==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-99 1SHV . COMPND 2 MOLECULE: PROTEIN (BETA-LACTAMASE SHV-1); . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR A.P.KUZIN,M.NUKAGA,Y.NUKAGA,A.HUJER,R.A.BONOMO,J.R.KNOX . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 70.6 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 . 40 15.1 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 . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 2 1 2 1 1 0 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 . 1 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 . 1 1 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 94 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 -45.6 37.1 30.6 10.5 2 27 A P - 0 0 53 0, 0.0 260,-0.1 0, 0.0 259,-0.1 -0.447 360.0 -65.8 -87.8 169.2 37.0 31.5 14.2 3 28 A Q > - 0 0 114 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.249 51.8-116.3 -52.6 140.6 35.2 29.3 16.9 4 29 A P H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.805 113.5 50.3 -53.6 -34.6 31.4 29.3 16.2 5 30 A L H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.913 113.4 45.1 -73.5 -38.9 30.5 31.1 19.5 6 31 A E H > S+ 0 0 89 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.886 113.8 50.0 -71.5 -33.7 33.1 33.9 19.0 7 32 A Q H X S+ 0 0 23 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.920 107.3 53.8 -68.9 -41.6 31.9 34.2 15.3 8 33 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.890 108.8 50.8 -60.8 -35.1 28.2 34.4 16.5 9 34 A K H X S+ 0 0 84 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.917 108.9 50.5 -69.8 -39.1 29.3 37.3 18.8 10 35 A L H X S+ 0 0 85 -4,-1.9 4,-1.5 1,-0.2 5,-0.2 0.928 107.8 53.4 -63.9 -43.1 31.1 39.1 15.9 11 36 A S H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.883 110.3 47.7 -59.1 -40.3 27.9 38.8 13.7 12 37 A E H X>S+ 0 0 31 -4,-1.6 4,-1.3 1,-0.2 5,-1.2 0.910 113.6 46.0 -71.0 -40.1 25.8 40.4 16.5 13 38 A S H <5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 117.9 44.9 -76.1 -15.9 28.2 43.3 17.1 14 39 A Q H <5S+ 0 0 119 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.743 116.6 43.7 -96.4 -25.2 28.5 43.8 13.2 15 40 A L H <5S- 0 0 8 -4,-1.8 228,-0.5 -5,-0.2 -2,-0.2 0.648 99.3-135.7 -91.0 -16.2 24.7 43.6 12.6 16 41 A S T <5S+ 0 0 94 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.889 72.6 92.8 63.3 37.2 23.9 45.8 15.6 17 42 A G S -A 232 0A 25 5,-2.9 4,-1.5 -2,-0.3 207,-0.2 -0.645 22.5-150.9 -79.6 124.8 22.6 16.7 18.1 26 51 A L T 4 S+ 0 0 29 205,-2.0 -1,-0.2 -2,-0.5 206,-0.1 0.922 90.9 44.3 -63.7 -46.4 19.6 15.2 16.2 27 52 A A T 4 S+ 0 0 84 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.947 132.0 16.9 -67.9 -50.8 20.0 11.6 17.6 28 53 A S T 4 S- 0 0 75 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.747 92.9-128.5 -97.7 -24.4 20.5 12.4 21.3 29 54 A G < + 0 0 24 -4,-1.5 2,-0.2 1,-0.3 -3,-0.1 0.600 50.5 156.3 86.7 11.3 19.3 16.0 21.5 30 55 A R - 0 0 123 -6,-0.1 -5,-2.9 1,-0.1 2,-0.6 -0.510 42.9-127.7 -71.2 134.9 22.5 17.2 23.3 31 56 A T E +B 24 0A 74 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.733 28.5 177.8 -86.7 120.2 23.1 21.0 22.7 32 57 A L E + 0 0 36 -9,-3.1 2,-0.4 -2,-0.6 -1,-0.2 0.914 69.9 13.6 -87.7 -48.7 26.6 21.6 21.3 33 58 A T E +B 23 0A 21 -10,-1.2 -10,-2.9 2,-0.0 2,-0.3 -0.966 65.4 172.3-130.7 145.1 26.4 25.5 20.9 34 59 A A E +B 22 0A 44 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.946 8.5 173.7-153.8 131.5 23.9 