==== 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 SUGAR BINDING PROTEIN 27-JAN-06 2FUT . COMPND 2 MOLECULE: HEPARINASE II PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PEDOBACTER HEPARINUS; . AUTHOR D.SHAYA,M.CYGLER . 1485 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 994 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 311 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 108 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 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 2 4 5 2 4 2 0 3 3 0 0 3 1 4 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 9 4 2 10 12 5 5 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 6 0 0 2 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 30 A D 0 0 141 0, 0.0 2,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 -11.7 1.1 169.2 58.3 2 31 A V - 0 0 17 245,-0.9 2,-0.3 14,-0.1 245,-0.0 -0.512 360.0-117.2 -77.7 154.1 4.6 168.7 59.8 3 32 A V - 0 0 98 11,-0.5 11,-3.1 -2,-0.2 2,-0.6 -0.754 16.0-145.1 -95.2 141.1 7.3 167.1 57.7 4 33 A W E -A 13 0A 102 -2,-0.3 2,-0.5 9,-0.3 7,-0.1 -0.921 19.3-179.5-105.9 109.7 8.9 163.8 58.7 5 34 A K E -A 12 0A 133 7,-1.9 7,-1.0 -2,-0.6 2,-0.2 -0.948 32.2-111.8-111.1 130.8 12.6 163.6 57.7 6 35 A D E -A 11 0A 106 -2,-0.5 2,-0.5 5,-0.2 5,-0.3 -0.385 29.6-172.4 -63.7 121.5 14.6 160.4 58.5 7 36 A V E > S-A 10 0A 46 3,-3.1 3,-1.6 -2,-0.2 -1,-0.0 -0.975 74.0 -21.1-114.8 114.6 17.2 160.7 61.2 8 37 A D T 3 S- 0 0 117 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.847 127.0 -49.4 60.7 43.8 19.4 157.5 61.6 9 38 A G T 3 S+ 0 0 71 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.228 122.2 105.9 82.1 -13.6 16.9 155.2 60.0 10 39 A V E < S-A 7 0A 41 -3,-1.6 -3,-3.1 -5,-0.1 -1,-0.2 -0.898 71.8-131.3-105.9 115.5 14.2 156.6 62.2 11 40 A S E -A 6 0A 47 -2,-0.6 -5,-0.2 -5,-0.3 -7,-0.0 -0.420 30.8-172.8 -57.5 128.8 11.6 158.9 60.7 12 41 A X E -A 5 0A 5 -7,-1.0 -7,-1.9 -2,-0.1 2,-0.2 -0.998 22.2-121.3-134.1 134.0 11.3 162.0 62.9 13 42 A P E -A 4 0A 0 0, 0.0 -9,-0.3 0, 0.0 235,-0.1 -0.510 24.0-136.2 -75.9 142.4 8.8 164.9 62.7 14 43 A I - 0 0 31 -11,-3.1 -11,-0.5 -2,-0.2 3,-0.1 -0.844 24.4-109.1 -98.6 129.9 10.2 168.4 62.2 15 44 A P - 0 0 0 0, 0.0 232,-0.1 0, 0.0 2,-0.1 -0.376 43.7-109.9 -53.8 130.6 8.8 171.3 64.3 16 45 A P - 0 0 14 0, 0.0 2,-2.6 0, 0.0 -14,-0.1 -0.350 24.3-110.1 -66.0 145.5 6.8 173.5 61.9 17 46 A K S S+ 0 0 155 -3,-0.1 2,-0.3 -2,-0.1 4,-0.0 -0.394 88.8 87.5 -73.9 65.3 8.2 177.0 61.0 18 47 A T S S- 0 0 51 -2,-2.6 0, 0.0 0, 0.0 0, 0.0 -0.985 70.9-101.1-159.9 152.0 5.4 178.7 63.0 19 48 A H S S+ 0 0 40 -2,-0.3 2,-0.1 1,-0.2 115,-0.1 -0.980 90.0 37.0-130.7 147.5 4.6 179.9 66.5 20 49 A P + 0 0 6 0, 0.0 6,-0.4 0, 0.0 -1,-0.2 0.592 67.0 138.4 -76.5 152.6 3.0 179.0 68.8 21 50 A R + 0 0 1 4,-0.2 2,-0.7 -2,-0.1 4,-0.1 0.336 41.1 99.5-136.2 -2.7 3.7 175.2 68.4 22 51 A L S S- 0 0 0 1,-0.2 221,-0.1 107,-0.1 220,-0.1 -0.831 107.7 -20.9 -94.8 114.9 4.2 174.2 72.0 23 52 A Y S S+ 0 0 0 -2,-0.7 2,-0.3 219,-0.3 -1,-0.2 0.188 139.5 18.1 75.5 -14.3 1.1 172.5 73.6 24 53 A L S S- 0 0 1 218,-0.1 2,-0.2 221,-0.1 221,-0.1 -0.956 70.4-131.7-168.7 165.7 -1.1 174.1 70.9 25 54 A R >> - 0 0 43 -2,-0.3 3,-1.1 -4,-0.1 4,-0.6 -0.604 45.3 -88.5-115.1-179.0 -1.0 175.8 67.5 26 55 A E G >4 S+ 0 0 82 -6,-0.4 3,-0.6 1,-0.2 -5,-0.1 0.789 120.4 66.7 -65.4 -25.6 -2.6 179.0 66.3 27 56 A Q G 34 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.739 103.1 44.6 -71.2 -22.4 -5.8 177.2 65.3 28 57 A Q G X> S+ 0 0 41 -3,-1.1 3,-0.7 1,-0.1 4,-0.5 0.582 90.5 86.1 -93.4 -9.9 -6.6 176.4 69.0 29 58 A V T X< S+ 0 0 11 -4,-0.6 3,-1.9 -3,-0.6 4,-0.4 0.925 85.7 54.5 -55.9 -48.5 -5.8 179.9 70.3 30 59 A P T >> S+ 0 0 87 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.819 101.8 60.1 -54.3 -31.2 -9.3 181.2 69.5 31 60 A D H <> S+ 0 0 70 -3,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.614 84.2 79.9 -73.7 -13.2 -10.8 178.4 71.6 32 61 A L H S+ 0 0 133 -3,-0.9 4,-1.4 -4,-0.4 -1,-0.2 0.869 108.6 49.4 -65.3 -41.0 -11.6 182.2 75.3 34 63 A N H < S+ 0 0 93 -4,-0.5 4,-0.3 2,-0.2 -2,-0.2 0.919 112.3 47.3 -62.3 -45.0 -14.3 179.5 75.2 35 64 A R H >< S+ 0 0 37 -4,-2.4 3,-1.2 1,-0.2 6,-0.2 0.872 106.3 59.5 -63.7 -38.8 -12.2 177.4 77.7 36 65 A X H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.3 41.9 -52.2 -42.9 -11.9 180.6 79.8 37 66 A N T 3< S+ 0 0 102 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.327 84.4 119.0 -93.2 4.9 -15.7 180.8 80.0 38 67 A D X> - 0 0 24 -3,-1.2 4,-0.7 -4,-0.3 3,-0.5 -0.639 63.4-140.9 -72.6 119.1 -16.2 177.0 80.6 39 68 A P T 34 S+ 0 0 118 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.617 101.2 49.5 -57.5 -14.6 -17.9 176.6 84.0 40 69 A K T 3> S+ 0 0 106 2,-0.1 4,-0.5 1,-0.1 3,-0.5 0.818 112.2 44.0 -91.9 -36.6 -15.7 173.5 84.7 41 70 A L H <> S+ 0 0 0 -3,-0.5 4,-1.2 -6,-0.2 -1,-0.1 0.331 96.4 76.0 -92.1 4.6 -12.3 175.0 83.7 42 71 A K H X S+ 0 0 85 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.695 90.9 56.0 -89.4 -21.7 -12.9 178.3 85.6 43 72 A K H > S+ 0 0 126 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.892 111.2 43.6 -69.6 -43.0 -12.2 176.5 88.9 44 73 A V H X S+ 0 0 3 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.839 113.2 52.4 -70.6 -32.7 -8.8 175.4 87.5 45 74 A W H X S+ 0 0 65 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.903 109.4 48.5 -67.7 -40.5 -8.3 178.9 86.1 46 75 A A H X S+ 0 0 45 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.848 107.0 58.3 -62.4 -36.1 -9.1 180.4 89.6 47 76 A D H X S+ 0 0 32 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.903 104.5 49.6 -58.9 -43.5 -6.6 177.9 91.0 48 77 A X H X S+ 0 0 1 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.831 107.6 54.1 -67.8 -34.2 -3.8 179.2 88.8 49 78 A I H >< S+ 0 0 68 -4,-1.4 3,-1.3 1,-0.2 4,-0.4 0.946 109.2 48.5 -60.5 -50.2 -4.7 182.8 89.9 50 79 A K H >< S+ 0 0 176 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.859 105.4 59.7 -54.7 -39.2 -4.3 181.6 93.6 51 80 A X H 3< S+ 0 0 20 -4,-2.0 23,-1.9 1,-0.2 26,-0.2 0.618 85.2 78.3 -68.2 -15.4 -0.9 180.0 92.6 52 81 A Q T << S+ 0 0 52 -3,-1.3 -1,-0.2 -4,-0.5 26,-0.2 0.791 74.9 94.5 -64.0 -28.8 0.5 183.3 91.5 53 82 A E S < S- 0 0 140 -3,-1.2 21,-0.9 -4,-0.4 3,-0.1 -0.422 81.8-115.3 -66.7 138.5 1.1 184.2 95.2 54 83 A D - 0 0 87 19,-0.2 2,-0.2 1,-0.2 20,-0.1 -0.176 38.9 -81.3 -65.8 160.9 4.5 183.4 96.6 55 84 A W - 0 0 49 18,-0.1 -1,-0.2 1,-0.1 5,-0.1 -0.497 48.4-113.6 -57.7 127.4 5.3 180.9 99.3 56 85 