==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER (HYDROLASE,LYASE)/DNA 29-JUL-09 3IH7 . COMPND 2 MOLECULE: N-GLYCOSYLASE/DNA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.L.VERDINE,C.M.CRENSHAW,K.S.OO,P.S.KUTCHUKIAN . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 66.5 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 . 27 8.6 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 1 1 0 4 2 1 0 1 1 2 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 . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 10 A E 0 0 147 0, 0.0 2,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 121.9 25.6 -15.3 38.1 2 11 A F + 0 0 186 2,-0.1 160,-0.1 160,-0.0 0, 0.0 -0.657 360.0 38.0-126.2-178.9 25.2 -12.3 40.3 3 12 A G S S- 0 0 13 -2,-0.2 2,-0.2 158,-0.2 160,-0.1 -0.119 102.8 -23.1 70.8-171.4 26.0 -8.6 40.4 4 13 A H S S- 0 0 23 158,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.528 72.0-123.0 -74.6 137.6 25.9 -6.2 37.4 5 14 A R - 0 0 30 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.384 20.8-159.7 -79.4 155.3 26.2 -7.9 34.0 6 15 A T > - 0 0 31 -2,-0.1 4,-1.9 1,-0.1 8,-0.0 -0.914 32.2-113.8-127.5 160.8 28.8 -7.1 31.4 7 16 A L T 4 S+ 0 0 51 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.824 118.6 44.1 -61.5 -30.1 28.8 -7.8 27.6 8 17 A A T 4 S+ 0 0 85 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.918 111.9 48.6 -80.1 -46.8 31.7 -10.2 28.2 9 18 A S T 4 S+ 0 0 63 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.863 127.8 19.6 -67.0 -38.8 30.5 -12.1 31.3 10 19 A T >< + 0 0 15 -4,-1.9 3,-2.0 1,-0.1 -1,-0.2 -0.428 68.8 159.6-133.0 60.1 26.9 -12.9 30.2 11 20 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.829 70.2 65.0 -51.5 -41.3 26.9 -12.6 26.3 12 21 A A G 3 S+ 0 0 70 1,-0.3 64,-0.4 64,-0.0 -5,-0.1 0.582 98.7 55.8 -63.5 -9.6 23.7 -14.7 25.9 13 22 A L G < S+ 0 0 32 -3,-2.0 2,-0.5 62,-0.1 55,-0.4 0.326 87.2 93.7-107.8 6.7 21.7 -12.1 27.8 14 23 A W < - 0 0 15 -3,-1.9 2,-0.3 62,-0.2 53,-0.2 -0.880 47.4-172.0-109.5 129.0 22.4 -9.0 25.6 15 24 A A E -A 66 0A 13 51,-2.3 51,-3.7 -2,-0.5 2,-0.5 -0.824 17.9-140.3-106.9 156.4 20.3 -7.7 22.7 16 25 A S E -A 65 0A 43 -2,-0.3 49,-0.3 49,-0.3 43,-0.0 -0.964 8.3-154.0-129.6 124.9 21.6 -4.9 20.6 17 26 A I E -A 64 0A 6 47,-2.7 47,-2.3 -2,-0.5 2,-0.1 -0.830 38.6-109.7 -89.4 122.8 19.9 -1.9 19.0 18 27 A P E +A 63 0A 102 0, 0.0 45,-0.3 0, 0.0 -1,-0.0 -0.335 60.5 143.0 -54.6 120.2 21.8 -0.7 15.9 19 28 A C - 0 0 4 43,-1.8 2,-0.2 -2,-0.1 41,-0.2 -0.828 39.8-140.1-167.2 122.7 23.4 2.7 16.8 20 29 A P >> - 0 0 53 0, 0.0 3,-2.1 0, 0.0 4,-1.5 -0.547 29.4-115.7 -85.3 150.4 26.7 4.3 15.9 21 30 A R T 34 S+ 0 0 99 40,-1.2 41,-0.1 1,-0.3 40,-0.1 0.715 116.5 64.6 -56.1 -21.5 28.8 6.3 18.4 22 31 A S T 34 S+ 0 0 51 39,-0.3 96,-1.3 1,-0.2 -1,-0.3 0.794 106.0 42.9 -70.8 -27.5 28.1 9.3 16.2 23 32 A E T <4 S+ 0 0 26 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.774 129.4 13.5 -88.8 -30.2 24.4 9.0 17.0 24 33 A L < - 0 0 0 -4,-1.5 2,-0.5 95,-0.1 -1,-0.3 -0.950 51.8-174.2-154.6 128.2 24.8 8.3 20.7 25 34 A R > - 0 0 39 93,-2.9 3,-2.3 -2,-0.3 4,-0.2 -0.885 7.0-167.8-123.6 98.5 27.6 8.6 23.3 26 35 A L G >> S+ 0 0 2 -2,-0.5 3,-2.1 1,-0.3 4,-2.0 0.895 89.2 56.3 -49.2 -48.3 26.5 7.2 26.7 27 36 A D G 34 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.560 112.7 43.7 -65.9 -6.8 29.6 8.7 28.4 28 37 A L G <4 S+ 0 0 3 -3,-2.3 -1,-0.3 90,-0.2 -2,-0.2 0.240 122.1 35.3-118.6 9.0 28.5 12.1 27.1 29 38 A V T <4>S+ 0 0 0 -3,-2.1 5,-0.6 -4,-0.2 3,-0.4 0.674 110.5 47.5-126.7 -54.6 24.7 11.8 27.8 30 39 A L T ><5S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 5,-0.4 0.917 121.3 33.9 -66.4 -47.8 23.9 9.9 31.0 31 40 A P T 3 5S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.424 95.1 94.8 -86.3 3.2 26.4 11.6 33.4 32 41 A S T 3 5S- 0 0 11 -3,-0.4 -2,-0.1 1,-0.1 4,-0.1 0.522 107.4 -98.9 -76.3 -5.4 25.9 14.9 31.6 33 42 A G T < 5S+ 0 0 11 -3,-0.6 3,-0.1 2,-0.6 -3,-0.1 0.711 98.9 104.4 94.8 22.7 23.3 16.1 34.0 34 43 A Q S S-B 45 0A 26 3,-1.3 3,-3.0 -3,-0.3 -1,-0.1 -0.932 111.3 -80.6-119.5 146.3 31.3 -1.2 35.4 43 52 A P T 3 S- 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.179 116.6 -4.9 -44.0 121.0 33.7 0.4 32.8 44 53 A A T 3 S+ 0 0 52 1,-0.1 2,-0.5 -4,-0.1 15,-0.4 0.587 113.0 110.6 65.1 10.0 31.6 1.5 29.8 45 54 A H E < -B 42 0A 21 -3,-3.0 -3,-1.3 13,-0.1 2,-0.5 -0.929 51.5-165.9-120.2 107.1 28.6 -0.2 31.4 46 55 A W E - C 0 57A 18 11,-2.8 11,-3.2 -2,-0.5 2,-0.3 -0.813 4.8-169.9 -99.3 124.2 25.9 2.2 32.6 47 56 A S E +BC 39 56A 2 -8,-3.3 -8,-2.6 -2,-0.5 2,-0.3 -0.873 23.2 119.2-116.0 145.7 23.2 0.9 34.9 48 57 A G E -BC 38 55A 0 7,-1.7 7,-2.3 -2,-0.3 2,-0.4 -0.973 59.0 -64.4 176.1 174.2 19.9 2.6 36.0 49 58 A V E + C 0 54A 14 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.677 43.3 172.1 -88.2 130.0 16.1 2.5 36.1 50 59 A L S S- 0 0 9 3,-4.2 35,-0.1 -2,-0.4 34,-0.1 -0.960 70.2 -13.7-138.8 118.2 14.2 2.7 32.8 51 60 A A S S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.939 128.9 -51.2 58.2 51.2 10.4 2.2 32.6 52 61 A D S S+ 0 0 124 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.866 125.5 94.3 53.7 40.0 10.2 0.8 36.1 53 62 A Q S S- 0 0 48 17,-0.1 -3,-4.2 2,-0.0 2,-0.4 -0.987 75.5-113.8-156.5 150.5 13.0 -1.7 35.2 54 63 A V E +CD 49 69A 1 15,-1.0 15,-2.4 -2,-0.3 2,-0.3 -0.726 33.9 179.1 -92.5 137.4 16.7 -1.9 35.5 55 64 A W E -CD 48 68A 0 -7,-2.3 -7,-1.7 -2,-0.4 2,-0.4 -0.939 21.7-149.7-130.7 154.2 19.0 -1.9 32.4 56 65 A T E -CD 47 67A 0 11,-1.9 11,-0.9 -2,-0.3 2,-0.4 -0.987 21.6-162.8-123.4 122.3 22.7 -2.0 31.8 57 66 A L E +CD 46 66A 0 -11,-3.2 -11,-2.8 -2,-0.4 2,-0.3 -0.880 18.0 159.2-113.4 131.9 23.9 -0.2 28.6 58 67 A T E - D 0 65A 11 7,-2.0 7,-2.5 -2,-0.4 2,-0.4 -0.987 20.2-150.0-144.1 150.7 27.1 -0.5 26.7 59 68 A Q E - D 0 64A 36 -15,-0.4 5,-0.2 -2,-0.3 2,-0.1 -0.953 10.4-168.5-131.1 142.1 28.0 0.4 23.1 60 69 A T - 0 0 72 3,-2.4 -39,-0.1 -2,-0.4 -1,-0.0 -0.070 55.5 -75.6 -97.3-152.7 30.3 -0.7 20.4 61 70 A E S S+ 0 0 108 1,-0.1 -40,-1.2 -41,-0.1 -39,-0.3 0.813 126.0 10.5 -81.3 -30.6 31.0 1.2 17.2 62 71 A E S S+ 0 0 151 -42,-0.2 -43,-1.8 -41,-0.1 2,-0.3 0.395 122.3 60.8-128.5 -1.4 27.7 0.4 15.4 63 72 A Q E -A 18 0A 83 -45,-0.3 -3,-2.4 2,-0.0 2,-0.5 -0.941 58.1-148.4-132.4 151.0 25.6 -1.2 18.1 64 73 A L E -AD 17 59A 0 -47,-2.3 -47,-2.7 -2,-0.3 2,-0.3 -0.955 24.9-150.7-116.0 110.1 24.1 -0.4 21.5 65 74 A H E -AD 16 58A 19 -7,-2.5 -7,-2.0 -2,-0.5 2,-0.3 -0.613 15.1-172.4 -87.1 138.6 23.9 -3.5 23.7 66 75 A C E -AD 15 57A 0 -51,-3.7 -51,-2.3 -2,-0.3 2,-0.3 -0.962 12.7-176.1-133.2 144.4 21.2 -3.8 26.3 67 76 A T E - D 0 56A 0 -11,-0.9 -11,-1.9 -2,-0.3 2,-0.4 -0.996 12.9-154.8-140.1 137.7 20.4 -6.2 29.1 68 77 A V E - D 0 55A 0 -55,-0.4 2,-0.7 7,-0.4 7,-0.4 -0.907 10.5-155.1-120.1 140.2 17.3 -6.1 31.4 69 78 A Y E D 0 54A 18 -15,-2.4 -15,-1.0 -2,-0.4 5,-0.1 -0.913 360.0 360.0-110.7 104.6 16.6 -7.3 34.9 70 79 A R 0 0 106 -2,-0.7 -17,-0.1 3,-0.2 -2,-0.0 -0.592 360.0 360.0 -80.1 360.0 12.9 -7.9 35.3 71 ! 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 72 83 A S 0 0 173 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 38.0 12.1 -14.4 37.8 73 84 A Q - 0 0 171 1,-0.0 -3,-0.2 2,-0.0 2,-0.1 -0.857 360.0-122.6-105.0 131.8 13.7 -16.0 34.7 74 85 A A + 0 0 73 -2,-0.5 2,-0.3 -5,-0.1 -5,-0.1 -0.434 44.3 147.0 -72.8 141.2 16.7 -14.6 33.0 75 86 A S - 0 0 57 -7,-0.4 -7,-0.4 -2,-0.1 -62,-0.1 -0.943 49.7 -92.9-170.2 148.0 16.4 -13.7 29.3 76 87 A R - 0 0 126 -64,-0.4 -62,-0.2 -2,-0.3 -9,-0.1 -0.341 64.3 -78.3 -64.3 150.4 17.7 -11.2 26.7 77 88 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 -0.110 47.4-122.2 -51.9 143.2 15.4 -8.2 26.1 78 89 A T > - 0 0 55 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.246 28.9-101.2 -77.5 172.1 12.3 -8.7 24.0 79 90 A P H > S+ 0 0 106 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.856 124.8 46.0 -62.6 -34.9 11.6 -6.6 20.8 