==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-02 1KTC . COMPND 2 MOLECULE: ALPHA-N-ACETYLGALACTOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.C.GARMAN,L.HANNICK,A.ZHU,D.N.GARBOCZI . 388 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 0 3 0 0 1 1 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 1 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A L 0 0 29 0, 0.0 2,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 117.8 74.5 49.7 40.0 2 2 A E + 0 0 144 189,-0.4 228,-0.1 1,-0.2 229,-0.0 -0.476 360.0 118.2 -83.9 70.5 75.1 53.3 40.9 3 3 A N S S- 0 0 43 -2,-1.8 -1,-0.2 2,-0.3 3,-0.1 0.111 89.0-106.3-117.5 17.7 73.1 55.0 38.3 4 4 A G S S+ 0 0 56 1,-0.2 3,-0.3 -3,-0.2 2,-0.2 0.496 86.3 115.1 71.6 3.3 70.7 56.7 40.7 5 5 A L + 0 0 33 -4,-0.3 -2,-0.3 1,-0.2 -1,-0.2 -0.650 60.3 22.1-106.9 163.0 68.0 54.3 39.8 6 6 A A + 0 0 11 -2,-0.2 224,-2.6 1,-0.1 -1,-0.2 0.894 60.0 157.8 53.3 46.6 66.1 51.5 41.6 7 7 A R S S+ 0 0 104 -3,-0.3 -1,-0.1 222,-0.3 224,-0.1 0.684 78.2 29.1 -71.6 -15.8 66.8 53.0 45.0 8 8 A T S S- 0 0 47 221,-0.1 283,-0.1 222,-0.1 3,-0.1 -0.907 118.6 -72.8-132.5 159.0 63.8 50.9 45.9 9 9 A P - 0 0 0 0, 0.0 255,-0.1 0, 0.0 253,-0.1 -0.289 61.9-100.4 -55.6 134.0 62.6 47.7 44.2 10 10 A P - 0 0 5 0, 0.0 254,-2.6 0, 0.0 2,-0.4 -0.273 38.3-157.9 -57.8 138.7 61.2 48.5 40.8 11 11 A M E +a 264 0A 4 43,-0.3 46,-2.0 252,-0.2 45,-1.8 -0.968 39.0 78.5-121.5 136.5 57.4 48.5 40.7 12 12 A G E S-ab 265 57A 0 252,-2.5 254,-2.6 -2,-0.4 2,-0.4 -0.948 71.2 -56.6 170.9-148.8 55.3 48.1 37.5 13 13 A W E -ab 266 58A 0 44,-3.1 46,-3.0 -2,-0.3 2,-0.4 -0.980 34.1-168.2-133.3 141.4 53.8 45.6 35.0 14 14 A L E - b 0 59A 9 252,-3.3 4,-0.4 -2,-0.4 46,-0.2 -1.000 15.2-145.9-134.8 132.3 55.7 43.0 32.9 15 15 A A S >>S+ 0 0 0 44,-1.9 4,-2.4 -2,-0.4 5,-0.6 0.787 73.0 82.1 -68.7 -34.6 54.1 41.1 30.0 16 16 A W H >5S+ 0 0 48 3,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.854 84.4 45.0 -45.9 -68.8 55.8 37.7 30.1 17 17 A E H 45S+ 0 0 8 1,-0.2 -1,-0.2 2,-0.2 187,-0.1 0.908 124.6 32.9 -48.0 -49.9 54.2 35.3 32.7 18 18 A R H 45S+ 0 0 43 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.901 134.2 23.5 -76.1 -42.5 50.6 36.1 31.7 19 19 A F H ><5S+ 0 0 7 -4,-2.4 3,-1.4 1,-0.1 -3,-0.2 0.646 80.9 174.6-102.1 -17.1 50.9 36.8 28.0 20 20 A R T 3<< - 0 0 77 -4,-2.8 -1,-0.1 -5,-0.6 41,-0.1 -0.078 64.5 -28.0 47.4-137.3 54.1 34.9 27.0 21 21 A a T 3 S+ 0 0 45 11,-0.0 2,-0.7 -5,-0.0 -1,-0.2 -0.244 80.7 155.1-106.5 43.6 54.9 34.8 23.3 22 22 A N < + 0 0 39 -3,-1.4 11,-3.4 9,-0.2 -3,-0.0 -0.616 7.4 161.9 -75.3 111.4 51.4 35.1 21.9 23 23 A V + 0 0 68 -2,-0.7 2,-1.7 9,-0.2 3,-0.2 0.217 