==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-09 3GXN . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.LIEBERMAN . 780 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 61 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 4 5 0 4 1 0 1 3 2 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 2 2 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 . 8 0 0 2 2 6 2 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 . 2 0 0 0 0 2 0 2 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 32 A L 0 0 28 0, 0.0 2,-1.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 115.9 35.7 -12.8 -17.7 2 33 A D + 0 0 145 188,-0.4 228,-0.1 1,-0.2 188,-0.1 -0.307 360.0 120.3 -80.2 50.4 37.8 -11.0 -20.3 3 34 A N S S- 0 0 39 -2,-1.4 -1,-0.2 2,-0.2 3,-0.1 0.279 87.4-113.0 -87.6 10.6 38.7 -7.8 -18.3 4 35 A G S S+ 0 0 49 1,-0.3 3,-0.3 -3,-0.2 2,-0.2 0.629 82.6 116.2 65.3 16.6 42.4 -8.8 -18.7 5 36 A L + 0 0 31 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 -0.626 54.5 32.1-113.8 172.1 42.5 -9.3 -14.9 6 37 A A + 0 0 15 -2,-0.2 223,-1.9 1,-0.1 224,-0.2 0.781 61.7 160.7 48.7 35.5 43.0 -12.4 -12.7 7 38 A R S S+ 0 0 116 -3,-0.3 -1,-0.1 221,-0.3 223,-0.1 0.750 76.2 28.3 -58.8 -23.3 45.3 -13.8 -15.3 8 39 A T S S- 0 0 49 220,-0.1 282,-0.1 221,-0.1 3,-0.1 -0.952 119.5 -75.2-126.7 159.0 46.5 -15.9 -12.3 9 40 A P - 0 0 1 0, 0.0 254,-0.2 0, 0.0 252,-0.1 -0.275 61.3-106.7 -59.3 123.6 44.3 -16.8 -9.3 10 41 A T - 0 0 9 252,-0.1 253,-2.9 -4,-0.1 2,-0.4 -0.143 33.4-158.3 -52.1 132.9 44.0 -13.6 -7.1 11 42 A M E +a 263 0A 12 43,-0.3 45,-2.3 251,-0.2 46,-1.6 -0.949 36.0 98.9-112.4 139.6 45.9 -13.6 -3.9 12 43 A G E -ab 264 57A 0 251,-2.8 253,-2.3 -2,-0.4 2,-0.4 -0.852 62.8 -72.2-173.3-143.2 45.1 -11.3 -0.9 13 44 A W E -ab 265 58A 0 44,-3.6 46,-3.5 251,-0.3 2,-0.4 -0.999 30.5-172.5-145.0 141.0 43.4 -11.1 2.5 14 45 A L E - b 0 59A 11 251,-2.8 4,-0.3 -2,-0.4 3,-0.2 -1.000 18.2-145.2-139.3 129.6 39.7 -11.1 3.3 15 46 A H S >>S+ 0 0 0 44,-1.4 4,-3.1 -2,-0.4 5,-0.5 0.755 70.7 93.5 -70.3 -25.4 38.3 -10.4 6.8 16 47 A W H >5S+ 0 0 50 1,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.768 82.4 38.9 -46.8 -63.0 35.2 -12.7 6.8 17 48 A E H 45S+ 0 0 0 -3,-0.2 703,-1.2 1,-0.2 -1,-0.2 0.892 127.1 34.6 -62.9 -42.2 36.1 -16.1 8.3 18 49 A R H 45S+ 0 0 18 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.853 132.7 