80 91 A D H > S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.849 108.5 54.1 -77.2 -37.1 9.2 -4.4 22.8 81 92 A E H > S+ 0 0 31 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.880 108.6 50.5 -63.2 -38.1 11.5 -4.0 25.8 82 93 A L H >X S+ 0 0 25 -4,-1.9 4,-2.1 1,-0.2 3,-0.7 0.849 102.7 61.0 -67.1 -35.0 14.1 -2.7 23.4 83 94 A E H 3X S+ 0 0 86 -4,-1.1 4,-2.9 1,-0.3 5,-0.2 0.909 96.9 58.8 -56.4 -43.3 11.6 -0.3 21.9 84 95 A A H 3X S+ 0 0 33 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.831 106.8 49.4 -54.0 -32.9 11.3 1.3 25.4 85 96 A V H S+ 0 0 64 -4,-2.1 5,-2.0 1,-0.2 4,-0.9 0.926 111.1 51.4 -56.5 -45.8 14.8 3.5 21.6 87 98 A K H <5S+ 0 0 123 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.884 107.3 54.5 -56.5 -40.6 12.0 5.7 22.8 88 99 A Y H <5S+ 0 0 19 -4,-1.3 35,-3.6 -5,-0.2 -1,-0.2 0.893 116.1 34.9 -65.7 -42.1 14.1 6.8 25.8 89 100 A F H <5S- 0 0 0 -4,-2.0 -1,-0.2 33,-0.2 -2,-0.2 0.427 105.7-127.4 -91.7 0.0 17.1 8.0 23.6 90 101 A Q T ><5 - 0 0 36 -4,-0.9 3,-1.7 -3,-0.4 -3,-0.2 0.932 36.4-179.8 54.1 51.3 14.8 9.2 20.9 91 102 A L T 3 - 0 0 62 -2,-0.8 4,-1.5 1,-0.2 3,-0.4 -0.610 16.4-167.2 -77.2 115.5 18.9 11.8 13.6 95 106 A L H > S+ 0 0 0 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.846 84.4 64.6 -71.0 -35.9 21.7 13.6 15.3 96 107 A A H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.842 104.6 47.5 -55.6 -36.0 23.9 13.7 12.2 97 108 A Q H > S+ 0 0 132 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.953 112.7 45.6 -70.9 -52.6 21.2 15.9 10.6 98 109 A L H X S+ 0 0 24 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.904 111.7 53.4 -57.5 -44.3 20.9 18.3 13.5 99 110 A Y H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.886 108.5 50.1 -58.2 -41.2 24.6 18.5 13.8 100 111 A H H X S+ 0 0 129 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.876 112.2 48.2 -64.2 -38.8 24.9 19.4 10.1 101 112 A H H X S+ 0 0 87 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.921 113.0 44.4 -71.0 -46.0 22.2 22.1 10.5 102 113 A W H < S+ 0 0 1 -4,-2.8 4,-0.4 1,-0.2 8,-0.3 0.854 117.4 47.1 -67.6 -34.0 23.7 23.8 13.6 103 114 A G H < S+ 0 0 5 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.793 109.7 54.9 -73.4 -29.1 27.1 23.6 12.0 104 115 A S H < S+ 0 0 80 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.803 119.1 30.9 -74.4 -31.2 25.7 25.0 8.7 105 116 A V S < S+ 0 0 66 -4,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.305 124.7 47.3-110.1 5.4 24.2 28.1 10.4 106 117 A D > - 0 0 12 -4,-0.4 4,-0.8 -5,-0.1 -1,-0.1 -0.989 53.2-168.2-150.3 139.1 26.9 28.4 13.1 107 118 A S H > S+ 0 0 102 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.901 88.1 53.5 -92.7 -51.0 30.7 28.3 13.1 108 119 A H H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.868 113.3 47.7 -54.4 -38.8 31.6 28.1 16.8 109 120 A F H > S+ 0 0 0 -7,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.967 105.1 57.2 -64.2 -53.5 29.3 25.1 17.1 110 121 A Q H < S+ 0 0 103 -4,-0.8 -1,-0.2 -8,-0.3 -2,-0.2 0.724 109.9 49.2 -51.5 -22.6 30.7 23.5 13.9 111 122 A E H >X S+ 0 0 140 -4,-1.4 3,-0.9 -3,-0.2 4,-0.5 0.950 117.2 35.4 -80.2 -57.7 34.0 23.7 15.8 112 123 A V H 3X S+ 0 0 27 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.697 103.1 78.7 -69.3 -18.4 33.0 22.2 19.1 113 124 A A H 3< S+ 0 0 7 -4,-3.3 -1,-0.3 -5,-0.2 -3,-0.1 0.206 88.8 58.5 -78.3 18.0 30.7 19.8 17.2 114 125 A Q H <4 S+ 0 0 112 -3,-0.9 -1,-0.2 -5,-0.1 3,-0.2 0.780 105.6 39.2-108.7 -56.7 33.7 17.7 16.4 115 126 A K H < S+ 0 0 166 -4,-0.5 2,-0.6 1,-0.2 -2,-0.2 0.760 118.6 55.1 -66.0 -25.1 35.2 16.6 19.7 116 127 A F S < S+ 0 0 25 -4,-1.3 3,-0.2 3,-0.0 -1,-0.2 -0.812 71.5 148.6-118.0 91.4 31.7 16.2 21.1 117 128 A Q + 0 0 76 -2,-0.6 -94,-0.1 -3,-0.2 3,-0.1 -0.654 49.9 43.6-112.0 172.8 29.5 13.8 19.1 118 129 A G S S+ 0 0 0 -96,-1.3 -93,-2.9 -2,-0.2 2,-1.0 0.695 70.6 145.6 68.5 20.4 26.6 11.5 20.0 119 130 A V + 0 0 1 -3,-0.2 -1,-0.2 -95,-0.2 2,-0.2 -0.754 