40.2 110.2-114.3 13.6 51.7 36.6 18.4 24 24 A N >> + 0 0 55 1,-0.2 4,-2.6 2,-0.1 3,-0.6 -0.496 31.3 156.7 -87.2 66.9 48.2 35.5 17.3 25 25 A b T 34 + 0 0 37 -2,-1.7 -1,-0.2 1,-0.2 7,-0.1 0.687 65.0 68.1 -67.1 -16.7 46.8 39.1 17.2 26 26 A R T 34 S+ 0 0 203 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.900 118.2 19.1 -68.8 -41.2 44.2 37.9 14.7 27 27 A E T <4 S+ 0 0 114 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.658 134.6 40.9-102.6 -20.9 42.4 35.7 17.3 28 28 A D X + 0 0 51 -4,-2.6 4,-2.3 1,-0.1 -1,-0.2 -0.532 63.0 159.7-126.5 64.9 43.8 37.3 20.5 29 29 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.840 81.9 36.9 -53.9 -37.5 43.7 41.1 19.7 30 30 A R T 4 S+ 0 0 168 -3,-0.1 4,-0.1 1,-0.1 -2,-0.1 0.797 122.6 40.6 -88.1 -31.5 43.8 41.9 23.5 31 31 A Q T 4 S+ 0 0 63 -7,-0.1 -9,-0.2 2,-0.1 -1,-0.1 0.590 92.4 99.6 -95.6 -10.8 46.1 39.1 24.7 32 32 A b S < S- 0 0 1 -4,-2.3 2,-1.0 -8,-0.1 -9,-0.2 -0.337 87.1 -98.8 -75.0 157.0 48.7 39.1 21.9 33 33 A I S S+ 0 0 3 -11,-3.4 2,-0.3 -14,-0.1 -8,-0.1 -0.664 72.9 127.0 -77.9 105.6 52.0 40.9 22.2 34 34 A S S >> S- 0 0 8 -2,-1.0 4,-1.2 -4,-0.1 3,-0.7 -0.948 76.0 -95.9-152.1 169.8 51.4 44.2 20.4 35 35 A E H 3> S+ 0 0 9 46,-3.0 4,-2.0 -2,-0.3 5,-0.2 0.833 120.9 62.0 -60.6 -30.9 51.8 47.9 20.9 36 36 A M H 3> S+ 0 0 78 45,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.856 97.1 56.6 -63.9 -36.9 48.1 47.9 21.9 37 37 A L H <> S+ 0 0 3 -3,-0.7 4,-2.0 -5,-0.2 -1,-0.2 0.947 111.3 42.5 -60.2 -48.4 48.7 45.6 24.9 38 38 A F H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.849 113.0 52.0 -68.3 -36.1 51.3 48.0 26.4 39 39 A M H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.916 112.4 46.2 -67.6 -42.0 49.2 51.2 25.7 40 40 A E H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.852 111.3 50.2 -69.7 -35.6 46.2 49.7 27.4 41 41 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.878 109.3 54.1 -69.5 -33.4 48.1 48.5 30.4 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 107.9 48.3 -64.4 -42.8 49.6 52.0 30.6 43 43 A D H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.920 111.7 51.4 -61.5 -42.6 46.0 53.4 30.6 44 44 A R H X S+ 0 0 56 -4,-2.2 4,-2.8 2,-0.2 6,-0.5 0.922 111.2 45.7 -58.8 -49.2 45.1 50.9 33.4 45 45 A I H < S+ 0 0 0 -4,-2.7 6,-2.5 1,-0.2 5,-0.3 0.900 117.2 45.5 -62.4 -41.4 48.1 51.9 35.5 46 46 A A H < S+ 0 0 6 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.802 123.1 33.3 -73.5 -30.1 47.4 55.6 35.0 47 47 A E H < S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.751 108.9 57.8-101.0 -27.1 43.7 55.4 35.6 48 48 A D S < S- 0 0 47 -4,-2.8 -1,-0.1 -5,-0.2 -2,-0.1 0.121 114.4 -94.6 -97.0 