A K >> - 0 0 131 -2,-0.2 3,-1.5 1,-0.1 4,-0.7 -0.541 27.7-122.7 -60.4 130.5 4.7 182.3 102.7 57 86 A P T 34 S+ 0 0 97 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.741 111.1 56.5 -54.3 -28.8 8.2 182.5 104.3 58 87 A A T 34 S+ 0 0 93 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.826 104.2 53.2 -67.3 -34.7 7.0 180.3 107.2 59 88 A D T <4 S+ 0 0 102 -3,-1.5 -1,-0.2 2,-0.0 -3,-0.0 0.588 77.5 113.3 -82.3 -13.8 6.0 177.5 104.8 60 89 A I < - 0 0 54 -4,-0.7 4,-0.1 -3,-0.3 8,-0.0 -0.478 57.3-151.8 -67.3 118.6 9.3 177.2 102.9 61 90 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.693 11.5-148.6 -67.2 -23.6 10.8 173.8 103.8 62 91 A E S S+ 0 0 138 1,-0.1 2,-0.4 3,-0.1 -2,-0.1 0.359 89.6 75.1 58.4 -6.4 14.5 174.8 103.2 63 92 A V S S- 0 0 119 2,-0.0 2,-1.1 52,-0.0 5,-0.1 -0.914 82.0-165.0-111.9 100.4 15.2 171.3 102.1 64 93 A K + 0 0 73 -2,-0.4 48,-0.0 -3,-0.1 -4,-0.0 -0.717 14.9 169.9 -95.4 91.8 13.5 171.9 98.8 65 94 A D >> - 0 0 47 -2,-1.1 3,-0.9 49,-0.1 4,-0.9 -0.082 57.0 -75.0 -83.6-169.4 12.8 168.6 97.0 66 95 A F H 3> S+ 0 0 29 49,-2.0 4,-2.9 1,-0.2 3,-0.3 0.808 128.1 64.3 -58.1 -31.6 10.7 168.0 93.9 67 96 A R H 3> S+ 0 0 162 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.816 95.7 57.1 -64.6 -33.8 7.5 168.6 95.9 68 97 A F H <4 S+ 0 0 29 -3,-0.9 -1,-0.2 2,-0.2 5,-0.2 0.881 115.0 38.0 -63.0 -40.0 8.4 172.2 96.7 69 98 A Y H < S+ 0 0 48 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.880 113.0 53.8 -79.1 -41.8 8.6 172.9 92.9 70 99 A F H < S+ 0 0 12 -4,-2.9 2,-1.7 1,-0.3 248,-1.6 0.795 98.4 65.6 -66.3 -30.0 5.6 170.7 91.8 71 100 A N S < S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.486 96.8-161.9 -82.0 62.1 3.5 172.6 94.3 72 101 A Q + 0 0 6 -2,-1.7 2,-0.3 -3,-0.1 -3,-0.1 -0.286 21.4 158.5 -65.7 121.4 4.3 175.5 92.0 73 102 A K + 0 0 56 -5,-0.2 3,-0.5 -2,-0.1 -21,-0.2 -0.913 36.5 7.0-132.8 159.0 3.8 179.0 93.4 74 103 A G S >> S+ 0 0 3 -23,-1.9 4,-2.1 -21,-0.9 3,-0.5 -0.427 108.4 11.2 86.3-140.8 4.9 182.5 92.6 75 104 A L H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 122.5 53.6 -54.3 -46.2 7.0 184.0 89.8 76 105 A T H 3> S+ 0 0 27 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.887 111.3 46.9 -61.2 -39.7 6.9 181.0 87.4 77 106 A V H <> S+ 0 0 0 -3,-0.5 4,-2.3 -26,-0.2 -1,-0.2 0.906 110.6 54.4 -63.1 -43.2 3.1 180.8 87.6 78 107 A R H X S+ 0 0 83 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.936 109.4 44.9 -59.7 -48.4 2.9 184.6 87.0 79 108 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.820 110.9 54.2 -69.1 -31.6 5.0 184.5 83.8 80 109 A E H X S+ 0 0 4 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.908 111.3 45.3 -65.0 -42.5 3.1 181.5 82.4 81 110 A L H X S+ 0 0 15 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.810 111.7 52.3 -71.5 -29.9 -0.2 183.4 82.9 82 111 A X H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 110.9 47.7 -68.1 -43.0 1.4 186.5 81.4 83 112 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 111.3 50.8 -61.5 -45.2 2.4 184.3 78.4 84 113 A L H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.853 109.3 51.3 -60.3 -37.3 -1.1 182.9 78.3 85 114 A N H X S+ 0 0 70 -4,-1.8 4,-1.9 2,-0.2 5,-0.3 0.888 107.8 52.0 -69.6 -37.3 -2.5 186.4 78.3 86 115 A Y H X