==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-05 1YLP . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-27; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,J.DELMAS,J.SIROT,B.SHOICHET,R.BONNET . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.9 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 . 41 15.6 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 31.6 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 0 0 0 2 1 3 2 0 0 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 1 0 1 1 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 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 25 A Q 0 0 230 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.1 31.6 35.2 21.3 2 26 A T - 0 0 80 1,-0.1 2,-0.1 4,-0.1 33,-0.0 0.376 360.0-156.0 -20.1 119.3 31.7 38.4 23.3 3 27 A S > - 0 0 52 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.372 40.9 -93.5 -86.1 169.7 34.8 39.1 25.5 4 28 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.841 128.5 55.6 -55.8 -34.9 34.7 41.4 28.6 5 29 A V H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 109.1 44.9 -64.0 -48.1 35.8 44.2 26.2 6 30 A Q H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.891 111.5 54.0 -64.4 -37.2 32.9 43.7 23.9 7 31 A Q H X S+ 0 0 111 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.909 108.4 49.2 -61.9 -42.5 30.5 43.4 26.8 8 32 A K H X S+ 0 0 94 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.896 111.3 49.4 -65.0 -39.3 31.7 46.8 28.1 9 33 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 109.8 51.5 -66.3 -39.1 31.2 48.3 24.7 10 34 A A H X S+ 0 0 35 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 110.7 48.4 -64.3 -37.6 27.7 46.8 24.4 11 35 A A H X S+ 0 0 63 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.8 50.3 -69.3 -39.8 26.8 48.3 27.8 12 36 A L H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.934 111.9 49.2 -58.3 -47.0 28.2 51.7 26.8 13 37 A E H X>S+ 0 0 16 -4,-2.6 4,-1.0 1,-0.2 5,-0.9 0.930 110.5 49.6 -58.1 -49.0 26.2 51.5 23.6 14 38 A K H ><5S+ 0 0 179 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.914 111.6 48.3 -58.2 -44.0 23.0 50.6 25.5 15 39 A S H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.8 54.3 -67.6 -30.8 23.4 53.4 28.0 16 40 A S H 3<5S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.664 100.4-132.9 -76.4 -20.9 24.0 55.9 25.2 17 41 A G T <<5S+ 0 0 49 -4,-1.0 -3,-0.1 -3,-0.7 2,-0.1 0.511 72.8 84.0 77.4 7.5 20.9 55.1 23.2 18 42 A G S >> -AB 232 31A 9 5,-2.5 4,-1.7 -2,-0.5 5,-0.9 -0.892 3.0-161.7 -98.0 109.6 47.2 45.9 17.6 27 51 A T T 345S+ 0 0 26 204,-1.9 205,-0.1 -2,-0.7 -1,-0.1 0.619 79.0 79.5 -77.0 -5.0 50.2 45.7 15.3 28 52 A A T 345S- 0 0 65 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.929 125.5 -2.5 -58.0 -43.8 52.3 43.9 17.9 29 53 A D T <45S- 0 0 98 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.247 98.1-113.9-132.7 9.4 50.5 40.7 17.0 30 54 A N T <5 + 0 0 94 -4,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.753 59.8 159.6 56.6 31.8 48.0 41.8 14.4 31 55 A T E < -B 26 0A 63 -5,-0.9 -5,-2.5 2,-0.0 2,-0.4 -0.598 26.7-150.8 -80.1 148.2 45.1 41.0 16.7 32 56 A Q E -B 25 0A 67 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.958 11.0-166.2-118.5 138.0 41.7 42.7 16.1 33 57 A V E -B 24 0A 41 -9,-2.0 -9,-2.6 -2,-0.4 2,-0.3 -0.999 20.7-175.8-120.6 124.5 39.0 43.6 18.6 34 