28.0 22.2 35 60 A W E S-B 21 0A 54 -14,-2.5 -14,-2.6 -2,-0.3 4,-0.1 -0.983 85.0 -13.6-139.4 120.8 23.7 31.8 22.2 36 61 A R S > S+ 0 0 62 -2,-0.4 3,-1.2 -16,-0.2 123,-0.1 0.869 86.0 155.5 53.4 35.3 20.5 33.6 23.5 37 62 A A T 3 S+ 0 0 11 1,-0.3 122,-1.8 -16,-0.1 123,-0.5 0.769 70.5 44.3 -64.3 -26.6 18.9 30.1 23.2 38 63 A D T 3 S+ 0 0 139 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.391 94.8 99.5-100.5 5.2 16.2 31.0 25.9 39 64 A E S < S- 0 0 59 -3,-1.2 2,-0.2 -4,-0.1 120,-0.1 -0.690 77.0-112.0 -92.9 145.0 15.5 34.4 24.4 40 65 A R + 0 0 77 -2,-0.3 117,-0.2 117,-0.2 -2,-0.1 -0.454 35.4 173.1 -77.4 146.3 12.4 34.9 22.1 41 66 A F E -E 156 0B 0 115,-2.4 115,-2.1 -2,-0.2 2,-0.1 -0.981 42.1 -94.9-146.6 147.0 12.6 35.7 18.4 42 67 A P E -E 155 0B 7 0, 0.0 113,-0.2 0, 0.0 196,-0.1 -0.382 27.8-146.3 -64.9 139.1 9.8 35.9 15.8 43 68 A M > + 0 0 3 111,-2.0 3,-1.1 101,-0.1 112,-0.1 0.916 29.5 175.7 -75.2 -44.1 9.4 32.5 14.0 44 69 A M G > - 0 0 2 110,-0.5 3,-1.4 100,-0.4 4,-0.2 -0.412 67.7 -17.3 70.1-146.4 8.3 34.0 10.6 45 70 A S G > S+ 0 0 11 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.478 123.6 81.5 -72.3 1.7 7.8 31.5 7.7 46 71 A T G X> S+ 0 0 0 -3,-1.1 3,-1.1 1,-0.2 4,-0.7 0.722 75.7 71.9 -79.7 -16.4 9.8 28.8 9.7 47 72 A F H <> S+ 0 0 1 -3,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.725 79.6 79.6 -68.3 -17.8 6.6 28.0 11.8 48 73 A K H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.793 88.1 52.5 -61.5 -30.3 5.3 26.4 8.5 49 74 A V H <> S+ 0 0 1 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.935 113.5 43.6 -72.2 -42.3 7.4 23.1 9.2 50 75 A V H X S+ 0 0 2 -4,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.895 113.3 53.8 -67.2 -37.0 5.8 22.9 12.7 51 76 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.946 109.8 45.1 -62.6 -48.8 2.4 23.8 11.1 52 77 A a H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.788 105.9 63.4 -69.1 -20.8 2.7 20.9 8.6 53 78 A G H X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.912 103.8 46.3 -68.0 -40.2 3.9 18.6 11.5 54 79 A A H X S+ 0 0 6 -4,-1.6 4,-1.4 -3,-0.3 -2,-0.2 0.840 109.9 55.8 -71.1 -29.6 0.4 19.1 13.1 55 80 A V H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.944 108.1 46.4 -67.1 -45.8 -1.2 18.4 9.7 56 81 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 119,-0.2 0.806 106.8 60.0 -67.6 -25.6 0.7 15.0 9.5 57 82 A A H X S+ 0 0 7 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.890 106.6 46.2 -70.0 -34.7 -0.4 14.3 13.1 58 83 A R H <>S+ 0 0 80 -4,-1.4 5,-3.4 -3,-0.3 6,-1.4 0.861 111.5 50.5 -75.4 -33.7 -4.2 14.6 12.0 59 84 A V H ><5S+ 0 0 39 -4,-1.8 3,-1.2 4,-0.3 -2,-0.2 0.916 110.1 51.6 -68.3 -39.0 -3.5 12.4 8.9 60 85 A D H 3<5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 110.4 48.5 -64.3 -34.3 -1.9 9.9 11.4 61 86 A A T 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.405 118.4-113.7 -87.3 3.2 -5.0 10.1 13.6 62 87 A G T < 5S+ 0 0 62 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.768 91.0 110.7 71.7 23.9 -7.3 9.5 10.6 63 88 A D S - 0 0 99 -2,-0.3 3,-1.1 1,-0.1 29,-0.4 -0.997 16.6-143.6-134.7 129.5 -5.9 13.1 4.3 66 91 A L T 3 S+ 0 0 30 -2,-0.4 29,-2.3 1,-0.2 30,-0.4 0.677 105.8 58.6 -67.5 -9.2 -3.0 14.6 2.4 67 92 A E T 3 S+ 0 0 145 27,-0.2 -1,-0.2 26,-0.1 29,-0.0 0.729 76.4 113.7 -89.8 -22.7 -5.1 13.8 -0.7 68 93 A R < - 0 0 89 -3,-1.1 26,-2.1 25,-0.1 2,-0.5 -0.258 65.1-136.2 -52.6 125.1 -8.1 15.9 0.4 69 94 A K E -G 93 0C 92 24,-0.3 2,-0.5 