==== 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 OXIDOREDUCTASE 09-DEC-99 1DLI . COMPND 2 MOLECULE: UDP-GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR R.E.CAMPBELL,S.C.MOSIMANN,I.VAN DE RIJN,M.E.TANNER,N.C.J.STR . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 0 2 1 3 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 M 0 0 67 0, 0.0 23,-3.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 142.8 -42.2 9.2 70.1 2 2 A K E -a 24 0A 74 21,-0.2 73,-3.1 71,-0.1 74,-1.1 -0.859 360.0-177.8 -96.9 118.5 -39.5 7.9 72.4 3 3 A I E -ab 25 76A 3 21,-1.7 23,-2.5 -2,-0.7 2,-0.4 -0.964 13.8-157.0-119.5 131.9 -36.2 7.6 70.6 4 4 A A E -ab 26 77A 1 72,-2.4 74,-2.9 -2,-0.4 2,-0.5 -0.884 6.3-160.6-105.9 135.1 -32.9 6.3 72.0 5 5 A V E -ab 27 78A 0 21,-2.7 23,-2.9 -2,-0.4 2,-0.9 -0.971 7.3-150.5-119.6 120.7 -29.6 7.3 70.4 6 6 A A E +ab 28 79A 2 72,-3.1 74,-3.1 -2,-0.5 23,-0.2 -0.785 68.8 36.8 -90.8 107.5 -26.5 5.2 71.0 7 7 A G - 0 0 8 21,-2.8 22,-0.2 -2,-0.9 21,-0.1 0.086 57.8-146.5 121.9 129.0 -23.5 7.5 70.8 8 8 A S + 0 0 1 4,-0.2 -1,-0.1 19,-0.1 21,-0.1 0.001 61.0 106.3-115.1 30.1 -22.8 11.1 71.8 9 9 A G S > S- 0 0 23 71,-0.4 4,-3.4 4,-0.0 5,-0.4 -0.066 93.9 -63.4 -90.0-162.5 -20.4 12.3 69.1 10 10 A Y H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.909 137.7 37.7 -50.1 -47.7 -21.0 14.7 66.2 11 11 A V H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.985 119.6 44.0 -72.9 -56.0 -23.5 12.3 64.6 12 12 A G H > S+ 0 0 1 68,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.900 117.1 46.8 -55.3 -41.6 -25.2 11.0 67.7 13 13 A L H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.938 111.7 46.7 -71.4 -45.1 -25.5 14.4 69.3 14 14 A S H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.4 -1,-0.2 0.912 115.7 46.4 -65.1 -38.8 -26.8 16.4 66.4 15 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.943 112.8 50.8 -66.2 -45.0 -29.4 13.7 65.5 16 16 A G H X S+ 0 0 0 -4,-2.3 4,-0.7 -5,-0.3 -2,-0.2 0.886 115.0 41.9 -59.8 -41.5 -30.4 13.5 69.2 17 17 A V H >< S+ 0 0 0 -4,-2.6 3,-1.3 2,-0.2 4,-0.4 0.964 113.3 54.0 -69.5 -48.7 -30.8 17.2 69.4 18 18 A L H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.3 -2,-0.2 0.869 114.5 40.3 -49.2 -45.2 -32.5 17.4 66.0 19 19 A L H 3X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.545 98.3 76.3 -85.3 -7.1 -35.1 14.8 67.0 20 20 A S T << S+ 0 0 0 -3,-1.3 40,-3.2 -4,-0.7 -1,-0.2 0.456 76.4 78.9 -84.4 -0.1 -35.7 16.1 70.6 21 21 A L T <4 S+ 0 0 40 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.874 119.5 4.0 -74.9 -38.0 -37.8 19.0 69.4 22 22 A Q T 4 S+ 0 0 161 -3,-0.5 2,-0.3 -4,-0.2 -2,-0.2 0.255 127.0 66.0-131.9 10.6 -40.9 17.0 68.9 23 23 A N S < S- 0 0 18 -4,-0.7 2,-1.0 37,-0.0 37,-0.4 -0.874 83.2-111.9-129.8 163.2 -39.7 13.6 70.2 24 24 A E E -a 2 0A 84 -23,-3.4 -21,-1.7 -2,-0.3 2,-0.3 -0.771 46.3-169.4 -98.3 91.4 -38.7 12.2 73.6 25 25 A V E -ac 3 61A 2 35,-2.2 37,-1.6 -2,-1.0 2,-0.5 -0.608 19.7-174.2 -93.8 140.7 -35.0 11.6 73.1 26 26 A T E -ac 4 62A 13 -23,-2.5 -21,-2.7 -2,-0.3 2,-0.4 -0.980 