==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-10 3LHI . COMPND 2 MOLECULE: PUTATIVE 6-PHOSPHOGLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 X 0 0 94 0, 0.0 224,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 44.9 50.6 0.9 11.3 2 2 A F E -a 225 0A 71 222,-0.2 2,-0.4 217,-0.1 224,-0.2 -0.945 360.0-127.9-153.0 163.3 51.9 3.5 8.8 3 3 A V E -a 226 0A 56 222,-2.3 224,-3.1 -2,-0.3 2,-0.5 -0.970 24.3-143.8-112.7 128.6 54.9 3.7 6.4 4 4 A W E -a 227 0A 74 -2,-0.4 2,-0.5 222,-0.2 224,-0.2 -0.814 17.5-179.5-101.9 122.5 57.1 6.9 6.6 5 5 A H E -a 228 0A 60 222,-2.4 224,-3.2 -2,-0.5 2,-0.4 -0.985 8.5-171.9-118.6 119.9 58.6 8.5 3.5 6 6 A E E -a 229 0A 100 -2,-0.5 2,-0.3 222,-0.2 224,-0.2 -0.901 4.7-179.2-115.4 138.8 60.7 11.7 4.1 7 7 A Y E -a 230 0A 34 222,-2.0 224,-1.2 -2,-0.4 3,-0.1 -0.865 26.2-148.0-127.9 158.0 62.2 14.0 1.4 8 8 A E S S+ 0 0 74 -2,-0.3 2,-0.4 222,-0.2 -1,-0.1 0.675 88.1 57.5 -87.8 -25.8 64.4 17.1 1.7 9 9 A N S > S- 0 0 87 1,-0.1 4,-2.1 221,-0.1 5,-0.2 -0.889 71.7-146.9-120.9 123.2 62.8 18.7 -1.4 10 10 A A H > S+ 0 0 46 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.835 100.9 56.5 -52.8 -42.1 59.1 19.4 -1.8 11 11 A A H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 108.0 46.3 -61.5 -43.1 59.3 18.8 -5.6 12 12 A E H > S+ 0 0 109 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.913 112.0 50.9 -67.7 -41.3 60.7 15.3 -5.0 13 13 A A H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.924 111.7 48.7 -59.7 -43.2 58.0 14.5 -2.3 14 14 A A H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.911 113.9 44.9 -64.4 -45.7 55.3 15.7 -4.7 15 15 A Q H X S+ 0 0 80 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 113.1 50.9 -64.3 -41.5 56.6 13.6 -7.6 16 16 A S H X S+ 0 0 30 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.856 111.1 47.9 -68.2 -34.9 57.2 10.5 -5.4 17 17 A L H X S+ 0 0 5 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.918 111.3 51.3 -68.2 -45.3 53.6 10.8 -4.1 18 18 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.906 109.8 50.5 -56.9 -41.7 52.3 11.1 -7.6 19 19 A D H X S+ 0 0 56 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.934 113.5 44.3 -63.0 -46.1 54.2 8.0 -8.6 20 20 A A H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.892 114.7 48.3 -67.7 -41.4 52.8 6.0 -5.7 21 21 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.914 110.3 51.4 -66.8 -41.6 49.3 7.2 -6.2 22 22 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.919 110.0 50.0 -60.6 -40.8 49.4 6.5 -10.0 23 23 A D H X S+ 0 0 117 