25,-0.1 24,-0.3 -0.716 14.2-156.8 -88.5 127.8 -8.5 18.8 -2.1 70 95 A I E -G 92 0C 23 22,-3.2 22,-2.0 -2,-0.5 2,-0.4 -0.866 4.5-154.2-105.0 133.9 -9.3 22.2 -0.5 71 96 A H + 0 0 122 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.866 18.2 174.8-107.2 139.8 -11.0 24.8 -2.7 72 97 A Y - 0 0 11 -2,-0.4 2,-0.2 15,-0.3 19,-0.1 -0.871 23.8-119.9-137.8 170.6 -10.5 28.6 -2.0 73 98 A R > - 0 0 89 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.704 30.0-111.2-109.7 163.6 -11.5 31.9 -3.5 74 99 A Q G > S+ 0 0 128 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.861 118.6 64.4 -62.0 -31.9 -9.3 34.8 -4.7 75 100 A Q G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.698 95.9 59.4 -64.1 -18.7 -10.6 36.8 -1.7 76 101 A D G < S+ 0 0 77 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.565 85.8 100.5 -86.4 -10.9 -8.8 34.2 0.5 77 102 A L < - 0 0 40 -3,-1.6 2,-0.2 -4,-0.4 3,-0.1 -0.539 52.3-170.0 -79.9 142.6 -5.4 35.0 -1.0 78 103 A V - 0 0 46 -2,-0.2 30,-0.2 1,-0.1 29,-0.1 -0.628 45.1 -51.9-118.7 179.2 -2.9 37.2 0.8 79 104 A D S S+ 0 0 126 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.281 116.1 21.8 -57.4 136.1 0.4 38.8 -0.3 80 105 A Y + 0 0 124 1,-0.1 27,-2.4 27,-0.1 28,-0.5 0.996 62.0 153.3 69.4 82.1 2.9 36.3 -1.9 81 106 A S > + 0 0 7 25,-0.2 4,-1.2 26,-0.2 5,-0.3 -0.656 9.1 171.5-134.9 73.3 1.1 33.1 -3.2 82 107 A P T 4 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.808 82.3 15.3 -56.6 -35.3 3.4 31.8 -6.0 83 108 A V T >4 S+ 0 0 32 2,-0.1 3,-0.7 17,-0.1 4,-0.2 0.784 118.4 61.2-111.7 -39.8 1.5 28.5 -6.4 84 109 A S G >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 7,-0.1 0.833 101.2 57.1 -61.8 -28.3 -1.9 28.8 -4.6 85 110 A E G >< S+ 0 0 93 -4,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.853 99.8 59.8 -71.4 -27.7 -2.9 31.8 -6.9 86 111 A K G < S+ 0 0 129 -3,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.492 105.6 50.5 -77.4 1.8 -2.3 29.4 -9.9 87 112 A H G <> + 0 0 50 -3,-1.3 4,-1.6 -4,-0.2 -15,-0.3 -0.039 61.7 124.0-130.3 38.1 -5.0 27.0 -8.6 88 113 A L T <4 S+ 0 0 39 -3,-0.8 -16,-0.1 1,-0.2 -1,-0.1 0.708 86.0 37.6 -69.6 -19.6 -8.2 29.1 -7.8 89 114 A A T 4 S+ 0 0 94 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.800 125.7 33.1-100.0 -39.1 -10.3 26.9 -10.1 90 115 A D T 4 S- 0 0 76 1,-0.1 -2,-0.2 -4,-0.1 -3,-0.1 0.627 96.4-147.2 -93.3 -15.4 -8.9 23.3 -9.5 91 116 A G < - 0 0 1 -4,-1.6 2,-0.3 -7,-0.1 -20,-0.2 -0.131 15.3-100.5 73.5-177.5 -8.0 23.8 -5.8 92 117 A M E -G 70 0C 2 -22,-2.0 -22,-3.2 -4,-0.1 2,-0.1 -0.990 26.1-113.7-142.1 148.2 -5.0 22.1 -4.1 93 118 A T E > -G 69 0C 28 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.3 -0.433 32.7-108.2 -81.3 160.1 -4.7 19.0 -1.8 94 119 A V H > S+ 0 0 0 -26,-2.1 4,-1.8 -29,-0.4 -28,-0.2 0.873 122.6 51.4 -54.8 -37.3 -3.5 19.2 1.8 95 120 A G H > S+ 0 0 14 -29,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.934 110.3 48.3 -67.2 -42.6 -0.2 17.6 0.8 96 121 A E H > S+ 0 0 75 -30,-0.4 4,-2.8 1,-0.2 5,-0.3 0.888 108.5 54.1 -64.9 -39.3 0.3 20.2 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.908 108.8 48.7 -63.9 -39.0 -0.5 23.1 0.4 98 123 A a H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.3 0.901 112.5 49.1 -68.8 -36.0 2.2 21.8 2.8 99 124 A A H X>S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 5,-1.0 0.956 112.8 46.0 -67.6 -47.7 4.7 21.6 -0.1 100 125 A A H X5S+ 0 0 5 -4,-2.8 6,-2.7 1,-0.2 4,-0.5 0.909 114.6 49.9 -61.6 -39.8 3.9 25.1 -1.4 101 126 