11.4-158.1-131.4 119.0 -32.6 9.7 75.3 27 27 A I E -ac 5 63A 0 35,-2.4 37,-2.0 -2,-0.5 2,-0.4 -0.802 7.3-159.4 -98.6 137.2 -28.9 9.7 74.3 28 28 A V E +ac 6 64A 4 -23,-2.9 -21,-2.8 -2,-0.4 2,-0.3 -0.935 17.0 161.5-119.0 136.7 -26.6 7.0 75.6 29 29 A D - 0 0 20 35,-1.7 38,-0.1 -2,-0.4 52,-0.0 -0.951 41.3-132.5-146.2 165.0 -22.9 7.1 75.9 30 30 A I S S+ 0 0 136 -2,-0.3 35,-0.1 36,-0.1 -2,-0.0 -0.003 87.0 83.1-106.3 23.6 -20.1 5.2 77.8 31 31 A L >> - 0 0 73 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.959 63.8-157.4-129.3 111.8 -18.4 8.4 78.9 32 32 A P H 3> S+ 0 0 74 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.881 91.8 61.8 -55.1 -41.3 -19.8 10.1 82.1 33 33 A S H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.902 106.5 45.8 -51.9 -45.1 -18.3 13.5 81.1 34 34 A K H <> S+ 0 0 51 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.889 113.6 48.2 -68.1 -40.9 -20.4 13.5 77.9 35 35 A V H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 28,-0.2 0.955 112.6 48.2 -65.1 -49.3 -23.6 12.4 79.7 36 36 A D H X S+ 0 0 94 -4,-3.3 4,-0.6 1,-0.2 -2,-0.2 0.899 112.0 50.9 -58.7 -38.8 -23.2 15.0 82.5 37 37 A K H ><>S+ 0 0 94 -4,-2.1 5,-3.3 -5,-0.3 3,-0.6 0.919 112.0 45.4 -64.2 -45.2 -22.5 17.7 79.8 38 38 A I H ><5S+ 0 0 4 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.929 109.1 54.9 -63.3 -49.0 -25.7 16.8 77.8 39 39 A N H 3<5S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.638 111.4 47.4 -61.4 -13.5 -27.9 16.6 80.9 40 40 A N T <<5S- 0 0 130 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.322 124.2 -99.6-109.6 4.7 -26.8 20.1 81.7 41 41 A G T < 5S+ 0 0 24 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.728 79.6 127.2 87.6 21.5 -27.2 21.7 78.3 42 42 A L < - 0 0 106 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.930 55.2-131.0-118.3 140.4 -23.7 21.6 77.1 43 43 A S - 0 0 22 -2,-0.4 4,-0.1 1,-0.1 8,-0.0 -0.698 6.8-148.9 -85.3 128.4 -22.3 20.2 73.9 44 44 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.360 86.1 49.0 -75.7 7.3 -19.2 17.9 74.4 45 45 A I S S- 0 0 16 2,-0.1 2,-0.5 -36,-0.1 6,-0.1 -0.992 98.7 -97.4-145.1 149.9 -18.1 19.1 70.9 46 46 A Q + 0 0 102 -2,-0.3 100,-0.4 278,-0.1 2,-0.2 -0.557 59.8 142.8 -69.8 117.4 -17.7 22.5 69.3 47 47 A D > - 0 0 2 -2,-0.5 4,-3.2 1,-0.1 5,-0.3 -0.725 40.7-153.3-161.5 107.6 -20.9 23.1 67.2 48 48 A E H > S+ 0 0 149 98,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.898 97.6 40.4 -46.1 -53.8 -22.6 26.4 66.9 49 49 A Y H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 115.5 48.8 -69.0 -41.0 -26.0 25.0 66.2 50 50 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 113.3 49.8 -62.6 -44.2 -25.9 22.2 68.7 51 51 A E H X S+ 0 0 91 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.921 112.6 46.2 -59.3 -46.8 -24.7 24.7 71.3 52 52 A Y H X S+ 0 0 124 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.889 112.5 50.0 -65.2 -39.0 -27.5 27.1 70.5 53 53 A Y H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 107.8 52.0 -69.9 -39.3 -30.2 24.4 70.5 54 54 A L H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 