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.908 111.2 48.8 -65.1 -38.9 50.6 3.0 -9.2 24 24 A A H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 112.0 48.8 -67.8 -42.0 47.7 2.4 -6.7 25 25 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.918 108.6 54.3 -60.0 -42.5 45.2 3.7 -9.2 26 26 A Q H X S+ 0 0 69 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.889 104.9 54.1 -59.9 -40.5 46.7 1.4 -11.9 27 27 A G H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 109.9 46.7 -62.5 -41.3 46.2 -1.5 -9.5 28 28 A A H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 6,-0.6 0.930 112.5 49.7 -63.8 -44.2 42.5 -0.6 -9.1 29 29 A L H X S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.912 112.6 47.9 -61.2 -41.8 42.1 -0.2 -12.9 30 30 A D H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.2 44.5 -63.3 -42.9 43.8 -3.6 -13.5 31 31 A E H < S+ 0 0 171 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.866 136.3 2.5 -72.2 -41.7 41.6 -5.3 -10.8 32 32 A K H < S- 0 0 125 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.446 90.0-109.1-140.6 8.6 38.2 -3.8 -11.8 33 33 A G S < S+ 0 0 47 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.523 93.4 50.7 80.5 5.7 38.3 -1.6 -14.8 34 34 A G - 0 0 21 -6,-0.6 2,-0.3 -9,-0.1 -2,-0.3 -0.969 59.7-161.3-166.7 159.7 37.7 1.6 -12.8 35 35 A A E -b 62 0A 4 26,-1.8 28,-2.9 -2,-0.3 2,-0.4 -0.987 10.7-145.8-148.7 152.6 39.0 3.5 -9.9 36 36 A V E -b 63 0A 9 -2,-0.3 92,-2.7 26,-0.2 93,-2.0 -0.996 15.0-167.9-122.9 125.4 37.9 6.3 -7.5 37 37 A L E -bc 64 129A 0 26,-2.9 28,-2.5 -2,-0.4 2,-0.5 -0.951 2.1-164.9-111.3 129.7 40.4 8.8 -6.2 38 38 A A E -bc 65 130A 0 91,-2.7 93,-2.5 -2,-0.4 2,-0.3 -0.965 13.0-171.7-113.6 131.1 39.5 11.2 -3.3 39 39 A V E -b 66 0A 0 26,-2.3 28,-2.6 -2,-0.5 29,-0.5 -0.846 16.2-130.0-120.0 160.0 41.9 14.1 -2.7 40 40 A S - 0 0 11 91,-0.4 92,-0.1 -2,-0.3 29,-0.1 -0.695 22.4-132.4-103.3 161.0 42.3 16.8 -0.0 41 41 A G + 0 0 16 -2,-0.2 3,-0.2 27,-0.1 -1,-0.1 0.157 53.3 83.9-100.6-153.2 42.6 20.6 -0.5 42 42 A G S S- 0 0 33 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 -0.229 88.6 -69.1 79.5-175.8 44.8 23.3 0.7 43 43 A R S > S+ 0 0 168 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.780 113.4 75.4 -82.9 -30.6 48.2 24.3 -0.8 44 44 A S T 3 S+ 0 0 52 1,-0.3 4,-0.3 -3,-0.2 3,-0.3 0.767 96.0 46.6 -63.1 -31.0 50.3 21.4 0.2 45 45 A P T 3> S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.485 84.4 94.9 -88.8 0.1 49.0 18.9 -2.4 46 46 A I H <> S+ 0 0 17 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.895 