.8 -82.2 -26.6 16.7 22.5 22.7 84 108 A K H X S+ 0 0 119 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.932 108.5 46.5 -62.5 -40.2 17.8 18.9 23.0 85 109 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.943 112.7 48.0 -66.6 -44.9 16.5 18.4 19.5 86 110 A T H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.919 111.5 51.0 -63.2 -38.6 18.1 21.5 18.0 87 111 A E H X S+ 0 0 119 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.876 108.5 51.3 -68.3 -36.9 21.4 20.7 19.7 88 112 A L H >X S+ 0 0 9 -4,-1.9 3,-1.2 1,-0.2 4,-0.7 0.939 110.9 48.4 -67.1 -42.9 21.4 17.2 18.3 89 113 A L H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.3 3,-1.0 0.882 103.8 62.4 -65.2 -32.5 20.7 18.6 14.8 90 114 A E H 3< S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.790 94.4 63.3 -62.4 -21.1 23.6 21.1 15.3 91 115 A E H << S+ 0 0 150 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.833 101.6 47.8 -72.6 -31.3 25.9 18.2 15.6 92 116 A F H << S- 0 0 55 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.952 138.8 -6.1 -73.8 -47.5 25.3 17.1 12.0 93 117 A S < - 0 0 19 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.977 67.6-132.5-151.5 131.4 25.8 20.7 10.8 94 118 A P S S+ 0 0 91 0, 0.0 2,-1.4 0, 0.0 -4,-0.1 0.763 86.0 80.2 -58.5 -27.8 26.3 23.8 12.9 95 119 A V + 0 0 52 12,-0.2 12,-0.9 176,-0.1 2,-0.5 -0.607 57.2 158.3 -94.1 91.8 23.9 26.1 11.2 96 120 A V E -C 106 0A 0 -2,-1.4 176,-2.0 10,-0.2 2,-0.5 -0.918 24.5-157.4-113.4 136.0 20.4 25.2 12.5 97 121 A E E -C 105 0A 37 8,-3.0 8,-2.5 -2,-0.5 2,-0.2 -0.933 9.2-150.3-109.7 124.3 17.5 27.5 12.4 98 122 A R E -C 104 0A 30 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.576 12.7-175.0 -87.6 154.3 14.6 27.1 14.8 99 123 A L E >> -C 103 0A 80 4,-2.1 4,-1.0 1,-0.3 3,-0.6 -0.899 67.7 -30.5-141.5 106.3 11.0 28.0 14.1 100 124 A G T 34 S- 0 0 51 -2,-0.3 -1,-0.3 1,-0.2 3,-0.3 -0.246 100.6 -59.0 74.3-167.0 8.7 27.5 17.2 101 125 A F T 34 S+ 0 0 58 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.587 133.5 37.8 -84.8 -11.6 9.6 24.8 19.7 102 126 A D T <4 S+ 0 0 35 -3,-0.6 -91,-2.0 -91,-0.1 2,-0.4 0.360 95.3 80.6-132.4 15.0 9.4 22.0 17.2 103 127 A E E < +AC 10 99A 29 -4,-1.0 -4,-2.1 -3,-0.3 2,-0.4 -0.931 45.3 176.2-119.9 145.1 10.8 23.0 13.8 104 128 A N E -AC 9 98A 3 -95,-1.6 -95,-3.1 -2,-0.4 2,-0.4 -0.998 14.2-156.4-145.8 136.5 14.3 23.2 12.7 105 129 A F E -AC 8 97A 10 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.4 -0.877 13.3-175.5-106.0 145.0 15.9 24.1 9.3 106 130 A V E -AC 7 96A 0 -99,-1.7 -99,-2.6 -2,-0.4 2,-0.8 -0.984 24.1-134.6-141.2 136.5 19.4 22.9 8.5 107 131 A D E +A 6 0A 36 -12,-0.9 3,-0.3 -2,-0.4 4,-0.3 -0.766 23.7 179.1 -92.6 113.9 21.4 23.7 5.4 108 132 A L > + 0 0 0 -103,-2.9 4,-3.1 -2,-0.8 