A A H <5S+ 0 0 0 -4,-2.2 -1,-0.2 4,-0.3 -2,-0.2 0.904 121.9 29.4 -68.5 -42.2 4.1 26.5 2.2 102 127 A I H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.945 128.7 33.7 -87.1 -52.7 7.5 24.9 3.1 103 128 A T H <5S+ 0 0 11 -4,-1.9 87,-1.4 -5,-0.3 88,-0.4 0.896 138.2 21.0 -73.1 -38.4 9.5 24.6 -0.3 104 129 A M S < - 0 0 0 -6,-2.7 4,-1.5 1,-0.2 -25,-0.2 -0.530 15.2-155.2 -68.9 121.0 3.5 30.4 -0.1 107 132 A N H > S+ 0 0 16 -27,-2.4 4,-1.7 -2,-0.4 34,-0.2 0.862 92.5 50.5 -67.8 -36.1 1.7 32.6 2.6 108 133 A S H > S+ 0 0 0 -28,-0.5 4,-2.6 -30,-0.2 5,-0.2 0.852 105.2 58.0 -72.4 -30.7 -1.8 31.7 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.954 106.9 48.5 -62.2 -46.4 -0.9 27.9 1.6 110 135 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.898 112.5 47.1 -61.5 -42.5 0.0 28.4 5.3 111 136 A N H X S+ 0 0 23 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.955 111.2 51.4 -66.7 -44.7 -3.3 30.2 6.1 112 137 A L H X S+ 0 0 25 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.913 115.0 43.0 -58.1 -40.9 -5.3 27.6 4.2 113 138 A L H >X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 3,-0.9 0.871 107.8 61.2 -72.4 -35.3 -3.5 24.8 6.3 114 139 A L H 3<>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.3 3,-0.4 0.902 98.3 57.0 -57.8 -41.1 -3.9 27.0 9.5 115 140 A A H 3<5S+ 0 0 67 -4,-2.0 3,-0.3 1,-0.2 -1,-0.3 0.760 103.6 54.3 -65.2 -22.4 -7.7 26.8 9.1 116 141 A T H <<5S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.810 107.5 47.8 -83.7 -26.3 -7.5 22.9 9.2 117 142 A V T <5S- 0 0 19 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.382 127.8 -91.9 -94.9 8.5 -5.6 22.7 12.5 118 143 A G T >5 - 0 0 52 -4,-0.4 4,-1.5 -3,-0.3 3,-0.2 0.787 69.6 -72.7 91.9 30.2 -7.9 25.1 14.3 119 144 A G H > S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 17,-0.5 0.846 142.7 54.5 -55.5 -31.2 -2.9 29.7 15.4 121 146 A A H > S+ 0 0 73 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 105.4 51.7 -69.8 -39.4 -4.5 28.8 18.7 122 147 A G H X S+ 0 0 23 -4,-1.5 4,-1.3 -3,-0.3 -1,-0.2 0.863 112.3 47.5 -64.0 -32.4 -5.2 25.2 17.5 123 148 A L H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.854 108.9 52.4 -78.7 -33.3 -1.5 25.0 16.5 124 149 A T H X S+ 0 0 26 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.883 107.7 53.3 -69.8 -33.8 -0.3 26.4 19.9 125 150 A A H X S+ 0 0 55 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.917 108.1 49.6 -66.5 -39.5 -2.4 23.7 21.7 126 151 A F H X S+ 0 0 20 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.885 110.6 51.2 -66.4 -35.2 -0.7 21.0 19.6 127 152 A L H <>S+ 0 0 2 -4,-1.8 5,-2.7 2,-0.2 3,-0.5 0.950 112.8 44.1 -66.7 -47.1 2.7 22.5 20.5 128 153 A R H ><5S+ 0 0 76 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.923 112.4 53.3 -63.5 -41.3 1.8 22.4 24.3 129 154 A Q H 3<5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 108.9 51.3 -65.0 -20.9 0.3 18.9 23.8 130 155 A I T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.473 129.7 -93.2 -96.1 -1.3 3.7 17.9 22.3 131 156 A G T < 5S+ 0 0 41 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.2 0.409 87.6 123.5 107.0 -3.5 5.8 19.3 25.2 132 157 A D < + 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.795 24.2 166.4 -93.8 115.9 6.5 22.8 23.8 133 158 A N S S+ 0 0 118 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.431 71.5 47.4-107.4 0.4 5.3 25.4 26.4 134 159 A V S S+ 0 0 51 -7,-0.1 21,-0.2 23,-0.1 -2,-0.1 0.831 84.9 85.8-107.6 -49.2 7.1 28.5 