120.3 36.4 -63.2 -33.8 -29.2 23.0 73.9 55 55 A K H < S+ 0 0 172 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.838 130.9 21.7 -88.9 -38.2 -29.3 26.4 75.4 56 56 A S H < S+ 0 0 59 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.513 102.3 79.0-116.7 -2.9 -32.2 28.2 73.7 57 57 A K S < S- 0 0 78 -4,-2.0 2,-1.0 -5,-0.3 -36,-0.0 -0.652 80.6-112.8-102.6 160.3 -34.6 25.6 72.2 58 58 A Q + 0 0 171 -2,-0.2 2,-0.4 2,-0.1 -4,-0.1 -0.828 49.3 175.0 -93.3 105.0 -37.2 23.6 74.1 59 59 A L - 0 0 36 -2,-1.0 2,-1.2 -5,-0.2 -38,-0.2 -0.923 37.0-148.6-116.0 137.8 -35.8 20.1 73.8 60 60 A S + 0 0 58 -40,-3.2 -35,-2.2 -37,-0.4 2,-0.4 -0.679 56.3 134.1 -99.3 76.6 -37.0 16.8 75.3 61 61 A I E +c 25 0A 31 -2,-1.2 2,-0.3 -37,-0.2 -35,-0.2 -0.992 25.1 165.1-135.1 133.0 -33.5 15.4 75.6 62 62 A K E -c 26 0A 95 -37,-1.6 -35,-2.4 -2,-0.4 2,-0.3 -0.975 21.6-140.4-140.9 151.2 -31.7 13.6 78.4 63 63 A A E +c 27 0A 9 -2,-0.3 2,-0.3 -28,-0.2 -35,-0.2 -0.750 22.9 165.5-113.4 162.4 -28.5 11.6 78.5 64 64 A T E -c 28 0A 36 -37,-2.0 -35,-1.7 -2,-0.3 -2,-0.0 -0.993 41.6-142.0-166.1 164.0 -27.5 8.4 80.4 65 65 A L S S+ 0 0 74 -2,-0.3 2,-1.9 -37,-0.2 3,-0.2 0.479 79.0 100.1-106.8 -8.4 -25.1 5.5 80.7 66 66 A D > + 0 0 89 1,-0.2 4,-1.8 2,-0.1 5,-0.2 -0.514 49.6 176.2 -81.3 74.4 -27.9 3.1 81.5 67 67 A S H > S+ 0 0 17 -2,-1.9 4,-3.3 1,-0.2 5,-0.2 0.870 74.8 48.1 -43.7 -54.9 -28.1 1.5 78.0 68 68 A K H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.915 108.2 53.1 -60.6 -45.3 -30.7 -1.1 78.9 69 69 A A H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.856 116.4 42.2 -59.6 -31.7 -33.0 1.4 80.7 70 70 A A H X S+ 0 0 8 -4,-1.8 4,-0.9 -3,-0.2 -2,-0.2 0.914 115.4 46.3 -80.8 -46.4 -32.9 3.5 77.5 71 71 A Y H < S+ 0 0 3 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.804 108.1 56.2 -68.4 -30.5 -33.2 0.8 74.9 72 72 A K H < S+ 0 0 151 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 110.2 44.6 -69.2 -35.7 -36.1 -1.0 76.6 73 73 A E H < S+ 0 0 75 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.648 94.5 107.1 -81.9 -19.5 -38.2 2.0 76.6 74 74 A A < - 0 0 2 -4,-0.9 37,-0.2 1,-0.1 -71,-0.2 -0.183 50.5-164.8 -67.1 152.5 -37.5 3.1 73.0 75 75 A E S S+ 0 0 87 -73,-3.1 37,-1.0 1,-0.4 2,-0.3 0.618 89.0 16.4-102.9 -28.7 -39.7 2.9 69.9 76 76 A L E -bd 3 112A 2 -74,-1.1 -72,-2.4 35,-0.2 2,-0.5 -0.994 69.9-154.4-142.4 144.9 -36.7 3.5 67.7 77 77 A V E -bd 4 113A 0 35,-1.8 37,-3.6 -2,-0.3 2,-0.6 -0.983 4.7-160.8-125.8 124.8 -33.0 3.2 68.4 78 78 A I E -bd 5 114A 0 -74,-2.9 -72,-3.1 -2,-0.5 2,-0.6 -0.902 9.6-152.8-105.0 119.2 -30.5 5.1 66.4 79 79 A I E +bd 6 115A 0 35,-2.7 37,-3.1 -2,-0.6 38,-1.8 -0.825 29.0 156.4 -98.4 118.5 -27.0 3.7 66.5 80 80 A A + 0 0 13 -74,-3.1 -68,-0.5 -2,-0.6 -71,-0.4 -0.174 26.1 137.2-133.2 42.2 -24.2 6.2 66.0 81 81 A T - 0 0 25 1,-0.2 16,-0.1 -74,-0.1 -74,-0.1 -0.230 61.4 -69.6 -80.9 175.3 -21.3 4.5 67.8 82 82 A P - 0 0 59 0, 0.0 14,-0.3 0, 0.0 -1,-0.2 -0.288 36.7-174.6 -70.2 150.3 -17.7 4.4 66.3 83 83 A T - 0 0 5 13,-0.1 11,-0.1 -3,-0.1 2,-0.1 -0.631 