18.0 150.2 -95.9 94.6 25.1 14.1 22.4 120 131 A R - 0 0 0 -2,-1.0 2,-0.4 -3,-0.1 -30,-0.1 -0.489 44.7 -95.7-111.4-175.8 21.3 13.7 22.2 121 132 A L - 0 0 1 -32,-0.2 2,-0.3 -2,-0.2 181,-0.0 -0.884 27.9-128.4-109.1 135.3 18.5 14.3 24.7 122 133 A L - 0 0 0 -2,-0.4 2,-1.3 -93,-0.1 -33,-0.2 -0.593 17.1-130.6 -76.6 136.5 16.8 11.7 26.9 123 134 A R - 0 0 58 -35,-3.6 124,-0.2 -2,-0.3 2,-0.1 -0.720 41.1-169.7 -85.1 88.6 13.0 11.4 26.7 124 135 A Q - 0 0 1 122,-2.3 -89,-0.0 -2,-1.3 -3,-0.0 -0.397 27.1-100.3 -86.2 157.0 12.5 11.5 30.4 125 136 A D > - 0 0 72 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.579 32.6-126.4 -71.3 132.9 9.3 10.9 32.5 126 137 A P H > S+ 0 0 4 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.870 104.7 48.7 -48.3 -49.6 7.7 14.1 33.6 127 138 A I H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.966 113.0 44.1 -60.6 -57.7 7.6 13.3 37.3 128 139 A E H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 118.3 46.9 -52.7 -44.3 11.2 12.1 37.7 129 140 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 108.8 54.3 -66.7 -42.3 12.3 15.1 35.6 130 141 A L H X S+ 0 0 0 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.962 116.8 34.1 -57.0 -57.6 10.2 17.7 37.5 131 142 A F H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.784 113.7 59.5 -74.5 -28.4 11.4 16.9 41.0 132 143 A S H >< S+ 0 0 2 -4,-1.9 3,-0.5 -5,-0.4 4,-0.2 0.919 109.6 43.0 -64.1 -43.4 15.0 16.0 39.9 133 144 A F H 3X S+ 0 0 7 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.588 102.1 67.1 -83.0 -10.9 15.5 19.5 38.5 134 145 A I H 3< S+ 0 0 0 -4,-0.7 -1,-0.2 1,-0.2 3,-0.2 0.790 103.6 48.3 -70.7 -27.7 13.8 21.1 41.4 135 146 A C T << S+ 0 0 1 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.560 98.8 70.7 -86.3 -10.2 16.9 19.9 43.3 136 147 A S T >4 + 0 0 14 -4,-0.2 3,-0.9 -3,-0.1 -1,-0.2 0.818 68.6 107.7 -79.4 -31.9 19.3 21.2 40.7 137 148 A S T 3< S- 0 0 33 -4,-0.7 3,-0.1 1,-0.2 56,-0.1 -0.190 96.1 -2.8 -54.6 132.0 18.9 25.0 41.4 138 149 A N T 3 S+ 0 0 147 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.929 118.8 97.3 50.6 53.6 21.9 26.5 43.2 139 150 A N S < S- 0 0 37 -3,-0.9 2,-0.3 4,-0.0 -1,-0.2 -0.980 71.4-108.7-162.9 161.2 23.6 23.1 43.4 140 151 A N >> - 0 0 87 -2,-0.3 4,-2.5 -3,-0.1 3,-0.8 -0.788 28.3-117.4-105.9 147.5 26.2 20.9 41.6 141 152 A I H 3> S+ 0 0 52 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.827 114.7 58.1 -47.2 -39.0 25.6 17.8 39.6 142 153 A A H 3> S+ 0 0 77 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.933 112.3 39.0 -58.1 -48.8 27.6 15.8 42.1 143 154 A R H <> S+ 0 0 95 -3,-0.8 4,-2.3 1,-0.2 3,-0.3 0.944 111.3 57.4 -66.2 -50.6 25.4 16.8 45.0 144 155 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.850 101.7 56.9 -51.3 -41.6 22.1 16.6 43.0 145 156 A T H X S+ 0 0 32 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.943 108.5 45.8 -58.1 -50.4 22.8 12.9 42.1 146 157 A G H X S+ 0 0 10 -4,-1.1 4,-2.7 -3,-0.3 5,-0.3 0.939 111.6 52.0 -57.0 -50.4 23.0 11.9 45.8 147 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 112.2 45.3 -53.9 -46.8 19.9 13.9 46.8 148 159 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.823 111.6 54.2 -68.3 -31.2 17.9 12.2 44.0 149 160 A E H X S+ 0 0 45 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.932 112.5 41.4 -67.5 -47.0 19.3 8.8 45.0 150 161 A R H X S+ 0 0 85 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.889 111.2 57.4 -68.6 -40.4 18.3 9.2 48.7 151 162 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.936 110.7 43.8 -52.1 -49.8 15.0 10.6 47.7 152 163 A C H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 111.1 53.4 -66.4 -40.5 14.2 7.5 45.6 153 164 A Q H < S+ 0 0 108 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.867 113.5 45.2 -61.4 -35.4 15.5 5.2 48.3 154 165 A A H < S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.948 134.4 8.8 -74.9 -51.3 13.2 6.8 50.8 155 166 A F H < S+ 0 0 43 -4,-2.3 17,-0.5 -5,-0.2 -2,-0.2 