25.0 135 160 A T + 0 0 1 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.279 57.2 176.3 -56.2 131.9 6.4 28.6 21.1 136 161 A R B -F 155 0B 63 19,-2.2 19,-0.6 16,-0.2 2,-0.5 -0.990 24.7-155.0-145.0 136.6 3.1 30.3 20.4 137 162 A L + 0 0 4 -17,-0.5 -13,-0.2 -2,-0.4 -14,-0.1 -0.907 22.7 161.5-108.1 128.8 1.3 31.3 17.2 138 163 A D + 0 0 55 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.712 56.1 33.5-119.0 -38.0 -1.1 34.3 17.6 139 164 A R S S- 0 0 37 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.628 70.9-119.6-116.2 177.9 -1.8 35.8 14.1 140 165 A W >> - 0 0 92 -2,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.468 59.0 -26.7-104.1-177.1 -2.2 34.5 10.5 141 166 A E T 34 S+ 0 0 2 1,-0.3 -1,-0.1 -34,-0.2 -62,-0.0 -0.541 122.4 2.6 -76.3 139.8 -0.2 35.5 7.4 142 167 A T T >4 S+ 0 0 40 -2,-0.2 3,-1.6 -64,-0.1 -1,-0.3 -0.937 117.1 67.6-110.4 18.5 1.1 37.9 7.0 143 168 A E G X4 S+ 0 0 106 -3,-0.6 3,-1.4 1,-0.3 4,-0.2 0.791 90.5 71.2 -62.8 -25.4 0.5 39.8 10.3 144 169 A L G 3< S+ 0 0 5 -4,-1.6 -100,-0.4 1,-0.2 -1,-0.3 0.541 90.7 60.6 -71.3 -0.8 2.8 37.3 12.2 145 170 A N G < + 0 0 17 -3,-1.6 69,-2.0 1,-0.1 -1,-0.2 0.481 69.5 104.0-101.4 -4.9 5.9 38.8 10.5 146 171 A E < - 0 0 63 -3,-1.4 -1,-0.1 -4,-0.2 -2,-0.1 0.832 65.8-158.8 -45.3 -37.7 5.4 42.4 11.9 147 172 A A - 0 0 13 -4,-0.2 93,-0.1 -3,-0.2 -1,-0.1 0.915 10.3-169.0 56.6 48.8 8.3 41.7 14.4 148 173 A L > - 0 0 58 1,-0.1 3,-1.9 5,-0.1 -1,-0.2 -0.522 30.4-106.7 -69.5 129.3 7.3 44.4 16.9 149 174 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.296 102.8 13.4 -58.7 136.8 10.1 44.8 19.5 150 175 A G T 3 S+ 0 0 81 1,-0.2 2,-0.6 -3,-0.1 -2,-0.1 0.462 94.6 130.2 77.5 -0.2 9.1 43.4 22.9 151 176 A D < - 0 0 38 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.0 -0.765 40.6-169.5 -91.7 121.1 6.1 41.5 21.4 152 177 A A > + 0 0 34 -2,-0.6 3,-1.1 -3,-0.1 -16,-0.2 0.495 49.9 119.6 -84.2 -3.1 6.0 37.7 22.4 153 178 A R T 3 S+ 0 0 89 1,-0.2 -16,-0.1 -5,-0.1 -6,-0.1 -0.365 83.9 2.9 -63.6 143.9 3.2 37.1 19.8 154 179 A D T 3 S+ 0 0 2 1,-0.2 -111,-2.0 -112,-0.1 -110,-0.5 0.858 106.8 128.4 50.6 40.8 4.1 34.5 17.1 155 180 A T E < +EF 42 136B 2 -3,-1.1 -19,-2.2 -19,-0.6 2,-0.3 -0.678 33.8 175.0-120.4 179.2 7.5 33.8 18.7 156 181 A T E -E 41 0B 0 -115,-2.1 -115,-2.4 -21,-0.2 3,-0.1 -0.888 29.0-114.5-158.2-175.3 9.7 30.9 19.9 157 182 A T > - 0 0 7 -2,-0.3 4,-2.5 -117,-0.2 5,-0.3 -0.950 29.2-113.0-131.3 151.9 13.3 30.5 21.2 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.929 118.3 51.2 -53.8 -43.9 16.1 28.7 19.4 159 184 A A H > S+ 0 0 29 -122,-1.8 4,-1.9 2,-0.2 5,-0.1 0.886 113.5 45.2 -60.2 -39.5 16.2 26.0 22.2 160 185 A S H > S+ 0 0 21 -123,-0.5 4,-2.6 -3,-0.3 5,-0.3 0.966 112.9 46.9 -71.5 -52.8 12.4 25.4 21.9 161 186 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.912 114.2 50.1 -56.6 -41.5 12.1 25.3 18.0 162 187 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.953 112.1 45.9 -63.0 -48.9 15.1 22.9 17.9 163 188 A A H X S+ 0 0 37 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.887 114.9 47.7 -63.3 -37.3 13.6 20.5 20.6 164 189 A T H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.926 111.5 50.3 -70.6 -41.6 10.2 20.6 18.8 165 190 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.925 112.6 47.3 -61.9 -42.0 11.8 19.9 15.3 166 191 A R H X>S+ 0 0 50 -4,-2.3 4,-1.4 -5,-0.2 5,-0.7 0.952 111.1 51.4 -64.9 -45.7 13.7 17.0 16.8 167 192 A K H X5S+ 0 0 62 -4,-2.2 4,-1.1 1,-0.2 6,-0.3 0.889 