59 A L E -B 23 0A 29 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.906 23.9-175.5-124.2 145.1 35.7 44.4 16.9 35 60 A Y E S-B 22 0A 32 -13,-2.5 -13,-2.6 -2,-0.3 -2,-0.0 -0.945 92.4 -17.4-135.7 117.7 32.3 45.6 18.0 36 61 A R S > S+ 0 0 90 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.877 90.9 163.8 48.8 42.1 29.7 45.8 15.2 37 62 A G T 3 + 0 0 7 1,-0.3 122,-2.6 121,-0.1 123,-0.4 0.678 65.1 41.9 -68.1 -21.5 32.9 45.7 13.1 38 63 A D T 3 S+ 0 0 101 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.196 90.0 104.3-112.9 14.1 31.2 44.8 9.8 39 64 A E S < S- 0 0 68 -3,-1.5 2,-0.3 1,-0.0 120,-0.1 -0.713 74.6-111.8 -88.4 149.3 28.2 47.1 10.0 40 65 A R - 0 0 94 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.600 35.5-179.3 -83.0 139.9 28.1 50.2 7.9 41 66 A F E -E 156 0B 1 115,-2.6 115,-1.9 -2,-0.3 2,-0.3 -0.967 36.6 -99.8-132.5 148.9 28.3 53.6 9.6 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.541 29.4-156.0 -69.7 129.8 28.2 57.1 8.1 43 68 A M > + 0 0 1 111,-2.5 3,-2.0 -2,-0.3 112,-0.1 0.818 20.6 173.7 -76.1 -34.4 31.8 58.4 7.8 44 69 A C G > S- 0 0 0 110,-0.5 3,-1.9 100,-0.5 -1,-0.2 -0.279 74.0 -9.5 46.0-134.8 31.2 62.1 7.8 45 70 A S G > S+ 0 0 5 167,-0.4 3,-2.0 1,-0.3 4,-0.3 0.584 119.2 82.1 -73.6 -5.2 34.5 63.9 8.0 46 71 A T G X S+ 0 0 0 -3,-2.0 3,-1.5 1,-0.3 4,-0.5 0.786 80.3 71.8 -63.0 -20.3 36.6 60.8 8.7 47 72 A S G <> S+ 0 0 0 -3,-1.9 4,-1.6 1,-0.3 3,-0.4 0.669 76.8 79.1 -65.3 -15.8 36.4 60.4 4.9 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.788 84.1 62.3 -63.5 -27.1 38.8 63.3 4.6 49 74 A V H <> S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.2 0.925 103.3 48.1 -62.6 -41.8 41.6 60.9 5.4 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.4 -2,-0.2 0.910 112.3 48.6 -68.0 -39.8 40.9 58.9 2.3 51 76 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.928 113.2 46.5 -64.7 -44.8 40.8 62.0 0.1 52 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.926 113.2 50.0 -64.0 -41.8 44.0 63.4 1.5 53 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.879 106.4 55.8 -62.4 -37.3 45.7 60.0 1.1 54 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.915 109.0 46.4 -63.6 -40.6 44.4 59.8 -2.5 55 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 109.9 54.0 -67.6 -40.7 46.1 63.1 -3.3 56 81 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.936 106.5 53.2 -56.5 -42.5 49.3 61.9 -1.6 57 82 A K H >< S+ 0 0 67 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.936 107.0 50.9 -59.4 -45.8 49.2 58.8 -3.8 58 83 A Q H >X S+ 0 0 64 -4,-2.0 4,-1.6 1,-0.3 3,-1.4 0.872 103.4 60.7 -57.4 -36.3 49.0 61.0 -6.9 59 84 A S H 3< S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.665 84.5 78.3 -71.3 -12.0 52.0 63.0 -5.6 60 85 A E T << S+ 0 0 46 -3,-1.4 -1,-0.3 -4,-0.7 3,-0.2 0.793 111.0 24.9 -64.4 -29.2 54.2 59.8 -5.7 61 86 A T T <4 S+ 0 0 125 -3,-1.4 2,-0.8 -4,-0.4 -2,-0.2 0.663 124.7 52.9-104.5 -23.8 54.5 60.3 -9.4 62 87 A Q S >< S- 0 0 103 -4,-1.6 3,-2.2 1,-0.2 4,-0.3 -0.801 72.5-171.6-112.3 83.5 53.9 64.1 -9.6 63 88 A K T 3 S+ 0 0 169 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.721 80.2 43.7 -54.1 -29.5 56.5 65.3 -7.1 64 89 A Q T > S+ 0 0 135 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.351 81.1 105.8 -99.9 9.2 55.3 68.9 -7.0 65 90 A L G X S+ 0 0 0 -3,-2.2 3,-1.9 1,-0.3 29,-0.5 0.865 73.7 57.9 -56.7 -40.4 51.6 68.2 -6.8 66 