0.273 103.4 104.4-118.9 8.3 9.9 7.1 48.9 156 167 A G S < S- 0 0 12 -4,-2.2 14,-0.2 -5,-0.3 2,-0.1 -0.725 77.1-101.7 -98.1 144.7 10.6 5.1 45.8 157 168 A P - 0 0 78 0, 0.0 12,-2.6 0, 0.0 2,-0.3 -0.391 39.6-115.6 -60.4 129.5 9.2 1.5 45.0 158 169 A R E +E 168 0B 145 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.538 39.3 173.4 -70.3 126.0 11.9 -1.1 45.6 159 170 A L E - 0 0 42 8,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.873 48.1 -43.2 -95.7 -80.8 12.7 -2.8 42.3 160 171 A I E - 0 0 33 7,-0.3 7,-2.7 2,-0.0 2,-0.5 -0.899 46.3-117.4-147.0 173.9 15.7 -5.3 42.5 161 172 A Q E -E 166 0B 109 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.980 20.6-179.9-126.1 124.6 19.1 -5.7 44.0 162 173 A L E > -E 165 0B 15 3,-2.5 3,-1.0 -2,-0.5 -158,-0.1 -0.982 68.8 -38.5-120.5 118.9 22.4 -6.1 42.0 163 174 A D T 3 S- 0 0 88 -2,-0.5 -160,-0.1 1,-0.2 0, 0.0 -0.403 123.9 -27.2 61.2-142.8 25.5 -6.4 44.2 164 175 A D T 3 S+ 0 0 145 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.091 121.2 99.5 -92.2 36.2 25.2 -4.1 47.2 165 176 A V E < -E 162 0B 18 -3,-1.0 -3,-2.5 2,-0.0 2,-0.5 -0.985 53.7-165.7-126.2 124.5 23.0 -1.8 45.2 166 177 A T E -E 161 0B 46 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.933 14.5-144.1-109.2 130.5 19.2 -1.7 45.4 167 178 A Y E - 0 0 19 -7,-2.7 -8,-3.2 -2,-0.5 2,-0.4 -0.698 13.0-164.3 -96.5 144.9 17.2 0.1 42.7 168 179 A H E -E 158 0B 27 -2,-0.3 -10,-0.2 -10,-0.2 -119,-0.1 -0.989 21.9-120.9-130.7 133.6 14.1 2.2 43.3 169 180 A G - 0 0 2 -12,-2.6 3,-0.1 -2,-0.4 -14,-0.0 -0.380 52.8 -86.9 -61.0 149.3 11.4 3.5 40.9 170 181 A F - 0 0 24 -14,-0.2 -1,-0.1 1,-0.1 -42,-0.1 -0.411 56.6 -96.4 -63.4 134.3 11.1 7.2 41.1 171 182 A P - 0 0 2 0, 0.0 -15,-0.2 0, 0.0 2,-0.2 0.025 39.3-122.5 -48.4 156.9 8.7 8.2 43.9 172 183 A S > - 0 0 56 -17,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.481 23.3-104.9 -97.3 171.2 5.1 9.0 43.1 173 184 A L H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.925 123.5 51.9 -59.5 -46.3 3.0 12.2 43.7 174 185 A Q H > S+ 0 0 119 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.885 110.8 49.2 -56.7 -40.2 1.2 10.4 46.6 175 186 A A H 4 S+ 0 0 28 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.914 113.7 44.0 -66.0 -44.3 4.6 9.5 48.0 176 187 A L H < S+ 0 0 0 -4,-2.4 26,-0.2 1,-0.2 25,-0.2 0.702 114.1 51.1 -76.1 -19.7 6.0 13.0 47.8 177 188 A A H < S+ 0 0 18 -4,-1.9 -1,-0.2 24,-0.2 -2,-0.2 0.584 86.6 116.2 -92.9 -12.6 2.8 14.6 49.1 178 189 A G S >< S- 0 0 19 -4,-0.8 3,-1.1 -3,-0.4 24,-0.1 0.104 78.2 -70.8 -52.9 168.6 2.6 12.3 52.2 179 190 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.354 112.3 3.9 -65.1 139.3 2.9 13.6 55.8 180 191 A E T 3> S+ 0 0 158 -3,-0.1 4,-1.7 1,-0.1 5,-0.1 0.692 81.8 137.1 62.7 22.1 6.2 14.8 57.1 181 192 A V H <> S+ 0 0 4 -3,-1.1 4,-3.3 2,-0.2 5,-0.2 0.947 71.0 50.4 -62.1 -48.5 8.0 14.4 53.7 182 193 A E H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.926 109.4 50.2 -56.4 -49.1 9.8 17.7 54.0 183 194 A A H > S+ 0 0 57 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.873 115.1 45.7 -56.2 -38.0 11.0 16.9 57.5 184 195 A H H X S+ 0 0 84 -4,-1.7 4,-1.0 1,-0.2 3,-0.4 0.906 110.1 52.5 -71.2 -43.8 12.2 13.6 56.1 185 196 A L H <>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.2 6,-0.2 0.743 103.9 57.2 -68.8 -24.0 13.8 15.1 53.0 186 197 A R H ><5S+ 0 0 109 -4,-1.9 3,-1.8 -5,-0.2 5,-0.3 0.844 100.8 57.0 -72.7 -33.9 15.8 17.5 55.1 187 198 A K H 3<5S+ 0 0 176 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.831 103.0 55.0 -62.8 -31.5 17.3 14.6 57.0 188 199 A L T 3<5S- 0 0 35 -4,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.324 122.7-113.0 -83.7 7.0 18.5 13.4 53.5 189 200 A G T < 5S+ 0 0 32 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.762 71.4 141.8 70.6 27.7 20.2 16.8 53.2 190 201 A L > < - 0 0 0 -5,-2.2 3,-1.3 1,-0.2 -4,-0.2 0.514 45.0-160.9 -75.4 -3.9 17.9 18.1 50.4 191 202 A G T > - 0 0 27 -5,-0.3 3,-1.9 