16.5-176.5-141.2 80.7 -16.6 2.4 63.3 84 84 A N - 0 0 69 9,-0.5 9,-3.1 -2,-0.2 2,-0.5 -0.417 30.9-114.0 -80.0 154.9 -12.9 2.7 62.9 85 85 A Y E -F 92 0B 46 7,-0.3 2,-0.6 -2,-0.1 7,-0.3 -0.786 30.2-147.5 -86.4 128.0 -10.9 1.2 60.1 86 86 A N E >> -F 91 0B 46 5,-3.2 5,-1.7 -2,-0.5 4,-1.6 -0.882 7.6-159.8-105.8 112.1 -8.6 -1.5 61.6 87 87 A S T 45S+ 0 0 101 -2,-0.6 -1,-0.1 1,-0.2 5,-0.1 0.763 88.0 56.2 -58.7 -32.7 -5.3 -1.9 59.8 88 88 A R T 45S+ 0 0 235 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.952 117.3 32.1 -68.4 -49.1 -4.7 -5.5 61.1 89 89 A I T 45S- 0 0 94 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.613 102.7-128.5 -85.1 -10.8 -7.9 -7.0 59.8 90 90 A N T <5S+ 0 0 83 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.950 77.2 75.4 64.1 49.4 -8.1 -4.7 56.8 91 91 A Y E > + 0 0 14 -2,-1.0 4,-2.5 1,-0.2 3,-0.9 0.176 44.5 112.4 -96.1 17.2 -17.8 -3.0 63.9 95 95 A Q H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.761 73.0 55.7 -61.3 -30.2 -17.8 -4.2 67.4 96 96 A H H 3> S+ 0 0 61 -3,-0.4 4,-0.7 -14,-0.3 -1,-0.2 0.719 112.7 41.4 -77.8 -20.8 -19.3 -1.0 68.8 97 97 A V H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.865 116.1 49.4 -87.4 -44.8 -22.3 -1.2 66.5 98 98 A E H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.899 107.6 55.4 -60.4 -43.0 -22.7 -5.0 67.0 99 99 A T H X S+ 0 0 81 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.901 109.9 44.8 -60.0 -42.4 -22.5 -4.6 70.7 100 100 A V H X S+ 0 0 8 -4,-0.7 4,-3.4 2,-0.2 5,-0.3 0.923 110.3 54.5 -69.3 -41.6 -25.4 -2.0 70.8 101 101 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.952 110.4 47.0 -53.7 -51.5 -27.5 -4.1 68.4 102 102 A K H X S+ 0 0 139 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.928 113.5 48.5 -56.1 -48.8 -27.2 -7.1 70.7 103 103 A E H X S+ 0 0 46 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.942 114.1 45.4 -58.3 -50.2 -28.0 -5.0 73.7 104 104 A V H >X S+ 0 0 0 -4,-3.4 4,-1.1 1,-0.2 3,-0.9 0.921 112.4 51.1 -60.9 -45.1 -31.1 -3.4 72.0 105 105 A L H 3< S+ 0 0 35 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.802 105.1 57.7 -64.8 -28.2 -32.3 -6.8 70.8 106 106 A S H 3< S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.676 120.0 25.9 -77.4 -16.9 -32.0 -8.4 74.2 107 107 A V H << S+ 0 0 51 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.2 0.360 118.7 57.2-126.7 6.2 -34.4 -5.9 75.9 108 108 A N < + 0 0 5 -4,-1.1 -1,-0.2 -5,-0.1 -36,-0.1 -0.956 44.0 172.2-142.9 121.2 -36.6 -4.7 73.1 109 109 A S S S+ 0 0 100 -2,-0.4 -1,-0.1 -37,-0.1 -4,-0.1 0.286 82.0 37.8-110.2 8.7 -38.7 -6.9 70.8 110 110 A H S S+ 0 0 92 -36,-0.2 -35,-0.1 2,-0.0 -1,-0.1 0.639 86.4 99.3-127.4 -32.5 -40.6 -4.2 68.9 111 111 A A - 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0 0 80 -5,-3.4 2,-1.0 -6,-0.2 -1,-0.2 -0.698 57.5 -99.0-106.9 161.7 3.8 26.9 38.4 231 231 A N > - 0 0 101 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 -0.677 35.5-170.1 -79.0 104.7 1.1 29.2 39.9 232 232 A S H > S+ 0 0 8 -2,-1.0 4,-3.0 2,-0.2 5,-0.3 0.901 82.8 54.2 -65.2 -42.4 -1.3 26.6 