==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-10 3OPL . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR J.M.SAMPSON,F.VAN DEN AKKER . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 69.1 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 . 38 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 1 2 2 1 0 1 0 1 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 2 0 1 0 0 1 2 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 . 2 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 26 A S 0 0 77 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 157.5 60.2 59.1 9.3 2 27 A P - 0 0 39 0, 0.0 260,-0.1 0, 0.0 259,-0.1 -0.356 360.0 -72.4 -73.3 168.3 60.4 59.9 13.0 3 28 A Q > - 0 0 90 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.196 55.6-100.0 -56.0 155.4 59.1 57.3 15.6 4 29 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.878 123.4 43.5 -51.0 -46.8 55.3 57.1 15.6 5 30 A L H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 112.3 52.3 -63.9 -47.9 54.9 59.3 18.7 6 31 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 112.2 47.9 -51.8 -45.2 57.5 61.9 17.5 7 32 A Q H X S+ 0 0 23 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.918 109.8 50.2 -64.8 -46.8 55.5 62.1 14.2 8 33 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.888 111.3 49.8 -59.2 -42.5 52.1 62.5 15.8 9 34 A K H X S+ 0 0 110 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.936 110.3 51.1 -58.6 -48.7 53.5 65.3 18.0 10 35 A L H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.858 106.8 53.8 -56.7 -40.7 54.9 66.9 14.9 11 36 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.897 109.1 47.8 -64.6 -42.5 51.6 66.7 13.1 12 37 A E H X>S+ 0 0 31 -4,-1.9 4,-1.3 1,-0.2 5,-1.2 0.904 114.2 47.8 -61.9 -43.1 49.8 68.5 16.0 13 38 A S H <5S+ 0 0 89 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.894 116.8 40.7 -64.9 -44.4 52.4 71.2 16.0 14 39 A Q H <5S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.841 121.0 43.3 -76.0 -33.9 52.5 71.8 12.3 15 40 A L H <5S- 0 0 7 -4,-2.6 228,-0.5 -5,-0.2 -2,-0.2 0.664 95.1-137.4 -82.9 -16.8 48.7 71.6 11.9 16 41 A S T <5S+ 0 0 94 -4,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.886 71.7 105.5 50.0 42.0 47.9 73.7 15.0 17 42 A G S -A 232 0A 35 5,-2.8 4,-1.7 -2,-0.4 207,-0.2 -0.552 25.8-151.4 -61.4 125.4 46.3 44.2 17.6 26 51 A L T 4 S+ 0 0 18 205,-2.4 -1,-0.2 -2,-0.3 206,-0.1 0.956 90.7 45.9 -68.3 -48.2 43.3 42.9 15.8 27 52 A A T 4 S+ 0 0 81 204,-0.5 -1,-0.1 1,-0.2 205,-0.1 0.935 130.4 18.9 -59.7 -49.3 43.5 39.4 17.1 28 53 A S T 4 S- 0 0 72 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.737 92.3-125.5 -99.4 -26.4 44.1 40.2 20.8 29 54 A G < + 0 0 19 -4,-1.7 2,-0.2 1,-0.3 -3,-0.1 0.495 51.0 160.5 90.2 4.1 43.0 43.8 21.2 30 55 A R - 0 0 141 -6,-0.1 -5,-2.8 1,-0.1 2,-0.5 -0.437 40.6-128.9 -64.1 126.8 46.4 44.8 22.6 31 56 A T E +B 24 0A 74 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.683 32.8 171.8 -78.5 120.5 47.0 48.6 22.4 32 57 A L E + 0 0 31 -9,-3.2 2,-0.4 -2,-0.5 -8,-0.2 0.848 65.0 10.9-100.4 -46.3 50.4 49.2 20.8 33 58 A T E S+B 23 0A 19 -10,-1.2 -10,-2.5 -29,-0.0 -1,-0.4 -0.989 71.7 176.1-135.0 139.0 50.7 52.9 20.2 34 59 A A E +B 22 0A 44 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.998 14.1 175.1-147.9 147.2 48.3 55.5 21.6 35 60 A W E S-B 21 0A 53 -14,-2.4 -14,-2.9 -2,-0.3 4,-0.1 -0.918 81.1 -18.0-154.5 122.1 47.9 59.3 21.7 36 61 A R S > S+ 0 0 80 -2,-0.3 