26.8 -81.1 -33.2 38.3 -14.8 11.0 19 50 A F H ><5S+ 0 0 6 -4,-3.1 3,-1.2 701,-0.1 -3,-0.2 0.541 81.8 176.0-111.7 -11.3 36.6 -11.5 11.8 20 51 A M T 3<< - 0 0 51 -4,-3.3 2,-0.3 -5,-0.5 -1,-0.1 0.086 59.5 -32.2 47.0-145.6 33.0 -12.2 10.8 21 52 A a T 3 S+ 0 0 48 11,-0.0 2,-0.6 43,-0.0 -1,-0.2 -0.304 75.3 165.2-108.7 50.9 30.3 -9.5 11.5 22 53 A N < + 0 0 32 -3,-1.2 11,-2.5 -2,-0.3 -2,-0.0 -0.519 11.6 162.2 -78.7 113.8 31.6 -7.9 14.6 23 54 A L + 0 0 83 -2,-0.6 2,-0.9 9,-0.2 -1,-0.1 0.323 43.8 103.0-109.6 6.1 30.0 -4.6 15.3 24 55 A D > + 0 0 53 1,-0.1 4,-0.6 4,-0.1 8,-0.3 -0.808 26.4 154.5 -94.9 99.2 31.0 -4.2 19.0 25 56 A b T 4 + 0 0 42 -2,-0.9 -1,-0.1 2,-0.1 -3,-0.0 0.271 66.2 73.6-108.2 9.3 33.9 -1.7 19.4 26 57 A Q T 4 S+ 0 0 167 2,-0.1 -2,-0.1 -3,-0.1 -1,-0.0 0.921 116.5 12.5 -64.3 -81.1 32.9 -1.0 22.9 27 58 A E T 4 S+ 0 0 126 1,-0.3 -2,-0.1 2,-0.1 3,-0.1 0.768 141.6 34.0 -79.9 -25.6 34.1 -4.1 24.5 28 59 A E >X + 0 0 45 -4,-0.6 4,-1.6 1,-0.1 3,-0.9 -0.404 57.2 161.6-128.6 67.3 36.2 -5.5 21.6 29 60 A P T 34 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.577 73.6 64.4 -56.9 -7.1 37.8 -2.6 19.7 30 61 A D T 34 S+ 0 0 104 1,-0.1 4,-0.1 -3,-0.1 -5,-0.1 0.835 108.8 28.1 -90.2 -39.0 40.2 -5.2 18.2 31 62 A S T <4 S+ 0 0 30 -3,-0.9 -9,-0.2 -7,-0.2 -1,-0.1 0.607 92.0 125.0 -93.8 -16.3 38.1 -7.6 16.1 32 63 A b S < S- 0 0 0 -4,-1.6 2,-0.9 -8,-0.3 -9,-0.2 -0.082 73.9-113.8 -43.2 133.1 35.6 -4.8 15.4 33 64 A I + 0 0 0 -11,-2.5 2,-0.3 -14,-0.1 -1,-0.1 -0.705 69.2 128.2 -71.3 106.8 35.0 -4.3 11.7 34 65 A S S >> S- 0 0 2 -2,-0.9 4,-1.2 1,-0.1 3,-1.1 -0.955 75.6 -98.0-154.3 160.8 36.5 -0.8 11.3 35 66 A E H >> S+ 0 0 20 46,-2.4 4,-2.6 -2,-0.3 3,-0.9 0.960 118.1 65.5 -53.4 -48.0 39.0 1.1 9.3 36 67 A K H 3> S+ 0 0 133 45,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.781 100.6 53.2 -47.8 -29.1 41.6 0.7 12.0 37 68 A L H <> S+ 0 0 4 -3,-1.1 4,-2.4 2,-0.2 -1,-0.3 0.907 115.1 36.9 -73.5 -42.1 41.5 -3.1 11.3 38 69 A F H S+ 0 0 0 -4,-2.5 5,-1.8 -3,-0.3 6,-1.8 0.896 110.4 43.9 -51.3 -43.2 50.9 -6.9 4.6 46 77 A V H ><5S+ 0 0 49 -4,-1.7 3,-1.8 3,-0.2 6,-0.3 0.983 112.7 49.9 -60.3 -61.6 53.8 -4.6 3.7 47 78 A S H 3<5S+ 0 0 68 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.826 116.2 39.4 -49.3 -48.0 56.0 -5.2 6.9 48 79 A E T 3<5S- 0 0 86 -4,-2.6 -1,-0.3 221,-0.0 -2,-0.1 0.023 112.8-113.5-100.0 25.4 56.0 -9.0 6.9 49 80 A G T <>5S+ 0 0 10 -3,-1.8 4,-1.0 1,-0.1 -3,-0.2 0.777 71.9 136.9 46.5 40.3 56.3 -9.3 3.1 50 81 A W H >XS+ 0 0 1 -5,-1.8 5,-2.3 -6,-0.3 4,-0.9 0.866 83.8 47.0 -63.3 -47.2 52.9 -10.8 2.4 51 82 A K H >45S+ 0 0 74 -6,-1.8 3,-2.0 1,-0.2 -5,-0.1 0.977 109.2 53.1 -61.3 -53.9 52.9 -8.3 -0.5 52 83 A D H 345S+ 0 0 139 -7,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.5 49.1 -43.0 -40.1 56.5 -9.5 -1.4 53 84 A A H 3<5S- 0 0 11 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.600 130.6 -91.5 -88.2 -9.7 55.1 -13.0 -1.4 54 85 A G T <<5S+ 0 0 30 -3,-2.0 2,-0.8 -4,-0.9 -43,-0.3 0.459 80.3 129.4 124.9 -0.1 52.2 -12.1 -3.7 55 86 A Y < + 0 0 0 -5,-2.3 -1,-0.3 1,-0.2 -43,-0.3 -0.804 20.5 154.6 -89.9 111.0 49.1 -11.2 -1.6 56 87 A E + 0 0 51 -45,-2.3 43,-2.4 -2,-0.8 2,-0.8 0.644 40.9 84.2-111.8 -26.7 48.0 -7.9 -3.1 57 88 A Y E -bc 12 99A 29 -46,-1.6 -44,-3.6 41,-0.2 2,-0.9 -0.753 51.1-167.1-100.6 103.7 44.3 -7.6 -2.3 58 89 A L E -bc 13 100A 0 41,-3.1 43,-2.9 -2,-0.8 2,-0.5 -0.779 25.8-164.2 -83.8 111.4 43.1 -6.2 1.0 59 90 A C E -bc 14 101A 5 -46,-3.5 -44,-1.4 -2,-0.9 2,-0.4 -0.906 19.6-154.8-111.7 129.9 39.5 -7.2 1.0 60 91 A I - 0 0 2 41,-1.8 77,-0.2 -2,-0.5 2,-0.1 -0.805 19.2-167.2 -87.0 134.4 36.6 -6.0 3.1 61 92 A D - 0 0 4 -2,-0.4 42,-0.4 1,-0.3 3,-0.3 -0.115 42.5 -28.3-102.7-154.2 33.7 -8.5 3.4 62 93 A D S S+ 0 0 2 1,-0.2 -1,-0.3 40,-0.1 42,-0.1 -0.039 111.8 43.8 -59.3 160.7 30.1 -8.0 4.7 63 94 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 40,-0.1 -30,-0.1 0.737 72.3 110.7 77.9 28.6 29.1 -5.4 7.4 64 95 A W + 0 0 0 -3,-0.3 14,-2.5 39,-0.2 2,-0.2 0.592 61.1 84.9 -96.1 -16.0 31.1 -2.3 6.2 65 96 A M B S-I 77 0B 2 12,-0.3 12,-0.3 1,-0.1 13,-0.1 -0.514 81.6-105.8 -99.6 156.5 28.0 -0.3 5.2 66 97 A A - 0 0 5 10,-2.8 10,-0.2 -2,-0.2 -1,-0.1 -0.461 46.5 -93.6 -73.6 150.8 25.7 1.9 7.1 67 98 A P S S- 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.698 101.6 -4.2 -31.8 -45.1 22.1 0.7 7.9 68 99 A Q S S- 0 0 135 46,-0.1 -2,-0.2 47,-0.1 8,-0.1 -0.894 84.9 -73.5-144.8-177.1 20.7 2.3 4.7 69 100 A R - 0 0 38 -2,-0.3 6,-0.2 1,-0.1 -1,-0.0 -0.242 43.6-118.1 -73.5 161.7 21.4 4.4 1.6 70 101 A D > - 0 0 46 4,-2.7 3,-0.6 1,-0.0 -1,-0.1 -0.051 42.2 -75.4 -85.4-168.6 22.0 8.2 1.5 71 102 A S T 3 S+ 0 0 127 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.722 128.4 48.4 -58.7 -38.0 20.1 11.0 -0.2 72 103 A E T 3 S- 0 0 131 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.569 120.7-104.2 -85.2 -9.4 21.4 10.3 -3.7 73 104 A G S < S+ 0 0 14 -3,-0.6 2,-0.1 1,-0.3 -2,-0.1 0.498 79.2 130.6 99.0 6.1 20.5 6.6 -3.4 74 105 A R - 0 0 80 1,-0.1 -4,-2.7 49,-0.1 -1,-0.3 -0.470 58.6-110.2 -88.2 159.1 24.1 5.5 -2.9 75 106 A L - 0 0 3 -6,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.313 32.2-165.3 -68.2 165.9 25.6 3.2 -0.3 76 107 A Q - 0 0 67 -10,-0.2 -10,-2.8 -8,-0.1 2,-0.0 -0.972 25.2-105.2-150.6 150.1 27.9 4.6 2.4 77 108 A A B -I 65 0B 13 -2,-0.3 -12,-0.3 -12,-0.3 -13,-0.1 -0.338 59.1 -80.7 -59.8 153.5 30.3 3.1 4.9 78 109 A D > - 0 0 11 -14,-2.5 4,-2.5 1,-0.1 7,-0.2 -0.444 42.5-135.4 -57.4 129.6 29.1 3.0 8.5 79 110 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.927 98.3 40.0 -62.0 -45.9 29.7 6.5 9.8 80 111 A Q T 4 S+ 0 0 157 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.795 121.5 39.9 -74.9 -32.4 31.1 5.5 13.2 81 112 A R T 4 S+ 0 0 18 1,-0.3 -46,-2.4 2,-0.1 -45,-0.3 0.741 128.4 30.4 -91.8 -29.0 33.2 2.5 12.1 82 113 A F S >< S+ 0 0 3 -4,-2.5 3,-0.9 -48,-0.2 -1,-0.3 -0.630 72.5 162.8-123.8 69.5 34.6 4.0 8.8 83 114 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.898 76.9 47.4 -57.4 -39.4 34.6 7.7 9.8 84 115 A H T 3 S- 0 0 124 1,-0.2 4,-0.5 -3,-0.1 -4,-0.1 0.616 106.7-135.5 -80.4 -15.7 36.9 8.5 7.0 85 116 A G <> - 0 0 22 -3,-0.9 4,-1.5 -7,-0.2 -1,-0.2 -0.135 26.9 -74.5 83.4 178.1 34.9 6.6 4.3 86 117 A I H > S+ 0 0 4 2,-0.2 4,-4.3 1,-0.2 5,-0.2 0.942 119.6 63.0 -84.9 -50.6 36.2 4.3 1.6 87 118 A R H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 112.4 41.7 -35.0 -53.5 37.7 6.7 -1.0 88 119 A Q H > S+ 0 0 116 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.962 114.3 49.9 -65.6 -49.6 40.2 7.7 1.7 89 120 A L H X S+ 0 0 8 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.937 113.0 48.4 -52.1 -46.8 40.7 4.1 2.9 90 121 A A H >X S+ 0 0 0 -4,-4.3 4,-2.6 1,-0.2 3,-0.6 0.985 109.6 52.6 -53.6 -70.4 41.3 3.1 -0.7 91 122 A N H 3X S+ 0 0 100 -4,-2.4 4,-2.1 40,-0.4 -1,-0.2 0.786 109.2 48.9 -20.1 -58.9 43.7 5.9 -1.1 92 123 A Y H 3X S+ 0 0 62 -4,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.936 111.7 48.6 -61.4 -47.4 45.7 4.9 2.0 93 124 A V H X<>S+ 0 0 0 -4,-2.5 5,-2.0 -3,-0.6 3,-0.9 0.921 109.3 52.6 -58.5 -48.0 45.9 1.2 0.8 94 125 A H H ><5S+ 0 0 59 -4,-2.6 