113.0 45.5 -58.2 -40.9 10.5 15.6 18.5 168 193 A L H <5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 119.3 40.1 -73.9 -33.3 8.6 15.8 15.1 169 194 A L H <5S+ 0 0 15 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.507 133.0 17.7 -97.2 -2.7 11.4 14.2 13.0 170 195 A T H <5S+ 0 0 55 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.581 98.6 90.4-138.8 -24.8 12.6 11.5 15.5 171 196 A S S >< - 0 0 51 -2,-0.4 4,-2.8 -119,-0.2 5,-0.3 -0.209 34.4-102.3 -65.0 161.2 4.4 7.7 12.0 176 201 A A H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 121.7 46.7 -53.7 -52.2 7.5 6.7 9.8 177 202 A R H > S+ 0 0 194 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 113.9 49.3 -59.2 -42.6 5.9 7.8 6.4 178 203 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.953 112.9 45.9 -60.7 -48.8 4.7 11.2 8.0 179 204 A Q H X S+ 0 0 32 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.882 113.2 52.0 -60.5 -37.0 8.2 11.8 9.5 180 205 A R H X S+ 0 0 172 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.865 110.7 47.9 -68.3 -35.7 9.6 10.8 6.0 181 206 A Q H X S+ 0 0 60 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.945 109.1 51.2 -72.3 -48.5 7.3 13.3 4.3 182 207 A L H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.934 112.1 47.8 -56.6 -44.2 8.1 16.3 6.6 183 208 A L H X S+ 0 0 39 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.925 109.6 53.6 -63.3 -42.7 11.9 15.8 6.1 184 209 A Q H X S+ 0 0 87 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.902 104.7 54.0 -61.2 -39.6 11.4 15.5 2.2 185 210 A W H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.911 110.4 49.2 -60.7 -39.4 9.5 18.9 2.2 186 211 A M H >< S+ 0 0 0 -4,-1.4 22,-1.8 -5,-0.2 3,-1.3 0.909 110.1 46.5 -69.7 -43.6 12.5 20.4 3.9 187 212 A V H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 20,-0.3 -2,-0.2 0.707 110.4 58.8 -73.4 -13.0 15.3 19.1 1.6 188 213 A D T 3< S+ 0 0 51 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.2 0.273 70.7 137.3 -97.3 13.3 13.0 20.2 -1.3 189 214 A D < - 0 0 2 -3,-1.3 4,-0.2 19,-0.2 -86,-0.2 -0.428 35.0-168.8 -61.4 121.8 12.9 23.9 -0.3 190 215 A R S S+ 0 0 148 -87,-1.4 -1,-0.2 -2,-0.3 -86,-0.1 0.297 73.7 69.1 -95.3 9.8 13.4 25.8 -3.6 191 216 A V S S- 0 0 65 -88,-0.4 -1,-0.1 3,-0.0 -87,-0.1 0.891 126.4 -13.0 -93.9 -52.2 14.0 29.2 -1.7 192 217 A A S > S+ 0 0 11 -89,-0.1 4,-2.7 16,-0.1 5,-0.3 0.545 113.5 89.5-126.0 -16.4 17.4 28.9 -0.0 193 218 A G H > S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 96.2 36.7 -47.4 -63.9 18.1 25.1 -0.3 194 219 A P H > S+ 0 0 69 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.818 115.7 55.9 -63.0 -32.3 19.9 25.1 -3.7 195 220 A L H > S+ 0 0 110 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.930 112.2 42.1 -67.7 -42.4 21.6 28.5 -2.9 196 221 A I H >X S+ 0 0 36 -4,-2.7 3,-1.4 1,-0.2 4,-1.1 0.950 112.3 53.0 -69.9 -47.1 23.1 27.0 0.3 197 222 A R H 3< S+ 0 0 101 -4,-2.6 3,-0.3 -5,-0.3 -1,-0.2 0.859 101.0 64.4 -56.2 -33.1 24.0 23.7 -1.4 198 223 A S H 3< S+ 0 0 92 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.819 113.1 30.7 -62.0 -31.3 25.8 25.9 -4.0 199 224 A V H << S+ 0 0 111 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.419 96.4 104.6-110.0 2.9 28.3 27.1 -1.4 200 225 A L S < S- 0 0 32 -4,-1.1 3,-0.1 -3,-0.3 4,-0.1 -0.595 79.7-110.0 -81.6 145.0 28.5 24.1 0.9 201 226 A P > - 0 0 59 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.319 50.1 -83.6 -68.4 154.4 31.6 21.9 0.6 202 227 A