24.4 43.0 52.7 38.2 49 49 A G S > S+ 0 0 27 -3,-0.2 4,-0.8 -4,-0.2 -4,-0.1 0.382 94.4 113.7 86.5 -3.7 45.1 54.0 41.0 50 50 A W H >>>S+ 0 0 1 -6,-0.5 5,-1.5 -5,-0.3 3,-0.8 0.932 71.2 56.2 -66.5 -47.7 48.3 52.0 40.3 51 51 A R H >45S+ 0 0 83 -6,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.878 104.0 53.1 -52.7 -45.2 50.5 55.0 39.4 52 52 A E H 345S+ 0 0 127 1,-0.3 -1,-0.3 -7,-0.3 -2,-0.2 0.794 105.0 56.3 -62.6 -30.0 49.9 56.8 42.6 53 53 A L H <<5S- 0 0 36 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.640 129.1 -92.6 -77.6 -15.2 51.0 53.8 44.6 54 54 A G T <<5S+ 0 0 30 -3,-1.1 2,-0.8 -4,-0.8 -43,-0.3 0.222 80.7 135.5 124.0 -15.3 54.3 53.6 42.9 55 55 A Y < + 0 0 0 -5,-1.5 -1,-0.3 1,-0.2 -43,-0.3 -0.554 18.1 142.7 -69.0 107.5 53.7 51.3 39.9 56 56 A K + 0 0 81 -45,-1.8 43,-3.3 -2,-0.8 2,-0.4 0.617 33.4 92.7-123.0 -19.4 55.4 53.1 37.0 57 57 A Y E -bc 12 99A 7 -46,-2.0 -44,-3.1 41,-0.2 2,-0.6 -0.658 43.3-172.4 -88.3 132.2 57.1 50.6 34.7 58 58 A I E -bc 13 100A 0 41,-2.9 43,-2.9 -2,-0.4 2,-0.5 -0.951 23.5-163.4-117.4 103.3 55.3 49.1 31.7 59 59 A N E -bc 14 101A 8 -46,-3.0 -44,-1.9 -2,-0.6 2,-0.3 -0.816 16.9-152.9-106.7 129.4 57.7 46.4 30.5 60 60 A I - 0 0 1 41,-2.7 78,-0.2 -2,-0.5 2,-0.1 -0.692 21.1-173.6 -85.9 138.1 57.9 44.6 27.1 61 61 A D - 0 0 6 1,-0.3 3,-0.4 -2,-0.3 42,-0.4 -0.168 40.2 -26.5-113.1-149.0 59.4 41.1 27.3 62 62 A D S S+ 0 0 7 1,-0.2 -1,-0.3 -2,-0.1 42,-0.0 -0.099 112.0 39.3 -64.0 160.4 60.3 38.6 24.6 63 63 A a S S+ 0 0 0 -3,-0.1 -1,-0.2 -42,-0.1 -30,-0.1 0.665 77.2 109.4 76.4 24.0 58.7 38.3 21.2 64 64 A W + 0 0 8 -3,-0.4 14,-2.7 39,-0.1 -2,-0.1 0.757 60.5 77.9 -97.5 -29.2 58.3 42.1 20.4 65 65 A A B S-I 77 0B 4 12,-0.3 2,-0.1 1,-0.1 13,-0.1 -0.181 88.2 -93.0 -80.8 170.3 60.9 42.4 17.6 66 66 A A - 0 0 5 10,-3.1 10,-0.2 2,-0.2 -1,-0.1 -0.443 44.7-106.0 -75.2 159.5 61.0 41.5 14.0 67 67 A K S S+ 0 0 123 47,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.588 103.0 23.1 -66.1 -10.7 62.4 38.1 13.2 68 68 A Q S S- 0 0 127 8,-0.1 8,-0.2 47,-0.1 -2,-0.2 -0.982 88.0-101.2-151.4 157.3 65.6 39.8 11.9 69 69 A R - 0 0 46 -2,-0.3 6,-0.2 1,-0.1 -2,-0.0 -0.346 49.3 -99.4 -72.6 160.6 67.4 43.1 12.2 70 70 A D > - 0 0 56 4,-2.5 3,-1.5 1,-0.1 -1,-0.1 -0.033 46.3 -86.3 -70.2-174.1 66.9 45.6 9.5 71 71 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.838 129.3 59.2 -64.2 -32.0 69.6 46.0 6.7 72 72 A E T 3 S- 0 0 162 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.489 120.2-109.0 -76.4 -1.8 71.5 48.5 8.9 73 73 A G S < S+ 0 0 21 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.709 74.3 135.8 82.4 21.7 71.9 45.8 11.5 74 74 A R - 0 0 62 -6,-0.0 -4,-2.5 