3,-4.9 1,-0.3 4,-0.4 0.970 101.7 60.0 -52.2 -57.8 47.0 2.2 -2.6 95 126 A S H 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.722 101.2 54.8 -42.6 -32.1 49.8 4.3 -1.2 96 127 A K T <<5S- 0 0 53 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.366 127.1-103.5 -86.3 6.4 51.2 1.2 0.5 97 128 A G T < 5S+ 0 0 31 -3,-4.9 -3,-0.2 1,-0.3 -2,-0.2 0.709 83.1 124.3 82.5 23.7 51.3 -0.4 -3.0 98 129 A L < - 0 0 4 -5,-2.0 2,-0.4 -4,-0.4 -1,-0.3 -0.504 54.4-126.7-110.9 175.5 48.2 -2.5 -2.2 99 130 A K E -c 57 0A 75 -43,-2.4 -41,-3.1 -2,-0.2 2,-0.5 -0.981 19.6-130.7-130.7 145.7 44.7 -3.1 -3.8 100 131 A L E -c 58 0A 0 32,-0.4 34,-3.0 -2,-0.4 35,-1.1 -0.790 14.0-168.2-107.5 124.6 41.2 -2.8 -2.2 101 132 A G E -cd 59 135A 0 -43,-2.9 -41,-1.8 -2,-0.5 2,-0.3 -0.767 6.7-174.1-100.1 150.9 38.3 -5.2 -2.3 102 133 A I E - d 0 136A 1 33,-1.7 35,-2.5 -2,-0.3 2,-0.4 -0.864 16.7-127.0-133.2 169.0 34.7 -4.4 -1.1 103 134 A Y E + d 0 137A 1 -42,-0.4 2,-0.3 -2,-0.3 35,-0.2 -0.963 28.8 157.8-127.9 140.9 31.6 -6.6 -0.7 104 135 A A E - d 0 138A 0 33,-2.6 35,-3.3 -2,-0.4 2,-0.4 -0.916 28.5-123.8-151.1 172.7 28.0 -6.3 -2.0 105 136 A D E - d 0 139A 0 33,-0.3 12,-2.0 -2,-0.3 13,-0.2 -0.978 10.5-137.9-135.6 132.8 25.0 -8.5 -2.7 106 137 A V S S+ 0 0 1 33,-2.9 34,-0.1 -2,-0.4 15,-0.1 0.833 84.1 56.7 -56.4 -36.1 22.9 -9.2 -5.8 107 138 A G S S- 0 0 0 34,-0.7 11,-1.7 2,-0.4 10,-1.3 0.239 109.6 -67.7 -88.4-157.5 19.6 -9.1 -3.9 108 139 A N S S+ 0 0 108 34,-2.3 8,-1.8 8,-0.2 2,-0.3 0.646 113.4 10.8 -69.8 -17.7 17.5 -6.9 -1.6 109 140 A K B S-J 115 0C 84 33,-0.5 -2,-0.4 32,-0.5 8,-0.2 -0.990 74.9-108.3-153.3 157.0 20.1 -7.3 1.2 110 141 A T > - 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0 0 7 389,-0.3 4,-2.6 -2,-0.3 391,-0.2 -0.282 40.3 -92.8 -81.9 177.2 46.8 -29.0 12.9 246 277 A W H > S+ 0 0 84 389,-0.3 4,-2.6 1,-0.2 3,-0.4 0.979 126.7 45.3 -58.3 -59.5 50.1 -28.5 11.0 247 278 A N H > S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 134,-0.2 0.778 113.2 52.5 -58.3 -27.6 49.5 -31.4 8.6 248 279 A Q H > S+ 0 0 2 385,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.886 107.4 50.2 -74.5 -39.0 46.0 -30.2 8.1 249 280 A Q H X S+ 0 0 18 -4,-2.6 4,-2.3 -3,-0.4 -2,-0.2 0.905 110.4 50.5 -63.7 -38.3 47.2 -26.7 7.3 250 281 A V H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.964 105.6 57.5 -66.0 -42.7 49.7 -28.3 4.8 251 282 