5,-0.3 0.329 47.4 109.1 -99.4 9.4 22.8 20.5 4.3 109 133 A T H > S+ 0 0 38 -104,-0.5 4,-2.0 1,-0.2 5,-0.2 0.910 80.1 42.2 -54.0 -47.3 24.5 21.8 1.3 110 134 A E H > S+ 0 0 175 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.928 115.8 51.9 -69.2 -38.5 28.2 21.5 2.6 111 135 A M H > S+ 0 0 35 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.938 108.2 49.3 -64.7 -46.6 27.4 18.1 4.0 112 136 A V H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.952 111.2 49.7 -57.7 -49.9 26.0 16.7 0.9 113 137 A E H X S+ 0 0 60 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.914 108.3 53.2 -61.6 -33.9 28.9 17.9 -1.2 114 138 A K H X S+ 0 0 145 -4,-1.9 4,-0.7 1,-0.3 -1,-0.2 0.920 109.7 48.8 -68.0 -37.0 31.5 16.4 1.2 115 139 A R H X S+ 0 0 75 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.846 108.3 54.0 -70.9 -28.6 29.7 13.1 1.0 116 140 A L H < S+ 0 0 20 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.789 104.4 54.4 -76.3 -23.8 29.7 13.2 -2.8 117 141 A Q H < S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.647 103.7 56.6 -82.6 -13.7 33.3 13.8 -3.0 118 142 A Q H < S+ 0 0 139 -4,-0.7 2,-0.5 -3,-0.3 -1,-0.2 0.656 88.7 90.1 -88.3 -17.2 34.0 10.7 -1.0 119 143 A L S < S- 0 0 59 -4,-0.6 -4,-0.0 -3,-0.5 5,-0.0 -0.747 77.8-127.6 -85.9 124.0 32.1 8.4 -3.4 120 144 A Q > - 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0 0 34 -3,-1.5 2,-0.2 1,-0.1 -1,-0.2 -0.284 30.3-110.2 -60.9 148.8 8.4 11.6 -9.6 138 162 A S - 0 0 103 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.484 28.8-126.9 -80.6 144.0 11.1 9.5 -11.2 139 163 A I - 0 0 62 -2,-0.2 2,-0.6 59,-0.0 -1,-0.1 -0.661 10.8-154.2 -91.2 154.3 14.7 9.9 -10.3 140 164 A N > - 0 0 85 -2,-0.3 3,-1.9 3,-0.1 6,-0.2 -0.937 1.4-161.3-131.3 105.6 17.3 10.6 -12.8 141 165 A L T 3 S+ 0 0 66 -2,-0.6 -1,-0.1 1,-0.3 -14,-0.1 0.514 90.4 59.6 -65.3 -5.4 20.7 9.4 -11.5 142 166 A L T 3 S+ 0 0 166 -17,-0.0 2,-0.8 -3,-0.0 -1,-0.3 0.485 82.2 97.3-102.7 0.2 22.5 11.5 -14.0 143 167 A D <> - 0 0 38 -3,-1.9 4,-2.2 1,-0.2 3,-0.4 -0.767 64.4-156.6 -84.6 111.4 20.8 14.6 -12.7 144 168 A V H > S+ 0 0 79 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.871 94.3 52.4 -55.9 -33.6 23.3 16.2 -10.3 145 169 A L H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.864 108.2 49.2 -71.5 -34.5 20.5 18.0 -8.5 146 170 A H H > S+ 0 0 4 -3,-0.4 4,-2.6 -6,-0.2 -1,-0.2 0.924 111.0 51.2 -65.9 -43.0 18.6 14.7 -8.0 147 171 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 111.2 46.8 -61.8 -44.1 21.7 13.0 -6.6 148 172 A R H X S+ 0 0 57 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.929 112.2 50.4 -67.4 -40.6 22.3 15.9 -4.1 149 173 A L H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.880 111.2 48.9 -67.7 -39.0 18.7 15.9 -3.0 150 174 