A T 3 S+ 0 0 104 1,-0.2 25,-0.2 25,-0.0 3,-0.1 -0.279 113.5 35.6 -61.1 147.8 30.9 18.5 -1.0 203 228 A G T 3 S+ 0 0 27 1,-0.2 25,-2.3 23,-0.1 2,-0.6 0.561 85.1 124.8 87.9 7.6 29.5 15.7 1.3 204 229 A W < - 0 0 43 -3,-0.9 -1,-0.2 23,-0.2 2,-0.2 -0.875 51.6-146.0-107.0 119.2 27.4 18.0 3.4 205 230 A F E -C 225 0A 50 20,-2.5 20,-0.8 -2,-0.6 2,-0.3 -0.509 19.4-175.6 -76.9 144.9 23.7 17.2 3.7 206 231 A I E +C 224 0A 11 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.970 17.5 161.3-148.8 133.8 21.2 20.2 4.0 207 232 A A E +C 223 0A 0 16,-1.2 16,-2.5 -2,-0.3 2,-0.3 -0.988 26.8 150.6-141.0 137.4 17.5 20.4 4.6 208 233 A D E -C 222 0A 0 -22,-1.8 2,-0.3 -2,-0.3 14,-0.2 -0.983 41.3-148.0-161.9 177.8 15.9 23.7 5.8 209 234 A K E -C 221 0A 0 12,-1.8 12,-2.0 -2,-0.3 2,-0.1 -0.891 27.1-170.6-153.8 114.2 13.2 26.3 6.1 210 235 A T E -C 220 0A 10 -2,-0.3 2,-0.3 10,-0.2 10,-0.3 -0.442 1.0-163.4-102.7-179.2 14.2 30.0 6.4 211 236 A G E -C 219 0A 4 8,-2.5 8,-2.2 -2,-0.1 2,-0.3 -0.983 8.1-166.5-157.0 164.4 12.1 33.1 7.3 212 237 A A E +C 218 0A 42 -2,-0.3 6,-0.3 6,-0.3 2,-0.2 -0.953 14.5 163.6-158.3 134.7 12.3 37.0 7.0 213 238 A G - 0 0 17 4,-2.4 3,-0.4 -2,-0.3 4,-0.2 -0.683 43.4 -58.1-137.8-167.1 10.2 39.7 8.7 214 240 A E S > S+ 0 0 94 -69,-2.0 3,-1.7 -2,-0.2 26,-0.3 -0.166 109.5 38.3 -72.9 174.0 10.2 43.5 9.4 215 241 A R T 3 S- 0 0 105 1,-0.3 26,-1.9 24,-0.1 25,-0.6 0.823 136.7 -60.2 52.8 36.7 13.0 45.2 11.5 216 242 A G T 3 S+ 0 0 10 -3,-0.4 -1,-0.3 24,-0.2 -2,-0.2 0.648 85.9 166.0 72.1 14.0 15.7 43.0 9.9 217 243 A A < + 0 0 0 -3,-1.7 -4,-2.4 -4,-0.2 2,-0.3 -0.409 4.4 158.2 -64.2 131.9 14.1 39.8 11.3 218 244 A R E +CD 212 238A 30 20,-1.8 20,-2.4 -6,-0.3 2,-0.3 -0.973 10.0 172.1-154.1 136.7 15.6 36.7 9.5 219 245 A G E -CD 211 237A 0 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.3 -0.981 14.2-165.5-148.2 162.8 15.8 33.1 10.6 220 246 A I E -CD 210 236A 21 16,-2.0 16,-2.2 -2,-0.3 2,-0.5 -0.982 5.3-166.0-149.1 137.0 16.7 29.6 9.4 221 247 A V E +CD 209 235A 0 -12,-2.0 -12,-1.8 -2,-0.3 2,-0.3 -0.989 30.6 167.6-121.1 120.2 16.0 26.1 10.7 222 248 A A E -CD 208 234A 5 12,-2.4 12,-2.5 -2,-0.5 2,-0.5 -0.969 39.4-137.6-141.0 160.2 18.3 23.4 9.1 223 249 A L E +CD 207 233A 2 -16,-2.5 -16,-1.2 -2,-0.3 2,-0.3 -0.951 38.6 168.7-112.3 118.1 19.6 19.8 9.2 224 250 A L E +CD 206 232A 13 8,-2.4 8,-2.9 -2,-0.5 7,-1.7 -0.909 7.6 136.4-131.5 161.5 23.3 19.7 8.5 225 251 A G E -C 205 0A 0 -20,-0.8 -20,-2.5 -2,-0.3 3,-0.3 -0.772 43.8-104.7 165.1 150.2 26.1 17.1 8.7 226 252 A P S > S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 -22,-0.2 -0.145 95.0 47.7 -78.2-179.6 29.1 15.7 6.9 227 254 A N T 3 S- 0 0 129 1,-0.2 -23,-0.2 -25,-0.2 -24,-0.1 0.858 127.1 -75.2 54.0 37.8 29.1 12.3 5.1 228 255 A N T 3 S+ 0 0 120 -25,-2.3 2,-0.4 -3,-0.3 -1,-0.2 0.740 106.6 115.5 49.1 27.6 25.7 13.1 3.3 229 256 A K S < S- 0 0 71 -3,-1.6 2,-0.8 -26,-0.3 -24,-0.3 -0.976 73.8-117.7-128.1 138.7 23.8 12.5 6.6 230 257 A A + 0 0 28 -2,-0.4 -5,-0.2 1,-0.2 3,-0.1 -0.588 45.5 159.1 -73.3 106.9 21.8 15.0 8.8 231 258 A E + 0 0 52 -7,-1.7 -205,-2.0 -2,-0.8 -204,-0.5 0.766 54.7 28.2-101.6 -35.0 23.7 14.9 12.0 232 259 A R E -AD 25 224A 8 -8,-2.9 -8,-2.4 -207,-0.2 2,-0.6 -0.945 62.5-133.7-132.5 156.9 22.7 18.2 13.7 233 260 A I E -AD 24 223A 1 -209,-2.7 -209,-2.7 -2,-0.3 2,-0.5 -0.891 24.4-169.7-104.6 123.7 19.9 20.7 14.0 234 261 A V E -AD 23 222A 8 -12,-2.5 -12,-2.4 -2,-0.6 2,-0.5 -0.960 5.6-177.2-118.6 126.9 20.9 24.3 