3,-1.6 -16,-0.2 123,-0.1 0.846 81.3 161.3 46.1 39.4 44.9 61.2 23.2 37 62 A A T 3 + 0 0 15 1,-0.3 122,-2.7 121,-0.1 123,-0.5 0.660 69.0 46.5 -65.0 -18.6 43.1 57.8 22.9 38 63 A D T 3 S+ 0 0 134 120,-0.2 -1,-0.3 119,-0.1 2,-0.2 0.370 91.1 101.0-105.8 2.0 40.5 58.9 25.4 39 64 A E S < S- 0 0 68 -3,-1.6 2,-0.3 -4,-0.1 120,-0.1 -0.601 76.4-106.2 -89.4 151.8 39.7 62.3 23.9 40 65 A R + 0 0 77 -2,-0.2 117,-0.2 117,-0.2 110,-0.1 -0.568 37.6 172.7 -86.1 136.7 36.7 62.9 21.7 41 66 A F E -E 156 0B 0 115,-2.8 115,-2.9 -2,-0.3 2,-0.1 -0.989 40.6 -98.2-137.3 145.8 36.7 63.4 17.9 42 67 A P E -E 155 0B 5 0, 0.0 113,-0.2 0, 0.0 196,-0.1 -0.449 25.8-150.8 -60.0 131.9 34.0 63.7 15.3 43 68 A M > + 0 0 3 111,-1.7 3,-1.7 101,-0.2 112,-0.1 0.857 28.9 172.2 -66.4 -41.2 33.4 60.3 13.6 44 69 A M G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 4,-0.2 -0.287 71.6 -13.8 54.6-145.0 32.2 61.9 10.4 45 70 A S G > S+ 0 0 10 167,-0.3 3,-1.7 1,-0.3 4,-0.3 0.645 123.0 82.5 -60.6 -15.2 31.9 59.2 7.7 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.6 0.750 78.7 70.6 -58.4 -21.9 33.8 56.7 9.8 47 72 A F H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.731 77.6 77.9 -67.7 -24.2 30.5 56.1 11.6 48 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.737 88.5 58.0 -59.5 -22.5 29.1 54.3 8.5 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.955 109.6 42.1 -70.5 -46.7 31.1 51.2 9.5 50 75 A V H X S+ 0 0 1 -4,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.911 112.4 57.0 -65.0 -42.5 29.3 51.0 12.9 51 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.942 109.2 43.0 -49.2 -57.1 26.1 51.8 11.1 52 77 A a H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.799 107.9 61.6 -69.0 -23.7 26.5 48.8 8.8 53 78 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.962 107.3 44.7 -56.7 -49.3 27.6 46.7 11.8 54 79 A A H X S+ 0 0 3 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.905 111.7 52.3 -63.8 -43.4 24.1 47.4 13.3 55 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.937 108.9 50.5 -55.2 -49.2 22.4 46.7 10.0 56 81 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 104.5 57.3 -60.7 -33.5 24.2 43.3 9.8 57 82 A A H X S+ 0 0 27 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.875 107.0 49.4 -64.0 -37.3 23.1 42.5 13.4 58 83 A R H X>S+ 0 0 81 -4,-1.6 5,-2.6 -3,-0.3 6,-1.0 0.871 109.5 50.9 -64.4 -41.7 19.5 42.9 12.3 59 84 A V H ><5S+ 0 0 37 -4,-2.0 3,-1.0 4,-0.2 -2,-0.2 0.931 110.6 50.2 -58.8 -46.9 20.2 40.6 9.2 60 85 A D H 3<5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 110.2 49.4 -59.9 -40.5 21.7 38.1 11.7 61 86 A A H 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.573 115.4-116.1 -74.8 -11.2 18.6 38.3 13.9 62 87 A G T <<5S+ 0 0 62 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.624 89.3 111.3 81.7 14.1 16.3 37.8 10.9 63 88 A D S - 0 0 119 -2,-0.3 3,-1.2 1,-0.1 29,-0.4 -0.999 18.3-141.9-131.2 139.9 17.7 41.3 4.7 66 91 A L T 3 S+ 0 0 20 -2,-0.4 29,-2.7 1,-0.2 30,-0.5 0.786 106.8 57.2 -62.5 -26.0 20.5 42.7 2.6 67 92 A E T 3 S+ 0 0 138 26,-0.2 -1,-0.2 27,-0.2 2,-0.1 0.587 77.6 115.4 -80.4 -14.5 18.3 41.9 -0.4 68 93 A R < - 0 0 97 -3,-1.2 26,-2.0 25,-0.1 2,-0.4 -0.397 65.0-133.2 -62.4 128.9 15.4 44.0 0.8 69 94 A K E -F 93 0C 90 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.730 15.2-157.5 -85.5 130.1 14.8 46.9 -1.6 70 95 A I E -F 92 0C 21 22,-3.7 22,-2.2 -2,-0.4 2,-0.4 -0.932 6.3-158.0-105.7 131.0 14.3 50.3 -0.1 71 96 A H + 0 0 125 -2,-0.5 2,-0.2 20,-0.2 17,-0.1 -0.949 18.7 167.2-115.0 133.0 12.5 52.9 -2.3 72 97 A Y - 0 0 13 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.809 27.2-115.3-138.6 173.4 12.9 56.6 -1.7 73 98 A R > - 0 0 166 -2,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.761 27.7-114.1-115.3 160.5 12.2 60.1 -3.2 74 99 A Q G > S+ 0 0 135 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.845 115.1 63.3 -60.1 -36.9 14.5 62.9 -4.4 75 100 A Q G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.695 97.2 59.9 -60.9 -20.1 13.2 65.1 -1.6 76 101 A D G < S+ 0 0 89 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.642 83.6 105.5 -79.2 -19.4 14.8 62.6 0.8 77 102 A L < - 0 0 40 -3,-1.6 2,-0.2 -4,-0.4 4,-0.1 -0.383 51.9-163.6 -72.0 140.7 18.3 63.1 -0.6 78 103 A V - 0 0 45 1,-0.1 30,-0.3 2,-0.1 29,-0.1 -0.629 44.6 -52.2-110.4 174.9 21.0 65.1 1.3 79 104 A D S S+ 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 28,-0.1 -0.275 116.9 18.2 -52.1 123.7 24.3 66.6 0.2 80 105 A Y + 0 0 116 27,-0.1 27,-2.7 1,-0.1 28,-0.5 0.965 62.4 155.0 76.6 90.0 26.5 64.0 -1.7 81 106 A S > + 0 0 4 25,-0.2 4,-2.4 26,-0.2 5,-0.3 -0.465 3.9 163.6-137.7 58.7 24.6 61.0 -2.9 82 107 A P T 4 S+ 0 0 24 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.786 81.9 23.4 -56.0 -33.1 26.6 59.7 -5.9 83 108 A V T >4 S+ 0 0 34 2,-0.1 3,-1.5 3,-0.1 4,-0.3 0.876 121.3 53.1 -97.8 -51.6 25.0 56.2 -6.0 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.845 102.1 59.6 -58.3 -36.4 21.6 56.8 -4.3 85 110 A E G >< S+ 0 0 111 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.788 99.2 60.7 -63.8 -24.9 20.7 59.7 -6.6 86 111 A K G < S+ 0 0 159 -3,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.542 102.2 53.6 -75.5 -7.5 21.0 57.3 -9.6 87 112 A H G <> + 0 0 39 -3,-1.8 4,-1.7 -4,-0.3 -15,-0.3 -0.110 58.4 122.2-126.9 37.2 18.2 55.0 -8.2 88 113 A L T <4 S+ 0 0 57 -3,-0.6 -16,-0.2 1,-0.2 -1,-0.1 0.856 84.1 44.6 -62.6 -34.3 15.2 57.2 -7.6 89 114 A A T 4 S+ 0 0 101 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.947 128.7 19.0 -75.2 -52.3 13.2 55.0 -10.0 90 115 A D T 4 S- 0 0 76 1,-0.2 -2,-0.2 -19,-0.0 -1,-0.1 0.729 94.6-144.9 -99.4 -26.9 14.1 51.5 -8.9 91 116 A G < - 0 0 1 -4,-1.7 2,-0.3 -7,-0.1 -20,-0.2 -0.344 17.7 -87.9 89.3-172.5 15.5 51.9 -5.4 92 117 A M E -F 70 0C 0 -22,-2.2 -22,-3.7 -2,-0.1 2,-0.1 -0.979 26.6-114.7-140.8 147.5 18.4 50.1 -3.7 93 118 A T E > -F 69 0C 27 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.445 33.6-113.1 -75.0 156.8 18.8 47.0 -1.6 94 119 A V H > S+ 0 0 0 -26,-2.0 4,-2.2 -29,-0.4 -28,-0.2 0.902 121.5 51.0 -53.0 -45.7 19.9 47.3 2.0 95 120 A G H > S+ 0 0 13 -29,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 108.7 50.0 -60.3 -43.6 23.2 45.6 1.0 96 121 A E H > S+ 0 0 84 -30,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.867 109.1 53.5 -62.8 -37.8 23.7 48.1 -1.9 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.916 108.5 47.6 -64.6 -42.8 23.1 50.9 0.5 98 123 A a H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.938 111.7 51.7 -64.1 -42.8 25.8 49.7 2.9 99 124 A A H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.918 113.2 44.6 -55.6 -45.9 28.1 49.3 -0.1 100 125 A A H X S+ 0 0 3 -4,-2.6 6,-2.3 3,-0.2 4,-1.4 0.902 114.3 48.7 -67.9 -42.1 27.4 52.9 -1.2 101 126 A A H X S+ 0 0 0 -4,-2.8 4,-0.5 4,-0.3 -2,-0.2 0.927 123.5 30.7 -61.9 -48.5 27.7 54.3 2.3 102 127 A I H < S+ 0 0 0 -4,-2.9 108,-0.2 -5,-0.2 -2,-0.2 0.935 127.7 36.8 -79.9 -49.3 31.0 52.6 3.1 103 128 A T H < S+ 0 0 15 -4,-2.6 87,-2.7 -5,-0.4 88,-0.7 0.736 135.8 20.0 -78.6 -22.7 32.7 52.3 -0.4 104 129 A M H < S- 0 0 56 -4,-1.4 -3,-0.2 -5,-0.5 -1,-0.2 0.354 96.4-122.6-127.2 -1.2 31.5 55.7 -1.8 105 130 A S < - 0 0 18 -4,-0.5 -4,-0.3 -6,-0.2 2,-0.3 0.806 41.8-176.6 59.4 31.1 30.6 57.6 1.4 106 131 A D > - 0 0 0 -6,-2.3 4,-1.3 1,-0.1 -25,-0.2 -0.444 12.3-162.1 -62.8 120.5 27.1 58.1 -0.0 107 132 A N H > S+ 0 0 13 -27,-2.7 4,-1.8 -2,-0.3 34,-0.3 0.848 84.9 49.6 -81.3 -37.7 25.2 60.3 2.6 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.4 -30,-0.3 5,-0.2 0.894 109.1 55.5 -66.2 -39.3 21.6 59.6 1.6 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 106.5 50.6 -54.5 -46.6 22.4 55.9 1.7 110 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.894 110.5 49.4 -59.3 -41.3 23.6 56.3 5.3 111 136 A N H X S+ 0 0 22 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.893 108.6 51.1 -66.7 -41.7 20.5 58.1 6.3 112 137 A L H X S+ 0 0 33 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.954 115.1 44.8 -60.1 -49.0 18.1 55.5 4.7 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.905 107.2 57.5 -55.6 -49.3 20.1 52.8 6.7 114 139 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 3,-0.8 0.863 101.0 58.4 -53.6 -37.6 20.1 54.9 9.9 115 140 A A H ><5S+ 0 0 58 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.936 100.9 55.7 -57.0 -46.2 16.3 54.9 9.8 116 141 A T H 3<5S+ 0 0 26 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.666 107.7 48.8 -62.0 -22.5 16.2 51.1 9.8 117 142 A V T <<5S- 0 0 20 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.253 130.6 -91.0-100.0 10.7 18.3 50.9 13.1 118 143 A G T <>5 - 0 0 54 -3,-1.9 4,-1.6 -4,-0.2 -3,-0.2 0.723 66.0 -88.9 85.5 25.5 16.1 53.5 14.8 119 144 A G H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.911 143.1 50.4 -46.7 -47.4 20.9 58.3 15.7 121 146 A A H > S+ 0 0 76 1,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.900 109.6 50.9 -59.2 -43.2 19.4 57.2 19.0 122 147 A G H X S+ 0 0 20 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.870 110.5 48.0 -62.5 -41.3 18.9 53.6 17.8 123 148 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.875 110.6 51.7 -66.3 -40.0 22.6 53.4 16.7 124 149 A T H X S+ 0 0 24 -4,-2.3 4,-2.4 13,-0.3 -2,-0.2 0.910 108.1 52.3 -62.6 -40.4 23.8 54.8 20.0 125 150 A A H X S+ 0 0 47 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.912 108.0 52.3 -61.9 -40.1 21.6 52.2 21.8 126 151 A F H X S+ 0 0 28 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.920 107.3 51.7 -59.0 -50.2 23.4 49.5 19.7 127 152 A L H ><>S+ 0 0 1 -4,-2.3 5,-3.0 1,-0.2 3,-0.8 0.917 109.8 48.2 -52.6 -49.5 26.8 50.8 20.7 128 153 A R H ><5S+ 0 0 85 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.848 106.6 59.5 -61.2 -32.9 25.9 50.7 24.4 129 154 A Q H 3<5S+ 0 0 161 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.739 106.8 45.0 -69.2 -26.3 24.6 47.1 23.8 130 155 A I T <<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.215 130.5 -94.1-101.0 12.4 28.0 45.9 22.6 131 156 A G T < 5S+ 0 0 40 -3,-1.2 2,-0.8 1,-0.2 -3,-0.2 0.676 81.4 134.9 88.0 21.1 29.7 47.7 25.5 132 157 A D < + 0 0 4 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.888 19.3 168.8 -97.1 107.0 30.7 51.0 23.9 133 158 A N S S+ 0 0 118 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.269 70.6 48.4-100.2 11.8 29.7 53.5 26.6 134 159 A V S S+ 0 0 43 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.787 