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 3,-0.3 0.952 110.4 50.0 -62.2 -43.0 18.7 12.1 -2.5 151 175 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.3 3,-0.5 0.955 110.9 51.2 -59.6 -40.6 22.0 12.3 -0.5 152 176 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.3 -1,-0.3 0.819 104.1 57.0 -63.5 -29.7 20.2 15.0 1.5 153 177 A S H X S+ 0 0 1 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.3 0.860 106.8 50.1 -73.1 -30.3 17.3 12.6 2.0 154 178 A Q H X S+ 0 0 55 -4,-1.9 4,-2.0 -3,-0.5 -2,-0.2 0.888 106.7 51.7 -69.2 -40.1 19.7 10.2 3.6 155 179 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.949 110.7 52.6 -62.1 -42.6 21.2 12.8 5.9 156 180 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.849 106.2 50.5 -52.0 -49.9 17.5 13.5 6.9 157 181 A A H X S+ 0 0 22 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.931 110.3 51.4 -60.2 -41.1 16.8 9.8 7.6 158 182 A E H X S+ 0 0 81 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.947 109.0 50.3 -62.9 -43.9 20.0 9.7 9.8 159 183 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.954 112.1 48.2 -58.8 -39.2 18.8 12.8 11.8 160 184 A R H X S+ 0 0 44 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.890 110.6 49.7 -75.1 -31.4 15.4 11.2 12.3 161 185 A E H X S+ 0 0 105 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.933 113.1 47.6 -67.7 -42.9 16.9 7.9 13.4 162 186 A A H X>S+ 0 0 14 -4,-2.8 4,-3.5 1,-0.2 5,-0.6 0.922 107.6 55.1 -62.4 -42.7 19.2 9.8 15.9 163 187 A M H X5S+ 0 0 1 -4,-3.0 6,-1.9 -5,-0.2 4,-1.5 0.892 115.5 41.8 -57.1 -33.6 16.2 11.9 17.2 164 188 A Y H X5S+ 0 0 125 -4,-1.6 4,-2.4 4,-0.3 -2,-0.2 0.989 119.0 40.7 -76.6 -55.1 14.6 8.6 17.9 165 189 A N H <5S+ 0 0 120 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.812 125.1 35.7 -64.4 -36.1 17.4 6.7 19.3 166 190 A Q H <5S+ 0 0 121 -4,-3.5 -1,-0.2 -5,-0.3 -3,-0.2 0.834 135.9 13.7 -91.6 -34.9 18.9 9.5 21.3 167 191 A L H < S- 0 0 12 -172,-0.2 4,-2.1 -175,-0.1 5,-0.2 -0.953 84.6-100.9-151.1 172.5 15.1 26.2 -0.3 179 203 A K H > S+ 0 0 25 86,-0.4 4,-2.1 88,-0.4 5,-0.2 0.881 116.2 54.5 -66.7 -41.4 13.4 26.8 3.0 180 204 A L H > S+ 0 0 8 85,-0.2 4,-2.2 1,-0.2 5,-0.2 0.976 114.1 40.8 -56.6 -50.8 9.9 27.4 1.7 181 205 A L H > S+ 0 0 6 82,-0.3 4,-3.8 1,-0.2 5,-0.2 0.879 111.3 55.6 -65.7 -43.2 9.8 24.1 -0.3 182 206 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -174,-0.3 0.916 113.3 42.5 -60.2 -41.0 11.4 22.0 2.4 183 207 A K H X S+ 0 0 52 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.909 113.7 50.0 -75.2 -35.9 8.8 23.1 4.9 184 208 A L H >< S+ 0 0 26 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.930 115.6 44.1 -67.3 -38.1 5.9 22.8 2.4 185 209 A V H >< S+ 0 0 0 -4,-3.8 3,-1.2 1,-0.2 4,-0.3 0.707 97.0 73.0 -86.1 -13.2 