1,-0.0 -1,-0.3 -0.736 59.5-108.5-105.3 151.6 69.5 47.4 14.0 75 75 A L - 0 0 6 -2,-0.3 -6,-0.1 -6,-0.2 -1,-0.0 -0.546 38.6-176.8 -74.6 138.8 66.7 45.9 16.1 76 76 A V - 0 0 40 -8,-0.2 -10,-3.1 -2,-0.2 -8,-0.1 -0.989 25.7-112.1-137.2 145.6 63.2 46.8 14.9 77 77 A P B -I 65 0B 17 0, 0.0 -12,-0.3 0, 0.0 -11,-0.1 -0.286 51.7 -77.5 -72.6 162.6 59.8 45.9 16.4 78 78 A D > - 0 0 26 -14,-2.7 4,-2.3 1,-0.1 7,-0.2 -0.466 42.0-139.2 -63.6 124.1 57.4 43.6 14.6 79 79 A P T 4 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.847 96.9 40.4 -51.7 -45.8 55.8 45.7 11.8 80 80 A E T 4 S+ 0 0 171 1,-0.2 -2,-0.1 2,-0.1 -46,-0.0 0.884 122.0 39.7 -76.9 -41.3 52.3 44.4 12.1 81 81 A R T 4 S+ 0 0 16 1,-0.2 -46,-3.0 -17,-0.1 -45,-0.4 0.692 128.0 31.2 -83.8 -18.9 52.1 44.2 15.9 82 82 A F >< + 0 0 4 -4,-2.3 3,-2.1 -48,-0.2 -1,-0.2 -0.411 69.2 160.8-134.5 57.4 54.0 47.5 16.6 83 83 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.632 75.3 48.7 -55.3 -19.4 53.0 49.7 13.5 84 84 A R T 3> S- 0 0 139 1,-0.2 4,-0.6 -3,-0.1 5,-0.1 0.373 109.3-124.2-103.5 4.2 54.0 53.0 15.2 85 85 A G H <> - 0 0 22 -3,-2.1 4,-1.2 -7,-0.2 -1,-0.2 0.072 27.6 -76.4 76.7 169.1 57.4 51.9 16.5 86 86 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 123.3 59.2 -71.1 -47.3 58.9 51.8 20.0 87 87 A K H > S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 107.0 49.3 -51.1 -42.3 59.6 55.5 20.3 88 88 A A H X S+ 0 0 39 -4,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.897 110.2 50.6 -65.1 -40.0 56.0 56.3 19.8 89 89 A L H X S+ 0 0 5 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.920 110.3 50.7 -63.2 -42.6 55.0 53.7 22.4 90 90 A A H X S+ 0 0 0 -4,-2.9 4,-3.6 42,-0.2 -2,-0.2 0.915 108.4 50.8 -61.2 -46.2 57.5 55.2 24.8 91 91 A D H X S+ 0 0 82 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.921 110.0 51.4 -57.2 -43.5 56.1 58.8 24.3 92 92 A Y H < S+ 0 0 77 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.914 114.2 42.0 -58.9 -48.1 52.6 57.4 24.9 93 93 A V H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-1.4 0.925 114.6 52.1 -65.5 -45.2 53.7 55.8 28.2 94 94 A H H ><5S+ 0 0 57 -4,-3.6 3,-2.5 1,-0.3 -2,-0.2 0.879 100.1 62.2 -58.5 -40.4 55.8 58.9 29.1 95 95 A A T 3<5S+ 0 0 91 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 102.9 52.0 -59.9 -19.6 52.8 61.1 28.5 96 96 A R T < 5S- 0 0 69 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.352 122.0-107.4 -97.6 4.0 51.1 59.2 31.3 97 97 A G T < 5S+ 0 0 56 -3,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.667 83.8 119.9 78.5 16.8 54.0 59.8 33.7 98 98 A L < - 0 0 3 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.469 58.4-122.2-105.1 178.1 55.0 