84.1 47.7 -58.9 -46.9 49.1 21.2 -5.4 47 47 A A H > S+ 0 0 56 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.918 113.8 50.7 -62.1 -37.9 52.6 20.2 -6.7 48 48 A F H > S+ 0 0 4 -4,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.928 108.7 51.3 -60.7 -47.4 51.4 16.5 -6.3 49 49 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 109.8 49.9 -56.3 -47.4 48.2 17.3 -8.3 50 50 A N H X S+ 0 0 62 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.941 113.5 44.7 -59.9 -47.2 50.3 18.8 -11.1 51 51 A A H >< S+ 0 0 9 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.905 114.3 49.3 -61.4 -46.0 52.6 15.8 -11.3 52 52 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.893 101.3 64.2 -62.7 -36.7 49.7 13.3 -11.1 53 53 A S H 3< S+ 0 0 0 -4,-2.5 40,-1.5 1,-0.3 39,-1.1 0.709 99.9 54.1 -60.7 -23.7 47.8 15.2 -13.8 54 54 A Q T << S+ 0 0 113 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.515 80.3 114.8 -86.6 -10.9 50.6 14.3 -16.3 55 55 A K S < S- 0 0 55 -3,-1.9 2,-1.6 -4,-0.4 -3,-0.0 -0.416 70.8-128.8 -67.8 136.0 50.5 10.5 -15.6 56 56 A D + 0 0 137 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.393 56.8 142.1 -87.2 61.8 49.3 8.5 -18.6 57 57 A L - 0 0 22 -2,-1.6 2,-2.5 1,-0.1 3,-0.2 -0.524 69.9 -96.0 -90.9 165.1 46.6 6.6 -16.8 58 58 A D > + 0 0 62 1,-0.2 3,-2.3 -2,-0.2 -2,-0.1 -0.387 55.1 170.1 -80.1 68.4 43.2 5.6 -18.2 59 59 A W G > + 0 0 6 -2,-2.5 3,-2.3 1,-0.3 38,-0.5 0.769 62.9 71.5 -61.6 -26.4 41.7 8.6 -16.6 60 60 A K G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.745 101.5 48.7 -60.9 -20.9 38.3 8.3 -18.4 61 61 A N G < S+ 0 0 70 -3,-2.3 -26,-1.8 35,-0.1 2,-0.5 0.123 97.7 88.6-101.0 16.7 37.8 5.3 -16.1 62 62 A V E < -b 35 0A 0 -3,-2.3 35,-2.8 -28,-0.2 2,-0.4 -0.966 62.8-153.5-117.1 127.1 38.8 7.2 -13.0 63 63 A G E -bd 36 97A 9 -28,-2.9 -26,-2.9 -2,-0.5 2,-0.4 -0.823 12.4-159.1 -91.4 138.6 36.4 9.1 -10.8 64 64 A I E +bd 37 98A 0 33,-2.7 35,-2.8 -2,-0.4 2,-0.2 -0.976 22.4 148.3-120.8 137.3 37.9 12.0 -8.8 65 65 A T E -b 38 0A 5 -28,-2.5 -26,-2.3 -2,-0.4 2,-0.3 -0.798 39.4 -87.3-148.3-172.5 36.3 13.5 -5.8 66 66 A L E -b 39 0A 2 33,-0.4 -26,-0.2 -28,-0.3 3,-0.1 -0.844 7.4-145.6-109.6 147.8 37.1 15.2 -2.5 67 67 A A S S- 0 0 0 -28,-2.6 110,-2.8 -2,-0.3 75,-0.3 0.734 93.0 -6.6 -73.4 -26.1 37.8 14.0 1.0 68 68 A D E -G 176 0B 11 -29,-0.5 2,-0.3 108,-0.2 -1,-0.3 -0.964 66.8-158.0-165.9 156.0 36.1 17.1 2.3 69 69 A E E -G 175 0B 0 106,-2.5 106,-2.4 -2,-0.3 2,-0.4 -0.995 22.2-119.9-145.7 147.0 34.6 20.4 1.0 70 70 A R E -G 174 0B 56 -2,-0.3 2,-2.0 