1,-0.2 -1,-0.2 -0.224 57.8 -13.5 62.6-144.4 18.2 21.5 52.2 192 203 A Y T >> S+ 0 0 93 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.655 127.9 72.2 -67.5 -15.3 15.6 24.2 51.5 193 204 A R H <> S+ 0 0 5 -3,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.551 75.0 83.7 -76.4 -7.4 14.5 22.2 48.5 194 205 A A H <> S+ 0 0 0 -3,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.841 93.6 45.1 -62.0 -33.5 12.9 19.8 50.9 195 206 A R H <> S+ 0 0 113 -3,-1.0 4,-3.4 -4,-0.2 5,-0.3 0.894 105.9 59.6 -75.9 -42.5 9.9 22.1 51.0 196 207 A Y H X S+ 0 0 58 -4,-0.7 4,-2.6 1,-0.2 5,-0.2 0.894 106.6 47.9 -52.9 -45.3 9.8 22.6 47.2 197 208 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.963 115.6 43.0 -60.7 -54.4 9.3 18.9 46.7 198 209 A S H X S+ 0 0 6 -4,-1.3 4,-2.4 1,-0.2 5,-0.3 0.951 116.8 47.2 -57.7 -53.1 6.5 18.6 49.3 199 210 A A H X S+ 0 0 27 -4,-3.4 4,-3.2 1,-0.2 -1,-0.2 0.917 114.2 46.7 -55.6 -48.3 4.8 21.8 48.2 200 211 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.868 109.8 54.2 -65.8 -37.7 4.9 20.9 44.5 201 212 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -24,-0.2 0.952 116.6 37.4 -58.8 -50.8 3.7 17.3 45.2 202 213 A R H X S+ 0 0 98 -4,-2.4 4,-1.8 -26,-0.2 5,-0.4 0.891 114.3 56.2 -69.0 -41.2 0.6 18.6 47.0 203 214 A A H X>S+ 0 0 12 -4,-3.2 4,-1.9 -5,-0.3 5,-0.7 0.944 112.9 40.9 -56.0 -51.0 0.2 21.6 44.7 204 215 A I H X>S+ 0 0 0 -4,-2.6 6,-2.7 1,-0.2 5,-1.2 0.915 121.5 41.5 -62.5 -44.2 -0.0 19.4 41.6 205 216 A L H <5S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.557 127.0 29.5 -86.7 -9.7 -2.2 16.7 43.3 206 217 A E H <5S+ 0 0 147 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.519 131.7 24.6-127.5 -13.1 -4.5 19.0 45.2 207 218 A E H <5S+ 0 0 138 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.482 124.7 39.3-130.8 -11.2 -4.8 22.2 43.1 208 219 A Q T <>< - 0 0 55 -5,-1.2 3,-0.5 -6,-0.2 4,-0.5 0.568 57.2-106.4 120.8 19.5 -5.5 17.9 38.8 210 221 A G H >> S- 0 0 6 -6,-2.7 4,-1.1 1,-0.2 3,-0.8 -0.155 77.9 -15.8 67.1-155.9 -2.8 15.4 39.7 211 222 A L H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.842 128.8 63.7 -53.3 -42.0 -0.7 13.4 37.2 212 223 A A H <> S+ 0 0 50 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.897 99.1 54.1 -51.1 -47.5 -3.1 14.1 34.3 213 224 A W H << S+ 0 0 40 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.915 111.7 44.5 -53.6 -48.0 -2.4 17.8 34.4 214 225 A L H >< S+ 0 0 0 -4,-1.1 3,-1.7 -3,-0.3 -2,-0.2 0.955 113.1 47.4 -64.9 -54.8 1.3 17.4 34.1 215 226 A Q H >< S+ 0 0 91 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.830 99.8 68.4 -58.0 -35.6 1.4 14.7 31.4 216 227 A Q G >X S+ 0 0 114 -4,-2.1 4,-0.9 -5,-0.3 3,-0.6 0.433 81.4 78.7 -68.7 3.6 -1.0 16.7 29.2 217 228 A L G <4 S+ 0 0 9 -3,-1.7 -1,-0.3 1,-0.2 8,-0.2 0.520 73.8 75.9 -87.7 -6.8 1.7 19.3 28.7 218 229 A R G <4 S+ 0 0 80 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.601 104.0 38.8 -75.0 -11.8 3.3 17.1 26.1 219 230 A E T <4 S+ 0 0 166 -3,-0.6 -2,-0.2 -4,-0.2 -1,-0.2 0.696 102.9 85.1-105.1 -32.1 0.5 18.2 23.9 220 231 A S S < S- 0 0 48 -4,-0.9 2,-0.2 1,-0.1 -3,-0.0 0.016 89.6 -91.5 -60.3 175.3 0.3 21.9 25.0 221 232 A S > - 0 0 54 1,-0.1 4,-3.3 29,-0.0 5,-0.3 -0.601 30.7-111.8 -91.8 156.1 2.6 24.5 23.5 222 233 A Y H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.917 120.6 48.1 -49.4 -50.7 6.0 25.4 24.9 223 234 A E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 114.2 47.8 -58.6 -43.2 4.7 28.8 26.0 224 235 A E H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.980 116.4 41.2 -59.8 -59.1 1.7 27.2 27.5 225 236 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.916 113.0 52.7 -58.8 -49.1 3.6 24.6 29.5 226 237 A H H X S+ 0 0 33 -4,-3.1 4,-1.6 -5,-0.3 -1,-0.2 0.924 112.3 46.6 -53.0 -47.0 6.4 26.8 30.6 227 238 A K H X S+ 0 0 155 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.873 111.7 53.0 -61.0 -38.4 3.8 29.3 31.9 228 239 A A H >< S+ 0 0 24 