56.1 33.4 99 99 A K E -c 57 0A 69 -43,-3.3 -41,-2.9 -2,-0.2 2,-0.5 -0.941 14.1-133.2-126.0 148.3 58.1 54.4 32.1 100 100 A L E -c 58 0A 0 33,-0.4 35,-3.1 -2,-0.3 36,-1.3 -0.860 16.8-166.3-105.3 130.0 58.7 51.9 29.3 101 101 A G E -cd 59 136A 0 -43,-2.9 -41,-2.7 -2,-0.5 2,-0.3 -0.836 6.3-166.3-110.8 150.4 60.8 48.8 29.7 102 102 A I E - d 0 137A 3 34,-2.6 36,-2.3 -2,-0.3 2,-0.4 -0.814 12.5-125.1-129.1 173.0 62.1 46.6 26.9 103 103 A Y E + d 0 138A 1 -42,-0.4 2,-0.3 -2,-0.3 36,-0.2 -0.944 27.4 160.6-126.9 143.3 63.7 43.1 26.5 104 104 A G E - d 0 139A 5 34,-2.4 36,-2.9 -2,-0.4 2,-0.4 -0.892 26.6-132.8-147.5 170.8 66.8 41.9 24.9 105 105 A D E - d 0 140A 0 -2,-0.3 12,-3.7 10,-0.3 2,-1.4 -0.984 12.6-136.8-137.8 123.5 69.0 38.7 25.1 106 106 A L B S+j 117 0C 1 34,-2.9 2,-0.3 -2,-0.4 12,-0.2 -0.666 79.6 52.2 -77.1 95.3 72.8 38.6 25.5 107 107 A G S S- 0 0 3 -2,-1.4 37,-0.2 10,-0.7 36,-0.2 -0.967 105.9 -64.3 165.1-171.6 73.3 35.8 22.9 108 108 A R S S+ 0 0 151 35,-2.0 8,-1.3 -2,-0.3 2,-0.3 0.781 115.0 9.2 -73.6 -32.4 72.7 34.6 19.3 109 109 A L B S-K 115 0D 72 33,-0.3 -1,-0.2 6,-0.2 2,-0.1 -0.981 77.6-109.5-147.1 153.7 68.9 34.4 20.0 110 110 A T > - 0 0 4 4,-2.6 3,-2.4 -2,-0.3 6,-0.1 -0.449 46.3-102.4 -75.4 159.8 66.4 35.4 22.6 111 111 A c T 3 S+ 0 0 51 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.777 125.4 53.3 -56.2 -24.3 64.9 32.4 24.4 112 112 A G T 3 S- 0 0 33 30,-0.0 -1,-0.3 2,-0.0 -91,-0.0 0.464 125.1 -99.3 -92.0 -3.4 61.8 32.8 22.2 113 113 A G S < S+ 0 0 37 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.637 79.3 130.3 95.5 14.9 63.7 32.8 18.9 114 114 A Y S S- 0 0 9 1,-0.2 -4,-2.6 -46,-0.0 -1,-0.3 -0.529 71.2 -58.8 -96.9 165.9 64.0 36.5 18.2 115 115 A P B -K 109 0D 19 0, 0.0 -10,-0.3 0, 0.0 -6,-0.2 -0.162 59.0-143.8 -48.3 124.8 67.1 38.5 17.3 116 116 A G - 0 0 5 -8,-1.3 2,-1.0 -12,-0.1 -10,-0.2 -0.478 13.3-118.0 -91.0 161.8 69.7 38.2 20.0 117 117 A T B -j 106 0C 1 -12,-3.7 -10,-0.7 -2,-0.2 -8,-0.1 -0.803 36.6-170.0-100.3 90.9 72.2 40.9 21.2 118 118 A T >> - 0 0 43 -2,-1.0 3,-2.2 -12,-0.2 4,-0.7 -0.321 40.5 -95.1 -74.0 165.5 75.6 39.4 20.4 119 119 A L G >4 S+ 0 0 56 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.828 125.7 54.3 -51.9 -38.7 78.7 41.1 21.8 120 120 A D G 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.565 110.4 48.8 -75.2 -6.6 79.2 43.1 18.6 121 121 A R G <> S+ 0 0 62 -3,-2.2 4,-3.1 2,-0.1 5,-0.3 0.486 82.8 93.3-108.8 -7.3 75.7 44.4 18.9 122 122 A V H S+ 0 0 92 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.919 117.0 48.6 -58.0 -44.8 76.7 49.2 22.0 124 124 A Q H > S+ 0 0 41 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.927 