91 A L G 3 S+ 0 0 26 -4,-0.3 29,-2.7 -3,-0.3 30,-0.4 0.754 105.9 51.5 -64.4 -19.5 51.3 69.1 -3.1 67 92 A N G < S+ 0 0 94 -3,-1.6 -1,-0.3 27,-0.2 -2,-0.2 0.340 79.7 120.5 -98.2 6.9 52.7 72.6 -3.9 68 93 A Q < - 0 0 74 -3,-1.9 26,-1.1 -4,-0.2 2,-0.2 -0.598 63.2-131.0 -71.7 117.2 50.2 73.2 -6.7 69 94 A P E -F 93 0C 83 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.523 19.1-160.3 -71.7 139.0 48.1 76.3 -5.9 70 95 A V E -F 92 0C 30 22,-2.4 22,-2.2 -2,-0.2 2,-0.1 -0.970 21.0-117.0-117.3 129.3 44.3 76.0 -6.2 71 96 A E E -F 91 0C 135 -2,-0.4 2,-0.5 20,-0.2 20,-0.3 -0.419 20.8-156.5 -68.8 139.8 42.1 79.0 -6.6 72 97 A I E -F 90 0C 1 18,-2.2 17,-2.4 15,-0.4 18,-0.7 -0.986 15.3-179.2-115.9 119.9 39.5 79.8 -3.9 73 98 A K > - 0 0 104 -2,-0.5 3,-1.7 15,-0.2 4,-0.4 -0.724 43.3-104.5-112.2 164.0 36.5 81.9 -4.9 74 99 A H G > S+ 0 0 140 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.901 119.8 58.6 -52.6 -41.4 33.6 83.2 -2.8 75 100 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.576 92.9 67.4 -69.3 -12.2 31.4 80.6 -4.5 76 101 A D G < S+ 0 0 48 -3,-1.7 -1,-0.3 8,-0.1 -2,-0.2 0.644 77.4 104.5 -77.0 -19.4 33.6 77.7 -3.4 77 102 A L < + 0 0 51 -3,-1.6 2,-0.1 -4,-0.4 4,-0.1 -0.402 44.2 174.5 -76.7 141.3 32.6 78.1 0.3 78 103 A V - 0 0 45 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.068 53.3 -51.3-115.4-134.1 30.2 75.7 2.0 79 104 A N S S+ 0 0 101 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.626 122.4 27.4 -93.7 -13.4 29.1 75.4 5.6 80 105 A Y + 0 0 115 1,-0.0 27,-2.7 25,-0.0 28,-0.7 -0.824 61.7 152.5-154.7 100.3 32.3 75.3 7.6 81 106 A N > + 0 0 21 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.419 3.6 156.1-132.5 53.4 35.4 77.0 6.1 82 107 A P T 4 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.803 84.6 21.9 -61.1 -31.7 37.7 78.1 8.9 83 108 A I T >4 S+ 0 0 40 2,-0.1 3,-1.7 14,-0.1 4,-0.3 0.785 119.2 57.5-100.8 -43.1 40.8 78.2 6.8 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.852 96.0 65.6 -63.6 -29.4 39.5 78.5 3.2 85 110 A E G >< S+ 0 0 99 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.757 95.7 59.2 -64.2 -20.8 37.7 81.7 4.1 86 111 A K G < S+ 0 0 140 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.513 106.6 48.1 -81.8 -4.0 41.1 83.3 4.7 87 112 A H G X S+ 0 0 68 -3,-2.1 3,-2.1 -4,-0.3 -15,-0.4 0.164 72.3 141.4-125.0 14.9 42.1 82.6 1.1 88 113 A V T < S+ 0 0 36 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.445 81.3 14.4 -63.0 136.0 39.1 83.8 -0.9 89 114 A N T 3 S+ 0 0 102 -17,-2.4 -1,-0.3 1,-0.3 -16,-0.2 0.624 128.3 71.5 60.3 23.0 40.3 85.5 -4.1 90 115 A G E < S-F 72 0C 30 -3,-2.1 -18,-2.2 -18,-0.7 -1,-0.3 -0.379 83.1-101.6-129.5-148.8 43.6 83.8 -3.3 91 116 A T E -F 71 0C 62 -20,-0.3 2,-0.3 -2,-0.2 -20,-0.2 -0.944 12.0-156.5-141.2 161.7 44.9 80.2 -3.4 92 117 A M E -F 70 0C 1 -22,-2.2 -22,-2.4 -2,-0.3 2,-0.1 -0.987 25.1-128.8-134.7 139.7 45.7 77.2 -1.3 93 118 A T E > -F 69 0C 21 -2,-0.3 4,-3.0 -24,-0.3 5,-0.2 -0.345 31.5-105.1 -77.5 165.4 48.1 74.5 -2.4 94 119 A L H > S+ 0 0 1 -26,-1.1 4,-2.1 -29,-0.5 -27,-0.2 0.872 124.9 51.5 -62.5 -31.4 47.0 70.9 -2.2 95 120 A A H > S+ 0 0 22 -29,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.916 110.7 48.2 -65.2 -42.1 49.2 70.4 0.9 96 121 A E H > S+ 0 0 95 -30,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.894 112.6 48.7 -64.4 -39.2 47.5 73.5 2.5 97 122 