S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.935 107.2 53.8 -63.0 -46.7 -0.2 187.4 75.4 87 116 A L H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 115.9 38.2 -45.7 -50.6 -1.5 184.4 73.5 88 117 A X H < S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.723 131.1 25.6 -81.3 -23.5 -5.1 185.4 73.9 89 118 A T H < S- 0 0 75 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.648 79.5-147.1-114.9 -25.2 -4.7 189.2 73.6 90 119 A K < + 0 0 84 -4,-3.1 -4,-0.1 -5,-0.3 -3,-0.1 0.644 37.3 159.7 58.4 19.4 -1.6 189.8 71.4 91 120 A D >> - 0 0 61 -6,-0.3 3,-1.9 1,-0.2 4,-1.3 -0.639 37.5-143.8 -71.5 107.2 -0.9 193.0 73.4 92 121 A P H 3> S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.801 93.4 56.7 -45.3 -45.6 2.9 193.4 72.6 93 122 A K H 3> S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.737 102.8 55.8 -65.3 -24.3 3.9 194.8 76.1 94 123 A V H <> S+ 0 0 16 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.920 107.7 48.4 -69.2 -47.5 2.4 191.7 77.8 95 124 A G H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.914 112.8 50.7 -54.2 -43.4 4.6 189.5 75.6 96 125 A R H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.918 108.4 49.6 -62.4 -45.6 7.4 191.9 76.6 97 126 A E H X S+ 0 0 103 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.918 109.1 53.1 -62.0 -42.7 6.7 191.6 80.4 98 127 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.939 113.0 43.9 -56.2 -49.3 6.6 187.8 80.1 99 128 A I H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.8 0.961 117.9 42.5 -60.4 -53.7 10.1 187.8 78.5 100 129 A T H 3< S+ 0 0 70 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.711 108.8 58.8 -72.4 -22.2 11.7 190.3 80.8 101 130 A S H 3< S+ 0 0 50 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.2 0.745 119.6 28.0 -75.5 -24.1 10.2 188.9 84.0 102 131 A I H S+ 0 0 95 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.886 115.2 47.4 -70.0 -42.3 17.3 187.0 84.3 105 134 A T H > S+ 0 0 50 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.861 108.7 56.2 -67.0 -35.9 16.1 184.4 86.8 106 135 A L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.820 110.9 44.6 -64.0 -34.6 16.4 181.7 84.0 107 136 A E H < S+ 0 0 58 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.793 123.3 34.8 -74.8 -32.6 20.1 182.6 83.6 108 137 A T H < S+ 0 0 95 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.629 80.4 127.6-105.1 -17.5 20.9 182.8 87.3 109 138 A A < - 0 0 18 -4,-2.4 2,-0.3 -5,-0.1 -3,-0.0 -0.102 36.4-165.8 -54.8 136.0 18.8 180.1 89.0 110 139 A T - 0 0 118 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.879 5.9-153.4-119.2 153.9 20.6 177.6 91.2 111 140 A F - 0 0 29 -2,-0.3 3,-0.1 3,-0.0 6,-0.0 -0.937 10.7-139.8-136.2 110.4 19.3 174.3 92.6 112 141 A K - 0 0 179 -2,-0.4 2,-0.1 1,-0.1 -48,-0.0 -0.471 40.2 -97.0 -63.4 132.4 20.6 172.7 95.9 113 142 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.336 68.9 137.5 -52.8 122.8 21.0 168.9 95.6 114 143 A A > - 0 0 32 -2,-0.1 3,-1.8 -3,-0.1 4,-0.2 -0.932 58.1 -37.6-158.1 176.0 17.8 167.3 97.0 115 144 A G T 3 S- 0 0 41 1,-0.3 -49,-2.0 -2,-0.3 -48,-0.2 -0.262 122.2 -24.1 -50.0 109.1 15.2 164.5 96.4 116 145 A D T > S+ 0 0 46 -2,-0.2 3,-2.2 -51,-0.2 4,-0.5 0.816 79.6 168.0 54.0 42.7 