83.8 82.4-118.3 -57.8 31.4 56.5 24.8 135 160 A T + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.323 56.5 177.2 -63.1 136.2 30.7 56.7 21.1 136 161 A R - 0 0 77 19,-2.1 2,-0.5 16,-0.2 19,-0.3 -1.000 23.8-154.5-144.8 135.7 27.4 58.5 20.4 137 162 A L + 0 0 2 -17,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.963 22.3 159.8-108.4 137.6 25.5 59.6 17.3 138 163 A D + 0 0 54 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.604 57.9 46.9-125.3 -27.3 23.1 62.5 17.6 139 164 A H - 0 0 43 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.751 68.4-127.2-119.4 163.8 22.6 63.8 14.1 140 165 A W > - 0 0 105 -2,-0.2 4,-1.5 1,-0.1 2,-0.3 -0.441 60.4 -36.9 -91.4 174.2 21.8 62.5 10.6 141 166 A E T 4 S+ 0 0 1 1,-0.3 -1,-0.1 -34,-0.3 -30,-0.0 -0.631 123.9 12.1 -68.6 135.7 23.8 63.3 7.5 142 167 A T T >4 S+ 0 0 40 -2,-0.3 3,-2.0 -64,-0.1 -1,-0.3 -0.991 119.8 60.1-105.5 3.2 25.1 65.9 6.9 143 168 A E G >4 S+ 0 0 96 -3,-0.3 3,-1.6 1,-0.3 -2,-0.2 0.719 90.7 74.4 -60.8 -22.6 24.8 67.7 10.3 144 169 A L G 3< S+ 0 0 4 -4,-1.5 -100,-0.5 1,-0.3 3,-0.3 0.660 90.7 59.3 -66.2 -14.0 26.8 64.9 12.0 145 170 A N G < S+ 0 0 20 -3,-2.0 69,-2.3 1,-0.2 -1,-0.3 0.345 71.0 104.8 -91.7 1.7 29.9 66.5 10.3 146 171 A E < - 0 0 85 -3,-1.6 -1,-0.2 67,-0.2 -2,-0.1 0.775 59.9-161.5 -58.3 -33.5 29.6 70.0 11.9 147 172 A A - 0 0 12 -3,-0.3 93,-0.2 -4,-0.2 -1,-0.1 0.873 10.4-166.5 49.6 47.7 32.5 69.4 14.4 148 173 A L > - 0 0 52 1,-0.1 3,-2.1 5,-0.1 -1,-0.2 -0.442 33.6 -96.2 -61.8 131.4 31.4 72.3 16.7 149 174 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.249 106.1 4.2 -56.7 134.9 34.2 73.0 19.2 150 175 A G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -110,-0.1 -2,-0.1 0.350 93.1 143.7 72.3 -4.7 33.8 71.2 22.5 151 176 A D < - 0 0 37 -3,-2.1 -1,-0.2 1,-0.2 -4,-0.0 -0.522 35.7-168.0 -73.9 122.9 30.6 69.4 21.2 152 177 A A > + 0 0 35 -2,-0.3 3,-1.0 -3,-0.1 -16,-0.2 0.672 57.2 106.8 -79.6 -19.9 30.3 65.9 22.6 153 178 A R T 3 S+ 0 0 103 1,-0.2 -6,-0.1 -16,-0.1 -16,-0.1 -0.281 85.4 9.9 -60.0 143.8 27.5 65.1 20.1 154 179 A D T 3 S+ 0 0 10 1,-0.2 -111,-1.7 -112,-0.1 -110,-0.5 0.756 103.5 130.8 63.1 28.1 28.4 62.8 17.1 155 180 A T E < -E 42 0B 2 -3,-1.0 -19,-2.1 -19,-0.3 2,-0.3 -0.713 35.5-178.0-116.2 162.9 31.8 61.9 18.6 156 181 A T E -E 41 0B 0 -115,-2.9 -115,-2.8 -2,-0.3 3,-0.1 -0.809 23.6-124.6-135.0-179.9 34.0 58.9 19.4 157 182 A T > - 0 0 5 -2,-0.3 4,-2.5 -117,-0.2 5,-0.3 -0.942 26.8-117.8-121.0 156.1 37.4 58.4 21.0 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.912 115.7 49.1 -57.4 -44.3 40.2 56.5 19.3 159 184 A A H > S+ 0 0 25 -122,-2.7 4,-2.2 1,-0.2 5,-0.1 0.897 114.3 45.7 -59.2 -42.6 40.3 53.8 22.0 160 185 A S H > S+ 0 0 20 -123,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.836 112.9 48.5 -71.7 -39.7 36.5 53.3 21.8 161 186 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.921 112.6 48.5 -67.3 -43.4 36.3 53.2 18.0 162 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.952 113.4 47.5 -62.1 -47.9 39.2 50.7 17.8 163 188 A A H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.911 114.1 47.5 -52.8 -48.3 37.5 48.5 20.5 164 189 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.874 110.8 49.8 -66.8 -41.3 34.2 48.7 18.7 165 190 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.911 112.2 49.2 -61.9 -44.5 35.6 47.9 15.3 166 191 A R H X>S+ 0 0 70 -4,-2.6 4,-2.4 -5,-0.2 5,-0.6 0.941 109.7 52.2 -58.8 -45.3 37.4 44.9 16.8 167 