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.905 111.3 50.0 -67.0 -39.9 44.1 72.1 1.5 98 123 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.924 111.4 48.3 -64.0 -45.6 45.0 68.7 3.0 99 124 A A H X S+ 0 0 20 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.909 113.5 47.4 -62.2 -41.4 46.2 70.2 6.2 100 125 A A H X S+ 0 0 4 -4,-2.2 6,-2.0 -5,-0.2 4,-1.6 0.930 113.7 47.4 -66.5 -42.9 43.0 72.3 6.5 101 126 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 4,-0.3 -2,-0.2 0.941 122.1 34.6 -62.2 -46.6 40.7 69.4 5.8 102 127 A L H < S+ 0 0 1 -4,-2.7 108,-0.2 -5,-0.2 -2,-0.2 0.892 125.8 35.6 -78.6 -39.7 42.5 67.1 8.2 103 128 A Q H < S+ 0 0 39 -4,-2.9 87,-2.3 -5,-0.3 88,-0.2 0.729 134.7 20.3 -95.3 -24.9 43.5 69.4 11.0 104 129 A Y H < S- 0 0 95 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.362 97.1-122.9-118.2 -5.1 40.6 71.9 11.1 105 130 A S < - 0 0 15 -4,-0.6 2,-0.3 -5,-0.5 -4,-0.3 0.865 41.6-176.5 59.0 38.9 37.9 69.7 9.3 106 131 A D > - 0 0 0 -6,-2.0 4,-1.4 1,-0.2 -25,-0.2 -0.495 16.9-159.9 -67.8 125.5 37.5 72.5 6.7 107 132 A N H > S+ 0 0 9 -27,-2.7 4,-1.9 -2,-0.3 34,-0.3 0.813 88.6 54.8 -83.8 -30.0 34.7 71.4 4.3 108 133 A T H > S+ 0 0 1 -28,-0.7 4,-2.0 2,-0.2 5,-0.2 0.926 107.4 52.7 -62.7 -43.2 35.7 73.7 1.4 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.928 107.6 51.4 -57.9 -44.6 39.2 72.2 1.5 110 135 A M H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.924 106.8 53.2 -58.1 -43.9 37.6 68.7 1.3 111 136 A N H X S+ 0 0 36 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.881 107.6 51.3 -65.0 -31.6 35.6 69.7 -1.8 112 137 A K H X S+ 0 0 42 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.866 109.8 50.1 -71.3 -34.7 38.8 70.9 -3.5 113 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.942 110.5 49.7 -63.6 -45.9 40.5 67.6 -2.7 114 139 A I H <>S+ 0 0 2 -4,-2.9 5,-2.7 1,-0.2 3,-0.4 0.929 110.3 50.7 -57.3 -44.3 37.5 65.8 -4.1 115 140 A A H ><5S+ 0 0 68 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.897 105.5 55.9 -61.7 -40.7 37.7 67.9 -7.3 116 141 A Q H 3<5S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.9 48.5 -58.3 -33.3 41.4 67.2 -7.7 117 142 A L T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.369 123.6-104.3 -89.6 1.7 40.5 63.5 -7.7 118 143 A G T < 5S- 0 0 71 -3,-1.7 -3,-0.2 -4,-0.2 3,-0.2 0.601 76.2 -44.8 87.0 14.7 37.7 63.9 -10.3 119 144 A G S >>> S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.858 131.0 63.3 -54.9 -34.7 33.6 61.4 -5.0 121 146 A G H 3> S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.783 95.8 57.8 -59.7 -29.1 34.1 58.5 -7.3 122 147 A G H <> S+ 0 0 21 -3,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.829 105.1 50.6 -72.0 -29.5 37.8 59.2 -7.6 123 148 A V H <>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 3,-0.5 0.937 110.6 46.6 -56.2 -46.7 40.2 53.1 -1.8 128 153 A R H ><5S+ 0 0 91 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.884 107.3 58.4 -64.8 -35.7 39.6 50.2 -4.1 129 154 A A H 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 108.3 45.5 -65.9 -26.8 43.2 50.6 -5.5 130 155 A I T <<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.357 128.0 -95.4 -98.9 9.2 44.6 50.1 -2.0 131 156 A G T < 5S+ 0 0 48 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.2 0.595 78.3 138.1 95.6 9.2 42.4 47.2 -1.2 132 157 A D < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.826 