14.6 164.4 92.7 117 146 A I T X> + 0 0 23 -3,-1.8 4,-1.9 1,-0.3 3,-0.7 0.761 62.9 76.8 -58.8 -29.4 15.7 167.9 92.1 118 147 A S H 3> S+ 0 0 4 1,-0.2 4,-2.6 -4,-0.2 -1,-0.3 0.734 87.6 62.8 -51.0 -26.9 15.8 167.4 88.3 119 148 A R H <> S+ 0 0 26 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.936 104.6 43.7 -68.5 -46.9 12.0 167.7 88.4 120 149 A G H <> S+ 0 0 1 -3,-0.7 4,-2.0 -4,-0.5 -2,-0.2 0.876 114.6 50.6 -61.5 -41.3 12.1 171.3 89.7 121 150 A I H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.946 111.1 48.2 -61.5 -52.2 14.9 172.1 87.2 122 151 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.858 110.4 51.5 -54.0 -41.7 12.8 170.6 84.3 123 152 A L H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.889 107.8 51.7 -66.3 -41.4 9.7 172.6 85.4 124 153 A F H X S+ 0 0 17 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 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V H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.864 103.2 54.9 -63.2 -39.2 0.1 85.5 51.2 871 156 B T H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.907 110.9 47.3 -58.0 -41.7 -1.6 82.2 50.6 872 157 B G H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.910 109.3 51.8 -64.6 -46.2 1.8 80.6 51.2 873 158 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.894 107.4 54.0 -59.6 -41.6 2.4 82.6 54.3 874 159 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.948 113.1 42.5 -55.6 -52.9 -1.0 81.5 55.7 875 160 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.930 114.6 50.9 -58.3 -49.5 -0.0 77.8 55.2 876 161 B Y H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 119.4 33.6 -60.1 -46.1 3.5 78.2 56.5 877 162 B D H >< S+ 0 0 1 -4,-2.6 3,-1.1 -5,-0.2 4,-0.2 0.923 122.3 43.6 -78.2 -47.6 2.6 80.0 59.7 878 163 B W H 3< S+ 0 0 6 -4,-2.4 3,-0.2 -5,-0.3 -3,-0.2 0.848 123.6 37.2 -70.0 -35.9 -0.7 78.3 60.6 879 164 B C T >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.4 -1,-0.3 -0.025 82.6 126.3-102.2 30.3 0.5 74.8 59.7 880 165 B Y G X + 0 0 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4,-2.3 2,-0.2 -2,-0.2 0.928 110.7 47.1 -65.7 -47.0 11.6 75.0 49.9 891 176 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.951 111.3 51.2 -56.4 -55.6 8.9 77.5 51.0 892 177 B V H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 111.5 47.7 -48.5 -49.3 11.5 80.2 51.9 893 178 B K H X S+ 0 0 113 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.922 111.0 50.5 -61.9 -46.3 13.2 79.8 48.5 894 179 B A H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.866 109.0 53.1 -58.1 -40.4 9.8 80.0 46.7 895 180 B F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.901 109.4 47.4 -61.8 -44.3 9.0 83.2 48.7 896 181 B V H X S+ 0 0 19 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.862 111.4 51.7 -66.0 -38.6 12.3 84.9 47.6 897 182 B R H < S+ 0 0 84 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.893 116.1 40.3 -63.8 -42.2 11.7 83.9 44.0 898 183 B L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.849 110.1 59.6 -73.6 -35.8 8.2 85.4 44.2 899 184 B A H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.754 98.3 59.2 -65.0 -28.1 9.4 88.4 46.2 900 185 B K T 3< S+ 0 0 120 -4,-1.3 6,-0.3 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