7.0 19.2 1.5 186 210 A S H 3< S+ 0 0 3 -4,-1.2 3,-0.2 1,-0.3 -1,-0.2 0.735 97.7 52.2 -69.9 -20.1 7.8 18.0 5.1 187 211 A G T << S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.6 3,-0.3 0.536 79.4 92.5 -91.1 -2.2 4.0 17.8 5.7 188 212 A V S < S+ 0 0 55 -3,-1.2 2,-0.5 1,-0.2 -1,-0.1 0.890 96.2 34.9 -64.0 -33.6 3.0 15.7 2.6 189 213 A F S S- 0 0 74 -4,-0.3 4,-0.4 -3,-0.2 -1,-0.2 -0.884 88.2-165.9-124.4 100.9 3.3 12.4 4.6 190 214 A K + 0 0 92 -2,-0.5 3,-0.4 -3,-0.3 -1,-0.2 0.835 55.9 51.7 -74.1 -61.2 2.2 13.4 8.0 191 215 A P S S- 0 0 56 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 0.954 121.5 -28.4 -62.0 -86.7 2.8 11.1 10.7 192 216 A N S S+ 0 0 78 -20,-0.1 2,-0.3 -181,-0.1 -20,-0.2 -0.565 103.2 97.3-134.9 75.4 6.5 9.9 11.0 193 217 A Q - 0 0 64 -2,-0.6 -20,-1.2 -4,-0.4 2,-0.3 -0.911 56.4-129.2-147.4 178.6 7.9 10.0 7.6 194 218 A Q E - e 0 173A 3 -2,-0.3 -62,-2.7 -22,-0.2 2,-0.3 -0.975 12.3-165.0-144.9 150.7 10.0 12.1 5.2 195 219 A T E -de 132 174A 2 -22,-1.6 -20,-2.1 -2,-0.3 2,-0.4 -0.979 8.7-147.8-138.9 144.9 9.6 13.3 1.7 196 220 A V E -de 133 175A 1 -64,-1.9 -62,-2.8 -2,-0.3 2,-0.7 -0.940 11.0-143.2-121.0 138.0 12.0 14.8 -0.8 197 221 A L - 0 0 5 -22,-3.1 -20,-0.1 -2,-0.4 -62,-0.1 -0.876 8.5-157.8-104.6 114.4 11.2 17.3 -3.5 198 222 A L > - 0 0 0 -2,-0.7 3,-2.4 -64,-0.3 4,-0.3 -0.651 31.1-113.5 -83.0 151.2 12.8 17.1 -6.9 199 223 A P G > S+ 0 0 53 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.871 110.6 67.3 -53.9 -39.5 12.9 20.4 -8.9 200 224 A E G 3 S+ 0 0 114 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.714 102.8 47.7 -58.5 -11.9 10.5 19.1 -11.7 201 225 A S G <> S+ 0 0 5 -3,-2.4 4,-2.6 1,-0.1 -1,-0.3 0.374 76.2 103.7-114.7 8.0 7.7 19.0 -9.1 202 226 A C H <> S+ 0 0 21 -3,-2.0 4,-2.4 -4,-0.3 5,-0.3 0.935 84.3 47.0 -50.1 -48.9 8.0 22.4 -7.5 203 227 A Q H > S+ 0 0 79 -4,-0.4 4,-3.4 2,-0.2 -1,-0.2 0.917 109.3 54.4 -65.7 -40.8 5.0 23.8 -9.3 204 228 A H H > S+ 0 0 94 1,-0.2 4,-1.1 -4,-0.2 -1,-0.2 0.972 111.2 46.5 -60.7 -46.0 2.8 20.8 -8.6 205 229 A L H < S+ 0 0 4 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.913 114.7 44.6 -57.7 -45.0 3.6 21.2 -4.8 206 230 A I H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.877 113.9 50.1 -78.6 -33.6 2.9 24.9 -4.7 207 231 A H H 3< S+ 0 0 52 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.631 95.2 73.0 -79.6 -5.0 -0.3 24.5 -6.8 208 232 A S T 3< S+ 0 0 55 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.675 77.7 98.4 -77.3 -21.7 -1.4 21.8 -4.5 209 233 A L < - 0 0 23 -3,-1.2 25,-0.3 -4,-0.4 3,-0.1 -0.378 66.7-149.6 -60.5 150.7 -2.1 24.5 -1.9 210 234 A N S S+ 0 0 140 1,-0.3 2,-0.3 23,-0.1 -1,-0.1 0.593 74.4 9.3-102.1 -4.1 -5.8 25.7 -1.6 211 235 A H S > S- 0 0 52 22,-0.1 3,-1.8 1,-0.0 -1,-0.3 -0.925 73.8-111.2-171.2 149.1 -5.2 29.2 -0.6 212 236 A I G > S+ 0 0 0 20,-1.0 3,-1.3 1,-0.3 6,-0.2 0.553 106.9 74.8 -66.9 -13.8 -2.3 31.7 -0.2 213 237 A K G 3 S+ 0 0 121 1,-0.3 -1,-0.3 10,-0.1 4,-0.1 0.545 86.7 67.3 -72.5 -2.0 -2.6 31.8 3.5 214 238 A E G < S+ 0 0 96 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.667 77.1 95.0 -90.1 -15.1 -1.0 28.4 3.3 215 239 A I S X S- 0 0 1 -3,-1.3 3,-2.6 -4,-0.1 2,-0.1 -0.618 88.6-116.4 -75.3 116.6 2.2 29.8 2.0 216 240 A P T 3 S+ 0 0 46 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.403 104.8 36.8 -47.5 119.2 4.6 30.4 5.0 217 241 A G T 3 S+ 0 0 56 -4,-0.1 2,-1.0 1,-0.1 40,-0.1 -0.175 93.6 92.9 118.4 -32.1 5.1 34.1 5.2 218 242 A I < - 0 0 5 -3,-2.6 -1,-0.1 -6,-0.2 -3,-0.0 -0.770 61.8-179.6 -95.7 109.4 1.5 35.1 4.2 219 243 A G > - 0 0 33 -2,-1.0 4,-2.1 -3,-0.1 5,-0.2 -0.155 45.9 -71.2 -97.0-165.8 -0.3 35.6 7.4 220 244 A Y H > S+ 0 0 174 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.859 128.4 47.1 -50.2 -41.1 -3.8 36.5 8.7 221 245 A K H >> S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.994 112.8 40.7 -69.8 -71.1 -3.2 40.1 7.6 222 246 A T H 3> S+ 0 0 26 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.833 110.2 64.4 -45.6 -33.0 -1.8 39.9 4.0 223 247 A A H 3X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.932 105.2 40.7 -57.1 -53.2 -4.3 37.1 3.4 224 248 A K H <>S+ 0 0 1 -4,-3.2 5,-1.9 1,-0.2 3,-0.9 0.845 109.8 55.0 -65.0 -32.7 -4.8 39.8 -1.1 227 251 A E H ><5S+ 0 0 62 -4,-1.9 3,-3.9 1,-0.3 -1,-0.2 0.931 93.8 65.0 -61.1 -48.7 -8.4 38.8 -1.1 228 252 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.720 104.7 50.5 -51.5 -20.3 -9.7 42.3 -1.3 229 253 A L T <<5S- 0 0 43 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.224 122.9-101.7-102.4 14.8 -8.0 42.3 -4.7 230 254 A G T < 5S+ 0 0 45 -3,-3.9 2,-0.8 1,-0.2 -3,-0.2 0.333 77.5 137.9 84.7 -12.9 -9.4 39.2 -6.0 231 255 A I < + 0 0 0 -5,-1.9 -1,-0.2 1,-0.2 -2,-0.2 -0.594 12.8 139.0 -74.3 104.2 -6.2 37.1 -5.4 232 256 A N + 0 0 73 -2,-0.8 -20,-1.0 -3,-0.1 -1,-0.2 0.801 52.2 49.2-114.7 -43.7 -7.4 33.8 -4.0 233 257 A S S > S- 0 0 45 -22,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.484 87.6-108.5 -91.5 165.3 -5.4 30.9 -5.4 234 258 A V H > S+ 0 0 3 -25,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.818 121.0 56.1 -59.3 -32.7 -1.6 30.7 -5.6 235 259 A R H > S+ 0 0 133 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.840 102.2 54.9 -66.9 -39.5 -2.0 31.1 -9.4 236 260 A D H > S+ 0 0 59 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.987 111.5 46.0 -55.2 -48.7 -3.9 34.4 -9.0 237 261 A L H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.909 111.5 51.2 -64.1 -43.8 -1.0 35.6 -6.9 238 262 A Q H 