21.2 173.5 -90.4 110.1 39.6 48.9 0.7 133 158 A E S S+ 0 0 122 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.366 70.2 49.4 -94.9 -1.4 36.5 47.1 -0.7 134 159 A T S S+ 0 0 35 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.776 78.9 98.5-115.2 -44.3 34.0 48.7 1.6 135 160 A F + 0 0 0 22,-0.1 2,-0.3 21,-0.1 21,-0.2 -0.235 45.7 179.8 -47.1 134.8 34.5 52.5 1.6 136 161 A R - 0 0 76 19,-1.7 2,-0.5 16,-0.1 19,-0.4 -0.972 15.3-169.1-142.6 131.9 32.2 54.5 -0.6 137 162 A L + 0 0 4 -2,-0.3 -13,-0.3 -17,-0.3 -14,-0.1 -0.986 18.2 159.5-113.3 124.2 32.1 58.2 -1.1 138 163 A D + 0 0 60 -2,-0.5 2,-0.3 1,-0.1 -17,-0.2 0.590 56.0 37.1-114.7 -27.8 29.0 59.4 -3.0 139 164 A R - 0 0 34 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.801 66.4-125.6-132.8 165.5 28.6 63.0 -2.2 140 165 A T > - 0 0 60 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.346 56.8 -31.7 -94.8-179.4 30.5 66.2 -1.6 141 166 A E T 4 S+ 0 0 4 1,-0.3 -1,-0.1 -34,-0.3 0, 0.0 -0.671 118.7 10.6 -78.7 140.1 30.4 68.6 1.3 142 167 A P T >4 S+ 0 0 56 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.996 122.2 55.8 -92.9 -0.8 28.1 69.3 3.1 143 168 A T G >4 S+ 0 0 67 1,-0.3 3,-1.6 2,-0.1 -2,-0.2 0.751 89.6 74.8 -73.6 -18.4 25.6 66.7 2.0 144 169 A L G 3< S+ 0 0 3 -4,-2.1 -100,-0.5 1,-0.3 3,-0.4 0.663 89.8 63.8 -63.8 -10.1 27.8 63.7 2.7 145 170 A N G < + 0 0 20 -3,-1.8 69,-2.7 -5,-0.2 -1,-0.3 0.272 65.2 105.2 -96.9 13.2 27.2 64.3 6.4 146 171 A T < - 0 0 48 -3,-1.6 -1,-0.2 67,-0.2 -2,-0.1 0.874 58.0-166.3 -64.0 -37.3 23.4 63.6 6.4 147 172 A A - 0 0 7 -3,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.829 12.7-172.9 58.7 40.9 23.9 60.2 8.1 148 173 A I > - 0 0 67 1,-0.1 3,-2.4 5,-0.1 -1,-0.2 -0.445 33.5 -95.9 -70.4 133.7 20.4 59.0 7.3 149 174 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 -0.242 107.1 4.2 -47.5 126.1 19.4 55.7 8.9 150 175 A G T 3 S+ 0 0 84 1,-0.2 -2,-0.1 -110,-0.1 3,-0.0 0.377 91.1 135.2 78.7 -3.7 19.9 52.9 6.4 151 176 A D < - 0 0 32 -3,-2.4 -1,-0.2 1,-0.2 -4,-0.0 -0.681 41.3-161.1 -80.9 124.4 21.5 55.1 3.7 152 177 A P > + 0 0 59 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.619 55.9 112.8 -75.5 -11.9 24.6 53.3 2.2 153 178 A R T 3 S+ 0 0 93 1,-0.2 -6,-0.1 -5,-0.1 3,-0.1 -0.309 84.4 4.8 -64.1 141.0 26.0 56.5 0.8 154 179 A D T 3 S+ 0 0 2 1,-0.2 -111,-2.5 -112,-0.1 -110,-0.5 0.882 103.5 129.9 59.0 43.5 29.2 57.8 2.3 155 180 A T E < +E 42 0B 4 -3,-0.8 -19,-1.7 -19,-0.4 2,-0.3 -0.815 29.9 168.4-124.1 161.7 29.6 54.8 4.6 156 181 A T E -E 41 0B 0 -115,-1.9 -115,-2.6 -2,-0.3 -21,-0.1 -0.909 33.8-105.1-150.5-177.0 32.2 52.3 5.6 157 182 A T > - 0 0 10 -2,-0.3 4,-2.4 -117,-0.2 5,-0.3 -0.819 26.6-118.2-110.0 155.3 32.6 49.6 8.3 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.923 114.2 50.3 -57.0 -43.5 34.9 49.9 11.4 159 184 A R H > S+ 0 0 81 -122,-2.6 4,-2.4 1,-0.2 5,-0.2 0.933 111.8 47.3 -61.3 -44.6 36.9 46.9 10.4 160 185 A A H > S+ 0 0 5 -123,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.915 113.6 46.9 -65.7 -40.7 37.5 48.2 6.9 161 186 A M H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.888 111.6 50.6 -72.7 -34.6 38.5 51.7 8.0 162 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.936 111.6 48.4 -65.7 -43.7 40.8 50.4 10.7 163 188 A Q H X S+ 0 0 88 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.946 114.2 46.4 -60.0 -46.4 42.6 48.1 8.1 164 189 A T