192 A K H X5S+ 0 0 41 -4,-2.6 4,-1.0 1,-0.2 6,-0.5 0.896 114.1 42.4 -57.2 -44.4 34.1 43.8 18.5 168 193 A L H <5S+ 0 0 1 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.870 120.1 42.8 -70.3 -36.7 32.2 44.0 15.2 169 194 A L H <5S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.719 130.1 10.8 -87.2 -24.5 35.0 42.4 13.1 170 195 A T H <5S+ 0 0 62 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.466 101.4 88.2-137.6 -4.7 36.3 39.4 15.2 171 196 A S S >< - 0 0 44 -2,-0.3 4,-2.9 -119,-0.2 5,-0.2 -0.242 38.5-106.3 -57.9 155.3 27.7 36.1 12.2 176 201 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 123.0 49.5 -51.3 -47.8 30.8 34.9 10.4 177 202 A R H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.3 49.4 -61.7 -40.3 29.3 35.9 7.1 178 203 A S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 109.8 51.0 -65.5 -40.8 28.4 39.4 8.5 179 204 A Q H X S+ 0 0 41 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.900 112.1 47.2 -61.0 -43.6 31.9 39.9 9.9 180 205 A R H X S+ 0 0 166 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.880 112.3 50.8 -67.1 -35.0 33.4 39.0 6.5 181 206 A Q H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 106.9 51.6 -69.2 -45.4 30.9 41.3 4.7 182 207 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.933 113.3 46.9 -58.4 -46.4 31.7 44.3 6.9 183 208 A L H X S+ 0 0 47 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.903 108.9 53.2 -58.6 -44.0 35.4 43.9 6.2 184 209 A Q H X S+ 0 0 87 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.870 103.9 56.1 -63.8 -36.9 35.0 43.4 2.5 185 210 A W H < S+ 0 0 12 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.892 110.8 45.6 -61.6 -37.7 33.0 46.7 2.3 186 211 A M H >< S+ 0 0 0 -4,-1.3 22,-2.0 1,-0.2 3,-1.4 0.886 110.4 52.8 -71.1 -39.6 36.1 48.3 3.9 187 212 A V H 3< S+ 0 0 35 -4,-2.8 -2,-0.2 20,-0.3 -1,-0.2 0.896 107.9 54.9 -55.1 -39.2 38.4 46.5 1.5 188 213 A D T 3< S+ 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.256 73.7 143.8 -84.4 12.5 36.3 47.9 -1.3 189 214 A D < - 0 0 1 -3,-1.4 -86,-0.2 19,-0.2 -85,-0.1 -0.332 26.5-175.1 -60.5 127.0 36.6 51.6 -0.4 190 215 A R S S+ 0 0 142 -87,-2.7 -1,-0.2 3,-0.2 -86,-0.2 0.634 72.8 64.4 -94.0 -20.1 36.7 53.7 -3.6 191 216 A V S S- 0 0 70 -88,-0.7 4,-0.1 1,-0.1 -1,-0.1 0.969 128.4 -7.9 -72.2 -53.3 37.4 57.1 -1.9 192 217 A A S > S+ 0 0 11 16,-0.1 4,-2.6 2,-0.1 5,-0.2 0.639 113.4 85.1-120.5 -23.8 40.8 56.5 -0.3 193 218 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 92.8 43.5 -49.1 -57.5 41.6 52.8 -0.7 194 219 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.912 115.2 51.1 -62.1 -40.1 43.1 52.8 -4.2 195 220 A L H > S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.938 114.0 43.4 -55.8 -51.1 45.2 56.0 -3.4 196 221 A I H >X S+ 0 0 41 -4,-2.6 3,-1.5 1,-0.2 4,-1.1 0.929 112.1 53.1 -61.8 -47.1 46.5 54.4 -0.2 197 222 A R H 3< S+ 0 0 103 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.859 103.1 59.3 -58.6 -36.2 47.2 51.1 -1.8 198 223 A S H 3< S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.661 113.3 36.1 -67.3 -20.9 49.2 52.9 -4.6 199 224 A V H << S+ 0 0 115 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.436 94.6 99.8-114.3 -4.2 51.7 54.4 -2.0 200 225 A L S < S- 0 0 28 -4,-1.1 3,-0.1 -3,-0.4 4,-0.0 -0.577 83.4-100.9 -76.6 146.1 52.0 51.5 0.5 201 226 A P > - 0 0 69 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.312 50.2 -86.5 -58.5 150.0 55.0 49.2 0.2 202 227 A A T 3 S+ 0 0 