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.890 107.6 49.4 -66.7 -42.1 2.0 26.4 33.6 229 240 A L H >< S+ 0 0 0 -4,-2.6 3,-3.1 1,-0.2 -1,-0.2 0.908 94.5 69.7 -66.3 -45.3 5.0 25.0 35.4 230 241 A C H 3< S+ 0 0 45 -4,-1.6 5,-0.3 1,-0.3 -1,-0.2 0.707 84.4 70.6 -53.8 -25.5 6.4 28.1 37.1 231 242 A I T << S+ 0 0 108 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.682 81.6 96.4 -66.0 -15.4 3.4 28.4 39.5 232 243 A L S X S- 0 0 4 -3,-3.1 3,-1.9 -4,-0.2 2,-0.2 -0.558 91.5-101.8 -75.9 138.9 4.9 25.3 41.2 233 244 A P T 3 S+ 0 0 38 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.418 107.8 16.3 -61.9 128.1 7.1 26.1 44.2 234 245 A G T 3 S+ 0 0 20 1,-0.2 2,-0.6 -2,-0.2 -97,-0.2 0.435 101.1 114.8 87.4 1.2 10.8 25.9 43.4 235 246 A V < + 0 0 9 -3,-1.9 -1,-0.2 -5,-0.3 2,-0.1 -0.917 33.7 152.5-110.9 111.9 10.1 26.1 39.7 236 247 A G > - 0 0 35 -2,-0.6 4,-1.8 -3,-0.1 5,-0.1 -0.230 62.0 -71.3-112.3-153.8 11.3 29.1 37.8 237 248 A T H > S+ 0 0 70 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.923 128.9 48.6 -72.5 -45.2 12.3 29.8 34.2 238 249 A K H > S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.922 116.5 42.4 -61.0 -47.0 15.5 27.8 34.3 239 250 A V H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 114.0 52.0 -68.6 -40.0 13.9 24.8 35.9 240 251 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.926 105.4 54.8 -61.8 -46.2 10.8 25.0 33.7 241 252 A D H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.842 108.2 51.2 -56.0 -35.5 13.0 25.1 30.5 242 253 A C H X S+ 0 0 6 -4,-1.2 4,-3.0 2,-0.2 5,-0.4 0.965 110.3 46.1 -65.5 -54.3 14.6 21.9 31.7 243 254 A I H X>S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-2.0 0.897 115.8 47.3 -57.3 -43.6 11.4 20.0 32.3 244 255 A C H <5S+ 0 0 0 -4,-2.8 6,-2.0 3,-0.2 4,-0.3 0.962 116.2 43.4 -60.0 -54.0 10.0 21.2 28.9 245 256 A L H <5S+ 0 0 7 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.872 125.5 30.5 -61.0 -42.9 13.1 20.3 27.0 246 257 A M H <5S+ 0 0 14 -4,-3.0 -122,-2.3 -5,-0.2 -1,-0.2 0.757 138.1 11.9 -96.3 -27.5 13.8 16.9 28.6 247 258 A A T <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.682 119.5 57.8-119.8 -32.3 10.3 15.6 29.5 248 259 A L S + 0 0 15 -6,-2.0 3,-2.0 1,-0.1 -1,-0.2 -0.742 25.2 176.9-111.5 83.1 9.6 21.1 23.6 251 262 A P T 3 S+ 0 0 27 0, 0.0 50,-2.2 0, 0.0 51,-0.6 0.627 75.3 63.6 -62.5 -16.5 12.9 20.9 21.7 252 263 A Q T 3 S+ 0 0 57 48,-0.2 2,-0.2 47,-0.2 47,-0.1 0.539 74.6 116.2 -86.0 -7.1 13.0 24.7 21.3 253 264 A A < - 0 0 0 -3,-2.0 -3,-0.0 45,-0.1 -12,-0.0 -0.439 48.8-165.0 -64.5 128.9 13.3 25.2 25.1 254 265 A V - 0 0 0 -2,-0.2 2,-0.2 50,-0.1 -12,-0.1 -0.792 10.0-147.9-124.1 87.9 16.6 26.8 26.0 255 266 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 -17,-0.1 -0.355 15.9-153.5 -52.5 116.5 17.5 26.6 29.7 256 267 A V + 0 0 13 -2,-0.2 2,-0.2 4,-0.1 -18,-0.1 -0.882 33.6 133.2-103.1 117.7 19.4 29.7 30.6 257 268 A D S > S- 0 0 36 -2,-0.6 4,-2.4 -19,-0.1 5,-0.2 -0.704 70.2 -64.5-141.3-166.9 21.9 29.4 33.5 258 269 A V H > S+ 0 0 94 2,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.947 130.9 47.4 -51.5 -56.3 25.5 30.3 34.5 259 270 A H H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 115.3 45.0 -52.3 -51.4 27.0 27.9 31.9 260 271 A M H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.798 114.0 50.6 -64.9 -28.6 24.7 29.2 29.1 261 272 A W H < S+ 0 0 12 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.860 112.1 45.8 -79.0 -36.2 25.4 32.8 30.2 262 273 A H H >X S+ 0 0 112 -4,-3.0 4,-2.5 -5,-0.2 3,-1.7 0.964 114.9 47.0 -65.2 -54.1 29.2 32.3 30.2 263 274 A I H 3X>S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.3 5,-0.8 0.849 111.1 53.2 -55.2 -36.0 29.0 30.5 26.8 264 275 A A H 3<5S+ 0 0 0 -4,-1.4 6,-2.3 -5,-0.2 -1,-0.3 0.588 116.4 39.0 -77.8 -9.8 26.8 33.3 25.6 265 276 A Q H <45S+ 0 0 99 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.655 124.8 34.7-107.7 -24.6 29.3 35.9 26.7 266 277 A R H <5S+ 0 0 139 -4,-2.5 -3,-0.2 3,-0.1 -2,-0.2 