H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.924 111.1 50.8 -62.0 -44.7 42.9 51.0 5.7 165 190 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.4 0.907 110.6 50.7 -64.6 -37.7 44.1 53.4 8.3 166 191 A R H X>S+ 0 0 68 -4,-2.5 4,-2.6 -5,-0.2 5,-2.2 0.953 111.3 47.4 -58.9 -48.9 46.7 50.9 9.3 167 192 A Q H <5S+ 0 0 98 -4,-2.5 6,-2.0 3,-0.2 7,-0.5 0.871 115.8 45.7 -61.9 -35.6 47.9 50.4 5.7 168 193 A L H <5S+ 0 0 2 -4,-2.4 -1,-0.2 5,-0.2 -2,-0.2 0.846 125.9 25.5 -75.6 -36.7 48.1 54.2 5.1 169 194 A T H <5S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.725 139.1 16.5-106.4 -26.8 49.9 55.2 8.3 170 195 A L T <5S+ 0 0 35 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.598 121.3 51.9-121.0 -26.9 51.9 52.2 9.4 171 196 A G S - 0 0 23 -2,-0.3 4,-2.9 -119,-0.1 5,-0.2 -0.253 45.8-102.1 -64.5 162.3 55.3 55.8 -0.3 176 201 A E H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 121.6 48.1 -63.2 -41.5 57.5 56.4 2.7 177 202 A T H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 114.8 46.6 -60.0 -42.7 57.5 60.2 2.3 178 203 A Q H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 108.7 53.4 -72.6 -40.4 53.8 60.3 1.8 179 204 A R H X S+ 0 0 58 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.932 109.8 49.8 -56.1 -47.8 53.0 58.0 4.8 180 205 A A H X S+ 0 0 52 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.893 109.4 51.5 -60.7 -40.5 55.1 60.3 7.0 181 206 A Q H X S+ 0 0 63 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.914 109.2 49.7 -64.4 -43.0 53.3 63.4 5.7 182 207 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.930 110.9 50.1 -60.2 -43.8 49.9 61.8 6.5 183 208 A V H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.939 109.2 52.0 -60.7 -45.3 51.1 61.0 10.0 184 209 A T H X S+ 0 0 81 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.941 111.4 46.9 -54.8 -48.0 52.3 64.5 10.5 185 210 A W H >< S+ 0 0 15 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.961 113.4 47.2 -61.8 -49.1 48.9 65.9 9.4 186 211 A L H >< S+ 0 0 2 -4,-2.7 22,-1.6 1,-0.2 3,-1.6 0.881 108.0 56.2 -60.6 -40.0 46.9 63.5 11.6 187 212 A K H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 20,-0.3 -2,-0.2 0.827 105.6 52.9 -61.3 -31.7 49.2 64.2 14.7 188 213 A G T << S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.289 77.1 141.4 -89.5 9.6 48.5 67.9 14.4 189 214 A N < - 0 0 23 -3,-1.6 -86,-0.2 19,-0.2 -85,-0.1 -0.246 35.3-165.0 -53.9 139.7 44.7 67.6 14.4 190 215 A T S S+ 0 0 83 -87,-2.3 3,-0.3 1,-0.1 -1,-0.1 0.474 77.2 61.8-101.1 -8.3 43.0 70.3 16.4 191 216 A T S S+ 0 0 36 -88,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.369 84.1 75.2-104.6 1.0 39.5 68.7 16.7 192 217 A G > > + 0 0 4 1,-0.2 3,-1.6 -3,-0.1 5,-0.6 0.323 52.8 106.4-101.9 5.3 40.1 65.5 18.6 193 218 A A T 3 5S+ 0 0 71 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.746 88.2 40.5 -64.9 -24.8 40.7 66.5 22.3 194 219 A A T 3 5S+ 0 0 34 -3,-0.3 59,-0.4 3,-0.1 -1,-0.3 0.378 112.2 60.1 -99.9 -0.1 37.4 65.2 23.5 195 220 A S T X>5S- 0 0 1 -3,-1.6 3,-0.9 57,-0.1 4,-0.6 0.387 119.8 -22.8-104.0-128.6 37.2 62.0 21.4 196 221 A I G >45S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.905 132.7 60.1 -54.3 -43.4 39.6 59.0 21.4 197 222 A R G >4 - 0 0 58 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.215 35.0-128.9 -55.8 142.3 47.0 58.0 28.4 202 227 A T T 3 S+ 0 0 139 1,-0.3 -3,-0.0 -4,-0.1 -2,-0.0 0.824 104.6 65.5 -61.5 -31.0 48.4 61.4 27.8 203 228 A S T 3 S+ 0 0 59 2,-0.1 -1,-0.3 24,-0.0 2,-0.2 0.679 84.6 94.3 -70.9 -14.1 51.9 60.0 27.3 204 229 A W S < S- 0 0 38 -3,-1.4 2,-0.4 -7,-0.1 -4,-0.1 -0.529 76.7-126.9 -81.6 141.4 50.7 58.2 24.1 205 230 A T E -C 225 0A 65 20,-2.0 20,-3.1 -2,-0.2 2,-0.4 -0.726 32.2-172.5 -85.2 134.3 51.2 59.9 20.7 206 231 A V E -C 224 0A 13 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.991 20.2-172.0-134.1 128.7 47.9 60.0 18.7 207 232 A G E +C 223 0A 0 16,-2.8 16,-2.8 -2,-0.4 2,-0.3 -0.988 29.5 159.5-111.8 133.3 47.0 61.0 15.2 208 233 A D E -C 222 0A 8 -22,-1.6 2,-0.4 -2,-0.4 14,-0.2 -0.976 35.7-149.1-149.7 161.6 43.3 61.2 14.5 209 234 A K E -C 221 0A 0 12,-2.2 12,-1.8 -2,-0.3 2,-0.1 -0.981 21.5-155.7-133.3 123.0 40.5 62.5 12.4 210 235 A T E -C 220 0A 16 -2,-0.4 2,-0.3 -108,-0.2 10,-0.3 -0.395 6.2-164.4 -83.3 166.0 37.1 63.2 13.8 211 236 A G E -C 219 0A 5 8,-2.1 8,-2.8 -166,-0.2 2,-0.3 -0.986 7.3-179.6-148.3 154.1 33.7 63.3 12.2 212 237 A S E +C 218 0A 77 -2,-0.3 -167,-0.4 6,-0.2 2,-0.3 -0.980 15.6 138.9-150.9 151.5 30.3 64.7 13.0 213 238 A G E > -C 217 0A 26 4,-1.6 4,-0.6 -2,-0.3 3,-0.5 -0.891 49.2 -34.3-167.7-168.7 26.9 64.7 11.2 214 240 A G T >4 S+ 0 0 25 -69,-2.7 3,-1.6 -2,-0.3 26,-0.2 -0.087 111.5 40.9 -63.0 170.1 23.2 64.3 11.3 215 241 A Y T 34 S- 0 0 28 28,-1.9 25,-2.4 1,-0.3 -1,-0.2 0.806 132.8 -72.1 54.6 32.2 21.6 61.8 13.7 216 242 A G T 34 S- 0 0 3 27,-0.6 32,-0.3 29,-0.6 -1,-0.3 0.792 77.0-178.6 60.2 27.5 24.1 62.8 16.3 217 243 A T E << +C 213 0A 2 -3,-1.6 -4,-1.6 -4,-0.6 2,-0.4 -0.459 5.6 177.8 -66.9 128.1 26.8 61.0 14.4 218 244 A T E +CD 212 238A 4 20,-2.5 20,-0.6 -6,-0.2 2,-0.3 -0.974 7.2 168.7-139.1 113.0 30.1 61.3 16.3 219 245 A N E +CD 211 237A 1 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.3 -0.875 15.4 178.5-131.0 157.2 33.2 59.5 14.9 220 246 A D E -CD 210 236A 0 16,-2.3 16,-2.8 -2,-0.3 2,-0.4 -0.944 6.7-168.5-157.5 138.3 37.0 59.3 15.3 221 247 A I E -CD 209 235A 2 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.3 -0.996 20.6-178.8-127.6 137.1 39.7 57.3 13.7 222 248 A A E -CD 208 234A 0 12,-2.7 12,-2.5 -2,-0.4 2,-0.4 -0.986 31.3-150.8-143.3 144.1 43.2 57.2 15.2 223 249 A V E -CD 207 233A 0 -16,-2.8 -16,-2.8 -2,-0.3 2,-0.4 -0.940 33.0-164.0-106.0 134.1 46.7 55.9 14.8 224 250 A I E -CD 206 232A 2 8,-3.0 8,-2.8 -2,-0.4 -18,-0.2 -0.982 22.8-164.2-132.2 132.6 48.3 55.5 18.3 225 251 A W E -C 205 0A 68 -20,-3.1 -20,-2.0 -2,-0.4 5,-0.1 -0.887 19.7-161.2-114.0 95.6 51.8 55.0 19.5 226 252 A P > - 0 0 9 0, 0.0 3,-1.0 0, 0.0 2,-0.4 -0.348 33.7 -92.4 -68.5 157.0 51.7 53.8 23.1 227 254 A Q T 3 S+ 0 0 135 1,-0.2 -23,-0.1 -2,-0.0 3,-0.1 -0.606 104.9 1.3 -71.2 126.8 54.8 54.2 25.2 228 255 A G T 3 S+ 0 0 89 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.596 117.8 71.3 71.1 18.3 57.0 51.1 25.1 229 256 A R S < S- 0 0 86 -3,-1.0 -1,-0.2 1,-0.0 0, 0.0 -0.971 87.7 -70.3-152.5 176.4 55.0 49.0 22.7 230 257 A A - 0 0 30 -2,-0.3 -202,-0.2 1,-0.1 -203,-0.1 -0.203 60.0 -94.1 -66.3 151.9 54.0 48.6 19.1 231 258 A P - 0 0 30 0, 0.0 -204,-1.9 0, 0.0 2,-0.3 -0.149 37.2-153.3 -67.3 163.6 51.5 51.1 17.5 232 259 A L E -AD 26 224A 3 -8,-2.8 -8,-3.0 -206,-0.2 2,-0.4 -0.886 9.1-143.4-128.6 155.4 47.7 50.6 17.3 233 260 A V E -AD 25 223A 0 -208,-2.2 -208,-2.5 -2,-0.3 2,-0.4 -0.991 20.0-173.4-120.4 139.0 44.9 51.7 