104 1,-0.2 25,-0.2 -3,-0.1 3,-0.1 -0.233 114.6 38.9 -48.7 141.0 54.3 45.8 -1.6 203 228 A G T 3 S+ 0 0 27 1,-0.2 25,-3.5 23,-0.1 2,-0.5 0.383 84.7 124.9 97.7 -4.2 53.1 43.2 0.8 204 229 A W < - 0 0 44 -3,-1.3 2,-0.2 23,-0.2 -1,-0.2 -0.824 50.5-144.3-101.3 120.1 50.8 45.4 2.9 205 230 A F E -C 225 0A 49 20,-2.7 20,-1.3 -2,-0.5 2,-0.4 -0.552 21.9-176.3 -63.7 135.1 47.1 44.7 3.5 206 231 A I E +C 224 0A 10 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.992 17.3 160.1-137.4 137.3 44.8 47.8 3.6 207 232 A A E +C 223 0A 0 16,-1.8 16,-2.4 -2,-0.4 2,-0.3 -0.965 25.4 155.4-139.5 146.8 41.1 48.2 4.3 208 233 A D E -C 222 0A 0 -22,-2.0 2,-0.3 -2,-0.3 14,-0.2 -0.987 38.5-149.6-160.7 162.9 39.6 51.5 5.4 209 234 A K E -C 221 0A 0 12,-2.1 12,-2.3 -2,-0.3 2,-0.2 -0.945 24.8-161.4-139.6 133.3 36.9 54.1 5.8 210 235 A T E -C 220 0A 9 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.572 4.1-166.9-105.6 165.0 37.7 57.9 5.8 211 236 A G E -C 219 0A 2 8,-2.0 8,-2.1 -166,-0.2 2,-0.3 -0.978 4.3-170.7-145.9 158.1 35.8 60.9 7.1 212 237 A A E +C 218 0A 38 -2,-0.3 -167,-0.3 6,-0.2 6,-0.3 -0.985 14.2 158.6-146.6 145.6 36.0 64.7 6.8 213 238 A G - 0 0 13 4,-2.8 3,-0.5 -2,-0.3 -67,-0.2 -0.783 40.8 -52.5-147.7-162.9 34.1 67.5 8.5 214 240 A E S > S+ 0 0 112 -69,-2.3 3,-1.9 -2,-0.2 26,-0.3 -0.280 107.1 29.2 -78.1 161.9 34.2 71.2 9.4 215 241 A R T 3 S- 0 0 107 1,-0.3 26,-1.4 24,-0.1 25,-0.7 0.836 137.8 -53.9 58.8 35.8 37.0 73.0 11.2 216 242 A G T 3 S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.376 86.7 165.5 84.6 -4.5 39.6 70.7 9.8 217 243 A A < + 0 0 0 -3,-1.9 -4,-2.8 -72,-0.1 2,-0.3 -0.203 8.3 156.8 -48.9 124.1 38.0 67.5 11.0 218 244 A R E +CD 212 238A 33 20,-1.9 20,-2.9 -6,-0.3 2,-0.3 -0.991 8.8 160.9-150.7 149.8 39.5 64.5 9.3 219 245 A G E -CD 211 237A 1 -8,-2.1 -8,-2.0 -2,-0.3 2,-0.3 -0.999 20.8-160.1-164.9 165.2 39.9 60.8 10.0 220 246 A I E -CD 210 236A 19 16,-2.2 16,-2.4 -2,-0.3 2,-0.4 -0.979 5.7-162.5-148.6 139.2 40.5 57.2 9.0 221 247 A V E +CD 209 235A 0 -12,-2.3 -12,-2.1 -2,-0.3 2,-0.3 -0.997 33.5 169.3-115.0 131.4 39.7 53.8 10.5 222 248 A A E -CD 208 234A 7 12,-2.5 12,-2.8 -2,-0.4 2,-0.4 -0.961 39.0-141.2-145.0 151.4 41.9 51.1 8.9 223 249 A L E +CD 207 233A 1 -16,-2.4 -16,-1.8 -2,-0.3 2,-0.3 -0.987 37.7 169.1-111.2 135.3 43.1 47.6 9.0 224 250 A L E +CD 206 232A 11 8,-2.3 8,-2.6 -2,-0.4 7,-0.7 -0.977 6.2 144.5-147.0 147.2 46.7 47.3 8.0 225 251 A G E -C 205 0A 0 -20,-1.3 -20,-2.7 -2,-0.3 3,-0.3 -0.879 37.6-109.3 177.2 155.2 49.5 44.7 8.1 226 252 A P S > S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 -22,-0.2 -0.164 93.7 42.3 -78.4 176.4 52.6 43.2 6.4 227 254 A N T 3 S- 0 0 143 1,-0.3 -23,-0.2 -25,-0.2 -24,-0.1 0.835 131.5 -70.3 50.7 35.3 52.8 39.8 4.7 228 255 A N T 3 S+ 0 0 124 -25,-3.5 2,-0.4 -3,-0.3 -1,-0.3 0.713 103.0 127.7 60.7 29.3 49.4 40.5 3.1 229 256 A K < - 0 0 126 -3,-1.7 2,-1.6 -26,-0.3 -24,-0.3 -0.935 68.8-122.9-128.3 134.5 47.5 40.2 6.4 230 257 A A + 0 0 21 -2,-0.4 -5,-0.2 1,-0.2 3,-0.1 -0.559 51.7 153.7 -70.1 89.5 45.1 42.4 8.3 231 258 A E + 0 0 50 -2,-1.6 -205,-2.4 -7,-0.7 -204,-0.5 0.839 50.5 24.9 -93.9 -39.7 47.2 42.6 11.5 232 259 A R E -AD 25 224A 12 -8,-2.6 -8,-2.3 -207,-0.2 2,-0.4 -0.958 63.0-130.4-131.3 145.0 46.3 45.9 13.3 233 260 A I E -AD 24 223A 0 -209,-2.7 -209,-2.8 -2,-0.4 2,-0.4 -0.830 26.7-166.0 -83.0 133.5 43.5 48.3 13.6 234 261 A V E -AD 23 222A 8 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.5 -0.993 