A T H X S+ 0 0 1 -4,-2.3 4,-2.1 128,-0.3 -1,-0.2 0.888 109.7 45.9 -47.1 -40.6 46.8 -30.2 3.3 252 283 A Q H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.986 114.5 43.0 -70.5 -52.2 45.1 -26.9 2.7 253 284 A M H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.887 116.3 49.5 -65.1 -41.6 47.9 -25.0 1.2 254 285 A A H >X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.2 3,-0.7 0.975 115.1 43.0 -59.9 -53.8 49.0 -27.9 -0.9 255 286 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.4 -2,-0.2 0.783 108.3 56.7 -71.7 -24.7 45.5 -28.6 -2.2 256 287 A W H 3<>S+ 0 0 0 -4,-2.9 5,-1.8 2,-0.2 -1,-0.3 0.806 108.9 50.3 -69.1 -27.4 44.6 -24.9 -2.9 257 288 A A H X<5S+ 0 0 0 -4,-1.3 3,-2.0 -3,-0.7 40,-0.2 0.976 110.9 46.1 -72.7 -54.0 47.8 -24.8 -5.1 258 289 A I H 3<5S+ 0 0 0 -4,-2.2 39,-2.2 1,-0.3 -2,-0.2 0.884 110.8 57.5 -45.5 -43.0 46.8 -28.0 -7.0 259 290 A M T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 -27,-0.2 0.478 101.1-132.3 -72.7 -3.2 43.3 -26.4 -7.3 260 291 A A T < 5 + 0 0 0 -3,-2.0 -28,-0.3 -4,-0.2 -3,-0.2 0.927 52.9 163.4 42.8 47.7 44.4 -23.1 -9.0 261 292 A A < - 0 0 0 -5,-1.8 -28,-0.2 1,-0.1 -1,-0.2 -0.597 45.8-101.0 -90.7 153.0 42.3 -21.4 -6.4 262 293 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 -251,-0.2 -0.360 34.3-134.9 -64.1 153.1 42.4 -17.8 -5.4 263 294 A L E +a 11 0A 0 -253,-2.9 -251,-2.8 -254,-0.2 2,-0.6 -0.753 36.7 158.4-121.6 89.5 44.3 -17.3 -2.2 264 295 A F E -a 12 0A 13 -2,-0.6 -27,-2.8 -253,-0.2 -251,-0.3 -0.944 29.5-147.4-107.5 115.0 42.5 -15.0 0.2 265 296 A M E -ah 13 237A 0 -253,-2.3 -251,-2.8 -2,-0.6 2,-0.4 -0.609 9.7-164.8 -76.6 141.5 43.7 -15.5 3.8 266 297 A S + 0 0 0 -29,-2.4 2,-0.3 -2,-0.3 -251,-0.1 -0.818 50.1 99.7-121.2 93.6 41.2 -15.0 6.6 267 298 A N S S- 0 0 0 -2,-0.4 2,-0.9 -253,-0.1 -249,-0.1 -0.919 79.6 -83.6-159.8 176.6 43.4 -14.8 9.7 268 299 A D > - 0 0 5 3,-0.3 3,-1.8 -2,-0.3 -2,-0.0 -0.800 28.1-169.4-104.0 97.8 45.0 -12.3 12.0 269 300 A L T 3 S+ 0 0 6 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.666 85.6 64.1 -56.6 -18.8 48.2 -11.0 10.6 270 301 A R T 3 S+ 0 0 60 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.731 114.0 27.6 -80.0 -27.6 48.9 -9.4 14.0 271 302 A H S < S+ 0 0 141 -3,-1.8 2,-0.3 2,-0.0 -3,-0.3 -0.813 82.1 141.7-136.0 102.3 49.1 -12.7 15.8 272 303 A I - 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