0.851 126.9 29.5 -99.8 -44.3 32.6 34.1 25.8 267 278 A D T <5S+ 0 0 44 -4,-1.7 -3,-0.2 -5,-0.3 -159,-0.1 0.662 134.1 27.7 -96.1 -19.4 31.8 32.2 22.6 268 279 A Y S - 0 0 57 -2,-2.7 4,-1.9 1,-0.1 3,-0.4 -0.768 61.7-100.2 -95.5 149.3 17.9 39.2 35.3 282 293 A P H > S+ 0 0 108 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.789 122.0 51.3 -29.9 -51.3 14.6 37.6 34.3 283 294 A Q H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.957 110.1 44.4 -58.4 -61.0 14.3 39.8 31.2 284 295 A T H > S+ 0 0 0 -3,-0.4 4,-3.6 -5,-0.3 5,-0.2 0.918 109.8 56.3 -51.5 -51.5 17.8 39.1 29.8 285 296 A N H X S+ 0 0 30 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.871 108.5 47.6 -50.8 -43.1 17.6 35.4 30.3 286 297 A K H X S+ 0 0 98 -4,-1.7 4,-1.7 -3,-0.4 -1,-0.3 0.895 114.3 47.2 -65.2 -41.0 14.3 35.2 28.3 287 298 A E H X S+ 0 0 26 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.904 107.9 55.4 -66.4 -43.3 15.9 37.3 25.6 288 299 A L H X S+ 0 0 0 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.905 106.5 51.9 -56.5 -44.3 19.1 35.2 25.6 289 300 A G H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 3,-0.4 0.923 106.5 52.7 -58.7 -46.9 16.9 32.1 25.0 290 301 A N H X S+ 0 0 77 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.872 103.3 59.5 -56.2 -39.3 15.2 33.7 22.0 291 302 A F H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.892 108.8 42.7 -57.9 -42.3 18.6 34.5 20.5 292 303 A F H X>S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.4 5,-0.8 0.820 108.8 58.5 -75.6 -31.2 19.5 30.8 20.4 293 304 A R H <5S+ 0 0 51 -4,-2.0 4,-0.5 3,-0.2 -2,-0.2 0.827 112.7 40.5 -66.2 -31.7 16.1 29.8 19.1 294 305 A S H <5S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.876 118.6 47.1 -81.1 -41.3 16.6 32.1 16.1 295 306 A L H <5S+ 0 0 38 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.975 130.4 18.8 -62.8 -58.1 20.3 31.0 15.7 296 307 A W T <5S- 0 0 1 -4,-3.0 3,-0.4 1,-0.2 -3,-0.2 0.758 101.8-148.7 -90.0 -27.8 19.8 27.3 16.0 297 308 A G > < - 0 0 12 -5,-0.8 3,-2.2 -4,-0.5 -1,-0.2 -0.574 55.9 -5.9 98.3-159.0 16.1 27.0 15.3 298 309 A P T 3 S+ 0 0 93 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.643 136.6 46.7 -48.4 -24.2 13.3 24.6 16.4 299 310 A Y T >> + 0 0 79 -3,-0.4 4,-1.8 1,-0.2 3,-0.6 -0.079 65.4 130.7-114.0 32.6 15.9 22.5 18.2 300 311 A A H <> S+ 0 0 0 -3,-2.2 4,-1.8 1,-0.2 -48,-0.2 0.742 72.6 62.2 -54.4 -22.4 17.9 25.2 20.0 301 312 A G H 3> S+ 0 0 0 -50,-2.2 4,-2.0 -3,-0.2 -1,-0.2 0.934 101.5 45.8 -70.2 -49.0 17.4 23.0 23.0 302 313 A W H <> S+ 0 0 8 -51,-0.6 4,-1.4 -3,-0.6 -2,-0.2 0.861 111.9 53.7 -63.3 -36.7 19.4 20.0 21.7 303 314 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 3,-0.3 0.922 105.9 52.9 -62.7 -45.6 22.1 22.4 20.5 304 315 A Q H X S+ 0 0 16 -4,-1.8 4,-3.7 1,-0.2 5,-0.2 0.933 106.5 52.9 -53.5 -48.2 22.3 23.9 24.0 305 316 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.820 105.8 55.5 -59.0 -32.6 22.8 20.3 25.4 306 317 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.936 116.1 34.6 -66.8 -47.9 25.6 19.8 23.0 307 318 A L H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.915 114.3 58.2 -71.6 -45.2 27.6 22.8 24.2 308 319 A F H X S+ 0 0 37 -4,-3.7 4,-1.5 1,-0.2 -2,-0.2 0.878 108.2 47.4 -52.3 -42.0 26.5 22.5 27.8 309 320 A S H X S+ 0 0 5 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.923 111.2 50.1 -66.6 -45.0 28.0 19.0 27.9 310 321 A A H < S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 109.6 52.4 -59.5 -37.3 31.2 20.1 26.3 311 322 A D H >< S+ 0 0 22 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.827 106.7 53.1 -71.2 -33.1 31.5 22.9 28.8 312 323 A L H 3< S+ 0 0 58 -4,-1.5 2,-1.5 1,-0.3 -2,-0.2 0.975 108.3 47.6 -64.7 -57.5 31.1 20.5 31.7 313 324 A R T 3< 0 0 156 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 -0.149 360.0 360.0 -76.3 43.1 33.9 18.2 30.6 314 325 A Q < 0 0 169 -2,-1.5 -1,-0.2 -3,-0.8 -2,-0.0 -0.304 360.0 360.0-150.9 360.0 36.0 21.4 30.2