8,-0.3 104,-0.2 -0.727 34.7-120.6 -80.3 134.0 33.8 23.8 2.2 71 71 A I S S+ 0 0 20 102,-3.3 102,-0.3 -2,-0.4 40,-0.1 -0.601 75.4 110.9 -84.4 81.9 30.1 24.5 1.8 72 72 A V S S- 0 0 5 -2,-2.0 34,-0.1 100,-0.1 -2,-0.0 -0.920 80.7 -72.9-143.4 158.8 30.6 27.5 -0.5 73 73 A P > - 0 0 5 0, 0.0 3,-2.2 0, 0.0 6,-0.1 -0.239 45.8-114.4 -57.8 154.3 29.8 28.0 -4.2 74 74 A T T 3 S+ 0 0 15 29,-0.3 30,-0.1 1,-0.3 8,-0.1 0.644 116.6 54.2 -71.5 -10.1 32.1 26.1 -6.5 75 75 A N T 3 S+ 0 0 150 6,-0.1 -1,-0.3 7,-0.1 2,-0.2 0.300 85.7 114.7 -98.1 8.7 33.5 29.4 -7.9 76 76 A H S X S- 0 0 55 -3,-2.2 3,-2.0 1,-0.1 6,-0.2 -0.475 77.9-119.2 -77.8 148.4 34.3 30.7 -4.4 77 77 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.765 113.7 49.4 -57.5 -29.0 38.0 31.3 -3.5 78 78 A D T 3 S+ 0 0 60 -5,-0.1 2,-0.4 4,-0.0 -8,-0.3 0.256 81.8 121.0 -96.6 11.2 37.7 28.7 -0.6 79 79 A S <> - 0 0 4 -3,-2.0 4,-1.8 1,-0.2 -8,-0.1 -0.619 50.4-158.9 -77.0 126.1 36.2 25.9 -2.8 80 80 A N H > S+ 0 0 6 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.812 96.1 61.1 -70.1 -29.2 38.2 22.8 -2.9 81 81 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 105.6 46.2 -58.4 -46.5 36.3 21.9 -6.1 82 82 A G H > S+ 0 0 24 2,-0.2 4,-2.2 -6,-0.2 -2,-0.2 0.908 111.3 53.0 -62.2 -40.6 37.7 25.1 -7.6 83 83 A L H X S+ 0 0 21 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.959 111.0 45.1 -53.7 -58.3 41.2 24.1 -6.3 84 84 A V H X>S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-2.3 0.847 111.6 52.6 -61.6 -38.2 41.0 20.7 -7.9 85 85 A R H <5S+ 0 0 90 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.903 112.5 46.3 -63.2 -38.5 39.7 22.1 -11.2 86 86 A E H <5S+ 0 0 123 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 129.4 18.6 -70.5 -44.0 42.6 24.6 -11.3 87 87 A Y H <5S+ 0 0 45 -4,-2.2 -34,-0.2 -5,-0.1 -3,-0.2 0.662 131.7 27.2-110.4 -22.0 45.4 22.2 -10.5 88 88 A L T <5S+ 0 0 0 -4,-2.5 2,-2.2 -5,-0.3 -3,-0.2 0.779 100.9 69.8-110.0 -43.9 44.4 18.6 -11.0 89 89 A L S S+ 0 0 54 -2,-2.2 3,-1.1 -3,-0.1 4,-0.3 -0.911 74.7 23.7-156.5 171.4 44.1 19.3 -16.5 91 91 A N G > S- 0 0 94 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 -0.359 132.3 -19.2 54.6-142.7 46.6 17.6 -18.7 92 92 A K G > S+ 0 0 109 -39,-1.1 3,-1.4 1,-0.3 -1,-0.3 0.847 138.9 61.9 -65.6 -31.9 45.8 13.8 -19.0 93 93 A A G X S+ 0 0 0 -40,-1.5 3,-2.0 -3,-1.1 -1,-0.3 0.579 77.4 86.8 -73.9 -9.0 43.7 13.9 -15.8 94 94 A A G < S+ 0 0 60 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 0.799 82.2 63.7 -58.3 -22.1 41.2 16.4 -17.4 95 95 A A G < S+ 0 0 58 