7.4-177.2-123.6 123.6 44.6 51.9 13.1 235 262 A V E +AD 22 221A 0 -213,-2.6 -213,-2.0 -2,-0.4 2,-0.4 -0.988 5.0 174.9-118.5 125.1 42.4 54.8 14.0 236 263 A I E +AD 21 220A 4 -16,-2.4 -16,-2.2 -2,-0.5 2,-0.4 -0.992 1.4 177.1-133.0 122.7 43.5 58.4 13.4 237 264 A Y E -AD 20 219A 1 -217,-2.9 -217,-2.9 -2,-0.4 2,-0.3 -0.959 7.9-168.9-122.7 145.8 41.4 61.5 13.9 238 265 A L E +AD 19 218A 1 -20,-2.9 -20,-1.9 -2,-0.4 2,-0.3 -0.955 12.7 171.6-124.6 147.7 42.3 65.3 13.5 239 266 A R E +A 18 0A 11 -221,-2.0 -221,-2.0 -2,-0.3 -23,-0.1 -0.982 50.3 24.2-150.6 155.4 40.1 68.2 14.7 240 267 A D S S+ 0 0 57 -25,-0.7 -24,-0.2 -26,-0.3 -1,-0.1 0.881 77.0 132.0 60.0 49.3 40.3 72.0 15.1 241 268 A T - 0 0 4 -26,-1.4 -1,-0.2 -224,-0.2 -225,-0.1 -0.992 50.8-151.1-127.8 139.0 42.9 72.8 12.5 242 269 A P + 0 0 119 0, 0.0 -26,-0.1 0, 0.0 -226,-0.1 0.480 57.8 127.0 -80.6 -2.3 42.6 75.5 9.8 243 270 A A - 0 0 19 -228,-0.5 -2,-0.1 1,-0.1 -228,-0.1 -0.126 66.4 -95.6 -67.1 152.9 44.9 73.5 7.4 244 271 A S > - 0 0 55 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.096 32.2-113.0 -52.4 155.2 44.1 72.6 3.8 245 272 A M H > S+ 0 0 75 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.926 118.8 57.1 -55.2 -44.5 42.6 69.1 3.0 246 273 A A H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 109.0 43.9 -56.6 -43.7 45.9 68.3 1.2 247 274 A E H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 112.1 51.7 -73.6 -37.0 47.9 69.0 4.4 248 275 A R H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 112.7 47.2 -59.7 -47.4 45.5 67.1 6.6 249 276 A N H X S+ 0 0 62 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.926 111.6 50.6 -56.4 -49.6 45.8 64.2 4.2 250 277 A Q H X S+ 0 0 129 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.841 109.9 50.5 -57.6 -38.1 49.6 64.5 4.1 251 278 A Q H X S+ 0 0 28 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.0 47.5 -70.7 -45.1 49.8 64.5 7.9 252 279 A I H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 112.8 51.8 -60.2 -40.0 47.7 61.4 8.4 253 280 A A H X S+ 0 0 61 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.887 107.9 51.3 -61.1 -44.7 49.9 59.7 5.7 254 281 A G H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.874 108.5 50.7 -60.5 -42.7 53.1 60.7 7.5 255 282 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.935 111.4 48.6 -58.5 -49.6 51.7 59.2 10.7 256 283 A G H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.929 109.8 52.8 -53.3 -47.5 50.9 56.0 8.8 257 284 A A H X S+ 0 0 41 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.859 106.7 51.8 -58.5 -38.9 54.4 56.0 7.3 258 285 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 110.8 48.6 -63.8 -43.8 56.0 56.2 10.8 259 286 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.931 114.3 45.3 -60.4 -47.3 53.9 53.2 11.9 260 287 A I H >< S+ 0 0 30 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.865 114.8 47.0 -65.5 -43.0 54.9 51.2 8.8 261 288 A E H 3< S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.854 123.2 34.6 -67.7 -34.8 58.6 52.1 9.0 262 289 A H T 3< S+ 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.223 81.1 133.9-115.4 37.5 58.7 51.4 12.8 263 290 A W < + 0 0 25 -3,-0.9 -1,-0.2 2,-0.1 2,-0.1 0.854 37.9 94.7 -56.2 -49.3 56.2 48.4 12.8 264 291 A Q 0 0 184 -3,-0.2 -3,-0.0 -4,-0.2 -4,-0.0 -0.333 360.0 360.0 -58.1 121.0 58.1 45.9 14.9 265 292 A R 0 0 103 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.139 360.0 360.0-123.1 360.0 56.9 46.3 18.5