113.0 46.1 -63.0 -45.9 74.3 49.5 19.0 125 125 A D H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.903 111.8 50.7 -64.8 -40.8 71.3 48.0 20.8 126 126 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.895 113.3 48.3 -61.8 -37.8 71.9 50.0 24.0 127 127 A Q H X S+ 0 0 107 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.906 109.7 51.3 -67.8 -44.2 72.0 53.0 21.6 128 128 A T H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.924 110.6 49.0 -60.5 -45.4 68.9 52.0 19.8 129 129 A F H X>S+ 0 0 1 -4,-2.7 5,-2.4 2,-0.2 4,-0.8 0.916 110.4 49.3 -62.2 -45.4 67.0 51.6 23.1 130 130 A A H ><5S+ 0 0 15 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.939 108.9 52.9 -59.9 -47.4 68.0 55.0 24.5 131 131 A E H 3<5S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.0 54.5 -57.2 -35.9 67.0 56.8 21.2 132 132 A W H 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -5,-0.2 -42,-0.2 0.688 121.6-109.3 -71.8 -18.7 63.6 55.2 21.5 133 133 A G T <<5 + 0 0 7 -3,-1.4 -33,-0.4 -4,-0.8 -3,-0.2 0.679 55.0 173.1 96.8 21.3 63.2 56.6 25.0 134 134 A V < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.1 -33,-0.2 -0.329 18.7-173.2 -63.6 142.9 63.5 53.3 26.8 135 135 A D + 0 0 12 -35,-3.1 33,-2.7 1,-0.3 2,-0.3 0.582 66.9 26.8-112.9 -17.4 63.7 53.5 30.6 136 136 A M E -de 101 168A 4 -36,-1.3 -34,-2.6 31,-0.3 2,-0.4 -0.997 59.4-163.8-148.2 145.8 64.4 49.9 31.6 137 137 A L E -de 102 169A 0 31,-2.8 33,-3.0 -2,-0.3 2,-0.6 -0.982 6.1-160.9-137.1 125.7 66.1 46.9 30.0 138 138 A K E -de 103 170A 19 -36,-2.3 -34,-2.4 -2,-0.4 2,-0.8 -0.918 14.3-158.0-103.8 120.3 65.9 43.2 31.0 139 139 A L E -de 104 171A 0 31,-3.1 33,-2.0 -2,-0.6 -34,-0.3 -0.853 7.5-161.3-106.6 103.7 68.8 41.3 29.4 140 140 A D E -d 105 0A 16 -36,-2.9 -34,-2.9 -2,-0.8 33,-0.1 -0.161 11.0-141.8 -72.8 169.0 68.1 37.6 29.1 141 141 A G > + 0 0 1 -36,-0.2 3,-0.7 31,-0.1 -36,-0.1 0.123 44.4 135.9-126.7 28.2 70.9 35.0 28.7 142 142 A c T 3 S+ 0 0 24 1,-0.2 -33,-0.3 -35,-0.1 3,-0.1 -0.368 72.5 16.1 -72.3 155.0 69.8 32.3 26.3 143 143 A Y T 3 S+ 0 0 137 -36,-0.2 -35,-2.0 1,-0.1 2,-0.3 0.812 99.2 106.2 52.3 42.1 72.2 31.2 23.6 144 144 A S < - 0 0 20 -3,-0.7 -1,-0.1 -37,-0.2 2,-0.1 -0.988 65.4-122.6-144.2 143.1 75.4 32.6 25.1 145 145 A S > - 0 0 49 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.415 30.3-107.1 -82.3 163.9 78.2 30.9 26.9 146 146 A G H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.872 123.0 52.1 -57.2 -37.4 79.4 31.6 30.4 147 147 A K H > S+ 0 0 185 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.915 109.6 48.3 -65.3 -43.7 82.4 33.3 28.9 148 148 A E H > S+ 0 0 50 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.874 