13.7 235 262 A V E +AD 22 221A 0 -213,-1.7 -213,-1.5 -2,-0.5 2,-0.4 -0.977 4.9 176.1-123.4 119.7 18.5 27.1 14.4 236 263 A I E -AD 21 220A 5 -16,-2.2 -16,-2.0 -2,-0.5 2,-0.4 -0.981 4.9-173.4-126.4 129.5 19.6 30.8 14.0 237 264 A Y E -AD 20 219A 1 -217,-2.9 -217,-2.3 -2,-0.4 2,-0.4 -0.942 5.3-164.0-123.2 145.9 17.3 33.8 14.4 238 265 A L E +AD 19 218A 4 -20,-2.4 -20,-1.8 -2,-0.4 2,-0.3 -0.976 16.3 167.8-126.0 138.4 18.1 37.5 13.7 239 266 A R E +A 18 0A 21 -221,-1.4 -221,-1.6 -2,-0.4 -23,-0.1 -1.000 50.3 18.1-153.7 152.2 16.1 40.4 15.0 240 267 A D S S+ 0 0 60 -25,-0.6 -24,-0.2 -2,-0.3 -1,-0.1 0.944 79.6 134.8 53.9 57.4 16.2 44.3 15.4 241 268 A T - 0 0 6 -26,-1.9 -1,-0.2 -224,-0.1 -225,-0.1 -0.998 48.3-156.9-135.7 132.0 18.9 45.0 12.8 242 269 A P + 0 0 120 0, 0.0 -26,-0.1 0, 0.0 -226,-0.1 0.399 56.3 124.7 -84.9 1.5 18.9 47.7 10.1 243 270 A A - 0 0 25 -228,-0.5 -2,-0.1 1,-0.1 -228,-0.1 -0.196 69.4 -98.7 -62.2 155.3 21.4 45.7 7.9 244 271 A S > - 0 0 53 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.200 33.0-109.5 -66.9 162.5 20.6 44.8 4.2 245 272 A M H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 118.7 56.9 -64.3 -36.0 19.3 41.3 3.5 246 273 A A H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 109.3 43.4 -61.1 -44.9 22.7 40.4 1.8 247 274 A E H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 114.2 50.4 -71.0 -36.4 24.7 41.3 4.9 248 275 A R H X S+ 0 0 24 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.944 114.1 46.1 -63.9 -42.2 22.2 39.4 7.1 249 276 A N H X S+ 0 0 60 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.901 112.5 50.1 -65.8 -40.3 22.5 36.4 4.7 250 277 A Q H X S+ 0 0 127 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.839 107.9 53.6 -70.1 -29.4 26.3 36.8 4.7 251 278 A Q H X S+ 0 0 25 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 110.4 46.4 -71.1 -40.4 26.3 36.8 8.6 252 279 A I H X S+ 0 0 20 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 111.6 50.6 -69.0 -37.4 24.3 33.5 8.8 253 280 A A H X S+ 0 0 60 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.858 107.9 56.0 -67.2 -31.4 26.6 31.9 6.1 254 281 A G H X S+ 0 0 19 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.894 108.0 45.2 -68.6 -40.0 29.6 33.1 8.3 255 282 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.934 112.9 51.9 -69.4 -40.8 28.3 31.3 11.4 256 283 A G H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.872 107.6 53.0 -61.4 -35.8 27.6 28.2 9.2 257 284 A A H X S+ 0 0 42 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 109.3 48.1 -69.2 -35.5 31.3 28.4 7.9 258 285 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.889 109.9 53.1 -71.2 -36.3 32.6 28.4 11.5 259 286 A L H < S+ 0 0 4 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.909 112.9 43.5 -63.9 -43.1 30.3 25.3 12.3 260 287 A I H >< S+ 0 0 43 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.873 114.3 50.4 -71.4 -37.9 31.7 23.4 9.3 261 288 A E H 3< S+ 0 0 105 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 123.6 29.8 -70.5 -34.3 35.3 24.4 10.1 262 289 A H T 3< S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.206 80.3 139.4-115.6 39.8 35.1 23.4 13.8 263 290 A W < + 0 0 13 -3,-0.9 2,-0.6 1,-0.1 -1,-0.1 0.927 50.2 77.4 -52.6 -52.6 32.5 20.6 13.4 264 291 A Q 0 0 171 -4,-0.2 -1,-0.1 -3,-0.2 -4,-0.0 -0.479 360.0 360.0 -67.7 112.2 34.0 18.1 15.8 265 292 A R 0 0 221 -2,-0.6 -233,-0.0 0, 0.0 -3,-0.0 -0.979 360.0 360.0-158.6 360.0 33.1 19.2 19.4