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.487 80.4 113.9 -79.1 -8.9 39.5 13.3 -18.8 96 96 A A S < S- 0 0 16 -3,-2.0 2,-0.6 1,-0.1 -33,-0.2 -0.265 74.5-112.3 -59.5 156.4 38.6 12.1 -15.3 97 97 A V E -d 63 0A 81 -35,-2.8 -33,-2.7 -38,-0.5 2,-0.4 -0.793 29.2-136.9 -92.1 122.0 35.0 11.9 -14.2 98 98 A W E -d 64 0A 44 -2,-0.6 -33,-0.2 -35,-0.2 -35,-0.0 -0.642 10.6-160.3 -81.1 126.2 34.2 14.5 -11.4 99 99 A I - 0 0 13 -35,-2.8 -33,-0.4 -2,-0.4 26,-0.1 -0.942 26.5-134.5-107.0 108.4 32.1 13.2 -8.6 100 100 A P + 0 0 20 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.332 32.5 179.8 -75.9 152.5 30.7 16.4 -6.9 101 101 A X S S+ 0 0 4 1,-0.4 2,-0.4 -33,-0.1 19,-0.3 0.642 83.8 28.9-108.8 -36.0 30.4 17.4 -3.3 102 102 A V S S- 0 0 0 17,-0.1 -1,-0.4 18,-0.1 2,-0.3 -0.989 92.7-111.9-125.7 137.0 28.7 20.8 -3.9 103 103 A E > - 0 0 79 -2,-0.4 3,-1.1 -3,-0.1 -29,-0.3 -0.520 30.7-117.8 -73.2 132.5 26.5 21.4 -6.9 104 104 A D T 3 S+ 0 0 79 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.351 94.4 30.5 -62.8 145.8 27.7 23.8 -9.5 105 105 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -2,-0.0 -1,-0.2 0.344 85.5 123.4 88.3 -5.3 25.6 27.0 -10.1 106 106 A K < - 0 0 71 -3,-1.1 -1,-0.3 -34,-0.1 -32,-0.3 -0.767 49.5-147.8 -91.2 131.4 24.3 27.3 -6.6 107 107 A T > - 0 0 69 -2,-0.4 3,-1.9 -34,-0.1 4,-0.3 -0.368 35.2 -89.0 -91.9 172.7 25.0 30.5 -4.8 108 108 A E G > S+ 0 0 114 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.851 126.1 51.3 -52.9 -43.1 25.6 30.9 -0.9 109 109 A T G 3 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.612 107.6 55.1 -74.5 -7.6 21.9 31.4 -0.1 110 110 A E G < S+ 0 0 96 -3,-1.9 2,-0.7 1,-0.0 -1,-0.2 0.394 89.5 87.1 -96.2 -0.5 21.0 28.2 -2.0 111 111 A L < + 0 0 19 -3,-1.3 3,-0.1 -4,-0.3 -1,-0.0 -0.899 50.4 172.3-111.0 105.2 23.5 26.0 -0.1 112 112 A H >> - 0 0 114 -2,-0.7 4,-2.5 1,-0.1 3,-0.6 -0.991 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110.3 48.2 -62.3 -40.6 54.4 12.4 16.1 203 203 A Q H >< S+ 0 0 76 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.981 112.4 48.7 -56.8 -52.6 51.9 13.2 18.9 204 204 A A H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.839 104.3 60.3 -58.9 -34.0 49.1 11.8 16.9 205 205 A A H 3< S+ 0 0 31 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.705 87.4 76.8 -64.7 -22.4 51.1 8.7 16.3 206 206 A Q T << S- 0 0 145 -3,-1.9 2,-0.2 -4,-0.8 -1,-0.2 0.667 113.8 -66.2 -60.4 -27.8 51.4 8.0 20.1 207 207 A G S < S- 0 0 24 -3,-1.1 2,-0.2 -4,-0.4 -1,-0.2 -0.829 73.0 -37.0 154.4 175.0 47.8 6.7 20.2 208 208 A E + 0 