112.2 49.5 -65.1 -36.3 80.3 35.5 26.6 149 149 A Q H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 104.1 57.8 -70.1 -40.3 78.1 36.4 29.5 150 150 A A H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.826 118.1 35.0 -58.0 -30.8 81.0 37.4 31.7 151 151 A Q H X S+ 0 0 93 -4,-1.2 4,-1.8 -5,-0.1 -2,-0.2 0.897 118.9 48.9 -88.2 -48.5 82.0 39.8 29.0 152 152 A G H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.862 104.9 53.0 -63.8 -45.0 78.5 40.9 27.7 153 153 A Y H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.958 115.2 40.3 -61.2 -49.9 76.7 41.8 31.0 154 154 A P H > S+ 0 0 17 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.921 115.2 55.8 -64.2 -35.8 79.4 44.2 32.2 155 155 A Q H X S+ 0 0 24 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.873 105.7 49.3 -61.7 -40.1 79.7 45.4 28.7 156 156 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.836 105.3 58.1 -70.4 -32.4 76.0 46.3 28.4 157 157 A A H X S+ 0 0 15 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.942 109.9 44.8 -61.2 -45.3 76.2 48.2 31.7 158 158 A R H X S+ 0 0 145 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.923 111.9 52.2 -63.9 -44.6 78.9 50.4 30.2 159 159 A A H X S+ 0 0 9 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.905 108.6 50.4 -59.1 -44.5 77.0 50.8 26.9 160 160 A L H ><>S+ 0 0 8 -4,-2.7 3,-0.6 1,-0.2 5,-0.6 0.914 109.9 50.2 -60.8 -44.2 73.8 51.9 28.7 161 161 A N H ><5S+ 0 0 122 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.900 104.3 59.2 -61.0 -41.8 75.7 54.5 30.7 162 162 A A H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 92.6 65.9 -60.1 -28.6 77.3 55.9 27.6 163 163 A T T <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.676 102.6-134.1 -68.7 -15.1 74.0 56.7 26.0 164 164 A G T < 5 + 0 0 65 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.442 68.6 119.2 76.4 -1.6 73.6 59.2 28.8 165 165 A R S > + 0 0 2 -33,-2.0 4,-1.2 -2,-0.5 3,-0.7 0.407 57.5 112.5 -94.6 3.5 69.4 37.3 34.1 173 173 A W H >> S+ 0 0 33 -34,-0.2 4,-0.8 1,-0.2 3,-0.5 0.841 71.8 51.8 -41.7 -54.4 73.1 36.4 34.2 174 174 A P H >4>S+ 0 0 1 0, 0.0 5,-2.5 0, 0.0 3,-1.0 0.880 102.6 58.9 -56.1 -42.0 72.9 34.6 37.6 175 175 A A H X45S+ 0 0 32 22,-1.5 3,-1.0 -3,-0.7 -2,-0.2 0.874 105.3 49.8 -56.4 -38.4 70.0 32.3 36.6 176 176 A Y H <<5S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.5 -3,-0.1 0.680 111.4 49.8 -76.0 -16.5 72.0 30.9 33.7 177 177 A Q T <<5S- 0 0 36 -3,-1.0 3,-0.4 -4,-0.8 -1,-0.2 0.270 125.8 -95.0-105.1 10.8 75.0 30.2 35.9 178 178 A G T < 5 - 0 0 48 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.371 47.2-106.0 95.4 -7.9 73.0 28.4 38.7 