3< S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.941 119.4 35.4 -56.1 -48.5 1.5 34.3 -9.4 239 263 A T H 3< S+ 0 0 105 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.373 91.3 115.0 -89.4 -1.6 -0.2 36.1 -12.3 240 264 A F S << S- 0 0 45 -4,-0.9 3,-0.1 -3,-0.7 -3,-0.0 -0.325 80.4 -85.2 -68.8 164.9 -1.3 39.2 -10.4 241 265 A S > - 0 0 43 1,-0.1 4,-2.0 2,-0.0 5,-0.3 -0.543 27.7-150.0 -77.3 124.3 0.2 42.6 -11.4 242 266 A P H > S+ 0 0 65 0, 0.0 4,-4.7 0, 0.0 5,-0.3 0.969 96.6 49.7 -55.8 -52.4 3.5 43.4 -9.8 243 267 A K H > S+ 0 0 162 1,-0.2 4,-3.7 2,-0.2 -2,-0.0 0.933 112.5 44.4 -50.3 -54.3 2.8 47.2 -9.9 244 268 A I H 4 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.800 122.7 39.9 -67.8 -26.2 -0.7 47.0 -8.3 245 269 A L H >X S+ 0 0 2 -4,-2.0 3,-1.3 -3,-0.3 4,-0.9 0.868 112.9 54.7 -82.1 -44.8 0.7 44.6 -5.7 246 270 A E H >X S+ 0 0 71 -4,-4.7 4,-1.6 1,-0.3 2,-1.1 0.967 111.7 47.3 -52.1 -52.9 4.0 46.4 -5.3 247 271 A K H 3< S+ 0 0 81 -4,-3.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.184 111.0 47.6 -89.7 51.9 2.0 49.5 -4.6 248 272 A E H <4 S+ 0 0 123 -3,-1.3 -1,-0.2 -2,-1.1 -2,-0.2 0.277 124.1 24.8-162.8 -8.8 -0.4 48.1 -2.1 249 273 A L H << S- 0 0 40 -3,-0.9 4,-0.5 -4,-0.9 -2,-0.2 0.417 117.5 -98.3-137.6 -12.2 1.8 46.1 0.3 250 274 A G X - 0 0 37 -4,-1.6 4,-2.1 -5,-0.4 5,-0.3 0.075 41.9 -80.7 101.8 147.7 5.0 48.0 -0.3 251 275 A I H > S+ 0 0 94 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.757 129.6 51.1 -50.4 -25.0 7.7 46.8 -2.6 252 276 A S H > S+ 0 0 81 2,-0.2 4,-2.2 3,-0.2 5,-0.4 0.985 110.2 41.0 -77.9 -72.9 8.9 44.5 0.2 253 277 A V H > S+ 0 0 41 -4,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.803 125.0 43.9 -40.4 -35.2 5.8 42.6 1.3 254 278 A A H X S+ 0 0 3 -4,-2.1 4,-1.4 -8,-0.2 -1,-0.2 0.858 110.6 45.8 -85.1 -42.5 4.9 42.4 -2.4 255 279 A Q H X S+ 0 0 121 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.816 117.7 48.2 -80.1 -20.9 8.0 41.5 -4.3 256 280 A R H X S+ 0 0 118 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.933 109.7 46.2 -81.7 -45.9 8.7 38.9 -1.7 257 281 A I H X S+ 0 0 1 -4,-1.3 4,-1.8 -5,-0.4 -2,-0.2 0.790 108.6 58.8 -73.2 -18.0 5.4 37.1 -1.4 258 282 A Q H X S+ 0 0 32 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.902 103.9 50.4 -73.9 -40.1 5.1 37.0 -5.1 259 283 A K H >X>S+ 0 0 94 -4,-1.2 5,-2.0 1,-0.2 3,-1.6 0.947 108.4 53.5 -58.4 -43.6 8.4 35.1 -5.3 260 284 A L H ><5S+ 0 0 11 -4,-2.2 3,-2.9 1,-0.3 -2,-0.2 0.923 97.9 63.2 -58.8 -37.7 7.0 32.7 -2.7 261 285 A S H 3<5S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 106.2 47.3 -62.8 -23.8 3.9 32.1 -4.9 262 286 A F H <<5S- 0 0 68 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.471 121.1-108.8 -85.9 -6.7 6.3 30.7 -7.4 263 287 A G T <<5S+ 0 0 3 -3,-2.9 2,-0.3 -4,-0.5 -82,-0.3 0.531 77.2 134.9 86.3 7.0 8.2 28.5 -4.9 264 288 A E < + 0 0 94 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.666 19.2 153.8 -94.3 137.2 11.2 30.8 -5.1 265 289 A D - 0 0 32 -2,-0.3 -86,-0.4 -3,-0.1 -85,-0.2 -0.602 20.8-179.1-170.2 106.1 12.8 31.8 -1.8 266 290 A N + 0 0 140 -2,-0.2 -1,-0.1 -88,-0.1 -2,-0.0 0.355 35.8 132.6 -99.2 0.6 16.4 32.8 -1.3 267 291 A S - 0 0 35 1,-0.1 -88,-0.4 3,-0.0 2,-0.1 -0.215 55.1-126.0 -54.1 131.5 16.4 33.4 2.4 268 292 A P - 0 0 77 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.466 23.8-102.5 -79.6 153.9 19.4 31.7 4.0 269 293 A V - 0 0 9 -2,-0.1 2,-0.4 -174,-0.0 -162,-0.1 -0.807 46.9-148.8 -75.6 116.3 19.1 29.2 7.0 270 294 A I - 0 0 92 -2,-0.8 2,-0.3 -172,-0.1 -172,-0.1 -0.730 15.2-110.2 -90.5 147.0 20.1 31.4 9.9 271 295 A L - 0 0 94 -2,-0.4 -174,-0.2 1,-0.2 -176,-0.1 -0.458 28.5-169.0 -70.0 119.7 21.9 30.3 13.1 272 296 A S + 0 0 43 -176,-2.0 -1,-0.2 -2,-0.3 -175,-0.1 0.886 20.7 166.5 -81.4 -34.9 19.4 30.6 15.9 273 297 A G - 0 0 23 -177,-0.4 -175,-0.1 3,-0.0 3,-0.1 -0.092 53.7 -7.7 48.8-147.7 21.8 30.1 18.8 274 298 A P S S- 0 0 67 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.339 93.3 -85.3 -74.5 159.6 20.6 31.0 22.3 275 299 A P - 0 0 32 0, 0.0 99,-0.1 0, 0.0 3,-0.1 -0.188 20.4-142.5 -63.9 155.5 17.3 32.8 22.6 276 300 A Q S S+ 0 0 148 1,-0.1 97,-0.7 -3,-0.1 98,-0.3 0.310 84.8 17.3 -95.2 -1.4 17.0 36.6 22.3 277 301 A S E -I 372 0C 62 95,-0.2 2,-0.3 96,-0.1 95,-0.2 -0.993 55.5-155.4-164.9 166.1 14.3 36.6 25.0 278 302 A F E +I 371 0C 20 93,-1.8 93,-3.5 -2,-0.3 2,-0.3 -0.951 27.2 164.4-147.7 123.0 12.7 34.7 27.9 279 303 A S E -I 370 0C 49 -2,-0.3 2,-0.4 91,-0.3 91,-0.2 -0.982 23.5-155.8-142.5 158.8 9.1 35.4 29.0 280 304 A E E -I 369 0C 38 89,-1.7 89,-2.3 -2,-0.3 2,-0.4 -0.942 13.7-163.2-128.1 150.2 6.3 33.9 31.0 281 305 A E E -I 368 0C 131 -2,-0.4 2,-0.4 87,-0.2 87,-0.2 -0.993 3.7-164.2-140.1 132.7 2.7 34.6 30.5 282 306 A D E -I 367 0C 42 85,-3.0 85,-1.5 -2,-0.4 2,-0.4 -0.979 8.2-155.6-119.6 145.8 -0.3 34.0 32.8 283 307 A S E +I 366 0C 33 -2,-0.4 83,-0.2 83,-0.2 2,-0.1 -0.896 28.3 149.1-125.0 140.6 -3.9 34.2 31.8 284 308 A F >> - 0 0 17 81,-0.9 3,-1.4 -2,-0.4 4,-0.5 -0.573 37.0-143.0-168.0 83.6 -7.0 34.8 33.9 285 309 A K T 34 S- 0 0 121 1,-0.3 81,-0.1 -2,-0.1 39,-0.1 -0.484 83.9 -1.5 -61.2 126.5 -9.7 36.5 31.8 286 310 A K T 34 S+ 0 0 194 -2,-0.2 -1,-0.3 2,-0.1 80,-0.1 0.254 106.6 100.6 78.8 -7.0 -11.5 39.0 33.9 287 311 A C T <4 + 0 0 94 -3,-1.4 2,-1.1 78,-0.3 -2,-0.1 0.602 50.2 96.6 -85.3 -10.7 -9.6 38.3 37.0 288 312 A S < - 0 0 25 -4,-0.5 -2,-0.1 1,-0.2 -1,-0.1 -0.718 47.8-176.5 -87.5 99.9 -7.2 41.2 37.0 289 313 A S - 0 0 67 -2,-1.1 -1,-0.2 1,-0.1 -2,-0.0 0.887 47.2-110.8 -54.8 -50.2 -8.7 44.0 