0 128 -2,-0.2 2,-0.3 11,-0.1 8,-0.1 -0.396 57.5 153.5 -65.0 127.5 44.1 7.5 19.8 209 209 A N > - 0 0 72 3,-0.4 3,-2.2 -2,-0.2 6,-0.3 -0.880 38.6-148.1-153.2 117.9 43.2 10.9 21.0 210 210 A R T 3 S+ 0 0 108 -2,-0.3 4,-0.1 1,-0.3 -2,-0.0 0.670 95.4 75.6 -65.3 -13.0 40.2 12.9 19.6 211 211 A E T 3 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.1 -65,-0.1 0.821 106.2 35.2 -62.0 -29.0 42.2 16.1 20.3 212 212 A Y S X S- 0 0 65 -3,-2.2 3,-2.6 1,-0.1 -3,-0.4 -0.839 81.1-167.5-123.8 85.8 44.2 15.1 17.2 213 213 A P T >> S+ 0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.767 80.4 67.8 -56.8 -28.8 41.7 13.5 14.9 214 214 A I H >> S+ 0 0 0 -76,-3.0 4,-2.5 1,-0.3 3,-1.3 0.802 87.7 71.2 -57.1 -25.8 44.2 12.0 12.5 215 215 A S H <> S+ 0 0 0 -3,-2.6 4,-1.6 -6,-0.3 -1,-0.3 0.763 89.8 59.5 -58.7 -29.5 45.2 9.8 15.4 216 216 A L H <4 S+ 0 0 17 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.697 109.9 42.2 -74.0 -22.7 42.0 7.9 14.9 217 217 A V H X< S+ 0 0 2 -3,-1.3 3,-1.3 -4,-0.5 -2,-0.2 0.876 113.1 51.0 -82.5 -48.4 43.0 7.1 11.3 218 218 A L H 3< S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.3 7,-0.2 0.838 118.4 39.4 -58.8 -34.1 46.6 6.2 12.2 219 219 A N T 3< S+ 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.333 87.8 120.1-101.2 6.4 45.5 3.9 15.0 220 220 A H S X S- 0 0 54 -3,-1.3 3,-1.8 1,-0.1 -3,-0.1 -0.502 71.5-107.2 -78.8 137.4 42.5 2.3 13.2 221 221 A Q T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.358 104.2 17.9 -58.0 138.2 42.5 -1.5 12.7 222 222 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.456 97.7 114.8 82.0 -0.0 43.0 -2.4 9.1 223 223 A V < + 0 0 10 -3,-1.8 2,-0.4 -6,-0.1 -1,-0.2 -0.920 36.2 178.2-110.4 127.0 44.4 1.0 8.1 224 224 A N - 0 0 79 -2,-0.5 -36,-0.4 -3,-0.1 2,-0.3 -0.839 19.5-155.1-124.6 90.5 48.0 1.3 6.9 225 225 A C E -a 2 0A 0 -224,-1.1 -222,-2.3 -2,-0.4 2,-0.8 -0.503 8.7-143.2 -74.4 130.0 48.7 5.0 6.0 226 226 A H E -af 3 189A 46 -38,-2.7 -36,-2.5 -2,-0.3 2,-0.5 -0.834 24.1-157.9 -91.8 111.0 51.4 5.8 3.5 227 227 A V E -af 4 190A 0 -224,-3.1 -222,-2.4 -2,-0.8 2,-0.5 -0.809 11.8-168.7-103.8 124.3 52.9 9.1 4.9 228 228 A F E -af 5 191A 11 -38,-3.2 -36,-2.1 -2,-0.5 2,-0.4 -0.968 13.2-178.4-114.1 116.6 54.8 11.4 2.6 229 229 A Y E -af 6 192A 8 -224,-3.2 -222,-2.0 -2,-0.5 2,-0.4 -0.932 12.6-173.4-123.7 136.6 56.7 14.2 4.4 230 230 A A E af 7 193A 5 -38,-1.4 -36,-2.6 -2,-0.4 -222,-0.2 -0.976 360.0 360.0-123.6 141.3 58.8 17.1 3.1 231 231 A E 0 0 137 -224,-1.2 -221,-0.1 -2,-0.4 -223,-0.0 -0.213 360.0 360.0 -70.4 360.0 60.7 19.4 5.3