179 179 A G S S- 0 0 55 -3,-0.4 4,-1.8 -6,-0.2 3,-0.3 -0.906 70.9 -72.1-128.1 154.4 75.0 30.4 43.6 181 181 A P T 4 S+ 0 0 64 0, 0.0 4,-0.1 0, 0.0 41,-0.0 -0.420 102.9 32.4 -74.6 157.8 78.7 31.1 44.4 182 182 A P T 4 S+ 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.990 127.0 44.2 -80.1 -14.3 81.4 30.5 43.4 183 183 A K T 4 S+ 0 0 146 -3,-0.3 2,-0.4 -6,-0.1 -5,-0.1 0.889 117.8 51.3 -56.3 -39.0 80.0 30.5 39.8 184 184 A V < - 0 0 10 -4,-1.8 2,-0.7 -7,-0.1 3,-0.1 -0.849 69.7-160.9-103.2 136.2 78.0 33.6 40.6 185 185 A N > - 0 0 89 -2,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.888 7.3-177.0-114.7 96.7 79.7 36.7 42.1 186 186 A Y H > S+ 0 0 6 -2,-0.7 4,-1.9 1,-0.2 -1,-0.1 0.677 80.7 62.8 -69.7 -17.4 76.9 38.8 43.6 187 187 A T H > S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.942 107.1 44.2 -70.1 -45.0 79.4 41.6 44.6 188 188 A L H >> S+ 0 0 53 1,-0.2 4,-1.8 -3,-0.2 3,-0.6 0.915 110.6 54.6 -63.4 -44.3 80.1 42.1 40.9 189 189 A L H 3X S+ 0 0 3 -4,-1.9 4,-3.3 1,-0.3 -1,-0.2 0.910 103.9 55.6 -57.0 -42.1 76.4 41.9 40.0 190 190 A G H 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.839 108.1 49.7 -60.3 -30.9 75.7 44.7 42.5 191 191 A E H << S+ 0 0 131 -4,-1.1 -189,-0.4 -3,-0.6 -1,-0.2 0.824 123.0 28.5 -77.5 -32.4 78.3 46.8 40.7 192 192 A I H < S+ 0 0 17 -4,-1.8 2,-0.3 -3,-0.2 -2,-0.2 0.706 115.5 50.6-104.2 -21.3 76.9 46.3 37.2 193 193 A d < - 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0 0 2 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.340 56.3-108.9 -79.9 8.7 62.5 36.2 42.5 236 236 A D - 0 0 5 -35,-0.1 29,-0.2 -34,-0.0 -35,-0.1 -0.202 55.5 -16.4 90.2 179.3 60.4 37.0 39.3 237 237 A M - 0 0 2 1,-0.1 2,-0.4 -3,-0.1 29,-0.2 -0.061 57.3-114.0 -59.1 149.8 57.0 38.3 38.5 238 238 A L B -h 266 0A 2 27,-2.2 29,-1.7 1,-0.1 -1,-0.1 -0.674 23.5-168.7 -80.4 133.8 53.9 38.6 40.8 239 239 A I > + 0 0 0 -2,-0.4 3,-1.6 27,-0.1 6,-0.3 0.136 37.6 135.5-111.8 18.1 51.2 36.2 39.4 240 240 A I T 3 + 0 0 1 1,-0.3 27,-0.2 10,-0.1 3,-0.1 -0.482 67.2 34.6 -65.9 131.6 48.4 37.6 41.6 241 241 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.3 -2,-0.2 28,-0.3 0.371 102.2 98.9 101.9 -2.5 45.3 38.0 39.5 242 242 A N S < S- 0 0 27 -3,-1.6 -1,-0.2 26,-0.1 26,-0.1 0.033 85.1 -80.4-100.6-150.2 46.0 35.0 37.3 243 243 A F S S+ 0 0 156 1,-0.1 -3,-0.1 -3,-0.1 -38,-0.0 0.769 107.4 48.1 -89.8 -29.9 44.8 31.4 37.1 244 244 A G S S+ 0 0 30 -5,-0.2 -38,-0.5 -39,-0.1 2,-0.4 0.682 88.0 80.8 -93.3 -17.7 46.7 29.3 39.6 245 245 A L - 0 0 22 -6,-0.3 -4,-0.2 -40,-0.1 2,-0.1 -0.735 61.8-143.3 -98.1 138.9 46.7 31.0 42.9 246 246 A S > - 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