15.1 234 261 A L E -AD 24 222A 1 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.4 -0.995 7.8-170.7-136.4 130.2 41.5 52.5 16.6 235 262 A V E -AD 23 221A 0 -212,-2.6 -212,-1.9 -2,-0.4 2,-0.4 -0.959 3.9-179.2-117.0 130.7 38.2 53.3 15.0 236 263 A T E +AD 22 220A 0 -16,-2.8 -16,-2.3 -2,-0.4 2,-0.4 -0.944 3.4 178.0-136.0 113.1 35.1 54.5 16.9 237 264 A Y E +AD 21 219A 0 -216,-2.9 -216,-3.0 -2,-0.4 2,-0.4 -0.932 4.3 176.6-112.3 134.4 31.9 55.2 14.9 238 265 A F E +AD 20 218A 0 -20,-0.6 -20,-2.5 -2,-0.4 2,-0.3 -0.994 4.6 166.4-144.0 134.7 28.7 56.3 16.7 239 266 A T E -A 19 0A 12 -220,-2.1 -220,-2.8 -2,-0.4 -23,-0.2 -0.960 19.3-140.0-147.7 162.2 25.3 57.3 15.4 240 267 A Q - 0 0 19 -25,-2.4 -222,-0.2 -2,-0.3 -23,-0.1 -0.769 22.0-114.6-128.3 160.9 21.8 57.8 17.0 241 268 A P S S+ 0 0 76 0, 0.0 2,-0.4 0, 0.0 -25,-0.1 0.722 91.3 63.5 -70.6 -23.7 18.2 57.1 16.1 242 269 A Q S > S- 0 0 140 -27,-0.1 3,-1.9 1,-0.1 -2,-0.2 -0.857 78.2-127.9-115.3 144.1 16.9 60.7 15.9 243 270 A Q T 3 S+ 0 0 108 -2,-0.4 -28,-1.9 1,-0.3 -27,-0.6 0.829 105.3 42.0 -58.8 -40.3 17.9 63.4 13.3 244 271 A N T 3 S+ 0 0 153 -29,-0.2 -1,-0.3 -30,-0.1 -30,-0.0 0.161 79.6 145.4-102.5 25.1 18.7 66.2 15.8 245 272 A A < - 0 0 23 -3,-1.9 -29,-0.6 1,-0.1 2,-0.2 -0.244 50.9-112.1 -55.4 146.0 20.5 64.1 18.4 246 273 A E - 0 0 119 1,-0.1 -1,-0.1 -31,-0.1 -2,-0.0 -0.480 36.9 -88.3 -85.4 154.3 23.3 65.9 20.1 247 274 A S - 0 0 74 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.191 31.9-162.9 -58.3 150.2 27.0 65.0 19.7 248 275 A R >> + 0 0 65 -32,-0.3 3,-1.3 1,-0.1 4,-1.0 -0.463 29.1 151.4-136.8 63.6 28.5 62.4 22.0 249 276 A R H 3> S+ 0 0 120 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.865 73.2 67.3 -63.4 -30.0 32.3 62.7 21.9 250 277 A D H 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.798 93.0 59.4 -56.8 -31.7 32.3 61.3 25.4 251 278 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.901 105.4 48.1 -65.3 -39.4 31.1 58.0 24.1 252 279 A L H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.5 -2,-0.2 0.907 110.7 50.9 -68.2 -41.0 34.1 57.7 21.9 253 280 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 -59,-0.4 -1,-0.2 0.910 111.0 48.9 -59.9 -44.3 36.4 58.6 24.8 254 281 A S H X S+ 0 0 35 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.902 109.5 52.2 -64.3 -40.4 34.7 55.9 26.9 255 282 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 110.0 48.9 -60.4 -44.4 35.1 53.4 24.1 256 283 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 109.0 52.7 -62.7 -41.1 38.8 54.2 23.9 257 284 A R H X S+ 0 0 125 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.888 110.3 48.4 -60.9 -40.5 39.2 53.8 27.6 258 285 A I H >X S+ 0 0 24 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.936 112.8 47.2 -65.1 -47.1 37.6 50.4 27.5 259 286 A I H >< S+ 0 0 6 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.870 105.5 59.7 -62.2 -36.9 39.8 49.2 24.6 260 287 A A H >< S+ 0 0 23 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.817 97.5 60.7 -66.6 -28.4 43.0 50.5 26.3 261 288 A E H << S+ 0 0 133 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.815 102.1 51.2 -62.0 -34.7 42.4 48.2 29.3 262 289 A G T << 0 0 54 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.387 360.0 360.0 -92.0 3.3 42.6 45.0 27.3 263 290 A L < 0 0 68 -3,-1.0 -3,-0.0 -4,-0.3 -237,-0.0 -0.282 360.0 360.0 -67.1 360.0 45.8 45.8 25.5