39.2 290 314 A E S S+ 0 0 153 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.606 104.9 23.9 109.1 33.9 -5.9 46.5 38.3 291 315 A V S S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.105 113.7 60.8-169.7 -36.2 -4.2 46.6 41.7 292 316 A E S > S+ 0 0 73 1,-0.2 2,-1.0 2,-0.1 3,-0.6 0.737 97.8 73.6 -68.0 -18.8 -5.1 43.3 43.4 293 317 A A T 3 + 0 0 7 1,-0.2 -1,-0.2 2,-0.1 -5,-0.0 -0.744 63.7 86.9-104.7 88.3 -3.3 41.8 40.4 294 318 A K T 3> S+ 0 0 64 -2,-1.0 4,-1.4 -3,-0.1 3,-0.4 0.255 71.7 75.0-143.1 -29.1 0.5 42.3 40.9 295 319 A N H <> S+ 0 0 103 -3,-0.6 4,-1.6 1,-0.3 3,-0.4 0.887 90.5 61.0 -56.7 -37.1 1.1 39.3 42.9 296 320 A K H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.912 99.2 57.6 -53.4 -42.4 0.8 37.5 39.5 297 321 A I H > S+ 0 0 3 -3,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.850 103.3 49.9 -60.8 -35.7 3.8 39.6 38.4 298 322 A E H X S+ 0 0 79 -4,-1.4 4,-1.8 -3,-0.4 -1,-0.3 0.840 107.0 58.7 -70.7 -32.6 5.9 38.2 41.2 299 323 A E H >X S+ 0 0 118 -4,-1.6 4,-1.2 -3,-0.4 3,-0.6 0.994 107.7 44.6 -54.7 -63.8 4.7 34.7 40.0 300 324 A L H 3X S+ 0 0 6 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.905 112.6 52.4 -48.9 -47.0 6.1 35.2 36.6 301 325 A L H 3X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.841 97.4 64.1 -59.9 -38.5 9.4 36.7 37.9 302 326 A A H > - 0 0 66 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.018 25.0-123.5 -42.6 127.8 19.5 48.8 36.7 342 366 A S H 3> S+ 0 0 104 1,-0.3 4,-0.8 2,-0.2 -2,-0.0 0.729 111.0 51.7 -45.8 -31.6 23.1 47.6 36.5 343 367 A H H 34 S+ 0 0 87 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.864 107.1 53.8 -74.4 -37.5 23.2 46.8 40.3 344 368 A V H <4 S+ 0 0 36 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.806 97.9 69.3 -67.0 -27.2 20.1 44.7 39.8 345 369 A I H < 0 0 45 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.888 360.0 360.0 -66.4 -40.9 21.9 42.8 37.1 346 370 A Q < 0 0 212 -4,-0.8 -2,-0.1 -3,-0.4 -3,-0.1 0.866 360.0 360.0 -81.7 360.0 24.3 41.1 39.2 347 ! 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 0.0 348 379 A V > 0 0 101 0, 0.0 4,-0.7 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -39.1 17.7 40.0 43.7 349 380 A M H > + 0 0 55 2,-0.1 4,-1.8 1,-0.1 -48,-0.0 0.891 360.0 73.6 -74.8 -44.9 13.9 39.6 43.5 350 381 A T H > S+ 0 0 117 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.841 101.0 36.5 -43.0 -64.4 12.9 42.5 45.7 351 382 A P H >> S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 3,-1.4 0.956 107.8 64.5 -54.8 -56.0 13.8 45.5 43.5 352 383 A M H 3X S+ 0 0 16 -4,-0.7 4,-2.8 1,-0.3 5,-0.3 0.825 97.7 57.9 -35.0 -49.6 12.6 43.9 40.2 353 384 A V H 3X S+ 0 0 13 -4,-1.8 4,-2.9 1,-0.2 -1,-0.3 0.938 107.3 47.0 -50.6 -49.5 9.2 43.9 41.6 354 385 A D H