41.4 233 233 A H H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.916 107.3 52.5 -57.7 -42.6 -4.1 29.1 42.2 234 234 A M H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 113.4 43.5 -63.2 -38.8 -4.0 30.1 38.5 235 235 A I H X S+ 0 0 55 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.939 114.9 46.0 -73.7 -47.4 -4.4 26.5 37.4 236 236 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.910 114.1 50.1 -62.0 -39.3 -7.1 25.5 39.9 237 237 A Q H X S+ 0 0 57 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.939 109.9 51.4 -65.6 -43.4 -9.0 28.6 39.2 238 238 A G H < S+ 0 0 49 -4,-1.8 3,-0.3 -5,-0.3 -2,-0.2 0.894 115.5 39.3 -62.8 -41.6 -8.8 27.9 35.4 239 239 A I H >< S+ 0 0 48 -4,-2.5 3,-1.5 1,-0.2 7,-0.3 0.888 110.7 60.6 -77.1 -32.6 -10.0 24.4 35.6 240 240 A S H 3< S+ 0 0 2 -4,-2.7 6,-0.5 -5,-0.3 -1,-0.2 0.629 84.2 75.5 -69.5 -14.6 -12.7 25.2 38.3 241 241 A Y T 3< S+ 0 0 144 -4,-1.0 2,-1.0 -3,-0.3 -1,-0.3 0.584 72.7 95.7 -71.7 -7.8 -14.6 27.7 36.1 242 242 A D S X> S- 0 0 54 -3,-1.5 3,-3.6 1,-0.2 4,-2.5 -0.771 77.7-146.1 -80.6 108.6 -15.9 24.6 34.3 243 243 A D T 34 S+ 0 0 149 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.655 97.1 65.4 -52.0 -16.4 -19.3 24.3 36.2 244 244 A R T 34 S+ 0 0 212 1,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.616 114.0 30.3 -81.0 -13.7 -18.8 20.5 35.8 245 245 A I T <4 S- 0 0 55 -3,-3.6 -2,-0.2 -6,-0.2 3,-0.2 0.762 104.6-160.7-106.3 -50.5 -15.7 20.7 38.0 246 246 A G < - 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0 0 47 -3,-0.1 -5,-0.0 1,-0.1 0, 0.0 -0.917 33.5-177.5-178.8 155.6 -10.7 -1.3 39.6 278 278 A T S > S+ 0 0 108 -2,-0.3 4,-2.0 3,-0.1 5,-0.1 0.486 83.3 60.9-132.5 -30.4 -7.6 0.9 39.8 279 279 A L H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 96.8 58.5 -68.9 -43.7 -9.0 4.3 40.9 280 280 A I H > S+ 0 0 18 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.935 112.9 38.6 -55.4 -48.9 -10.3 3.1 44.2 281 281 A E H >> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.904 113.5 55.8 -70.0 -39.1 -6.9 1.9 45.4 282 282 A A H 3X S+ 0 0 44 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.880 99.4 62.0 -59.8 -35.2 -5.1 4.8 43.9 283 283 A I H 3X S+ 0 0 7 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.851 109.0 42.1 -59.7 -33.5 -7.3 7.2 45.9 284 284 A V H < S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.971 105.6 51.0 -59.0 -64.5 15.3 22.9 56.0 303 303 A K H 3< S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 98.9 69.5 -49.6 -26.6 18.7 21.6 54.9 304 304 A E T 3< S+ 0 0 155 -4,-1.1 2,-0.4 -3,-0.3 -1,-0.3 0.010 87.0 92.4 -82.0 30.8 19.1 24.8 52.9 305 305 A Q S < S- 0 0 53 -3,-1.1 2,-1.1 2,-0.1 70,-0.0 -0.990 71.6-138.3-131.1 133.5 19.5 26.6 56.2 306 306 A E + 0 0 203 -2,-0.4 3,-0.1 4,-0.0 -2,-0.1 -0.746 54.7 122.9 -92.5 97.8 22.6 27.5 58.2 307 307 A S - 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0 0 26 1,-0.1 8,-0.3 5,-0.1 13,-0.2 -0.261 61.0-130.3 -55.7 138.7 -6.6 20.5 63.5 319 319 A M S S- 0 0 17 6,-2.0 -62,-0.3 10,-0.1 11,-0.3 0.634 79.1 -3.4 -71.3 -15.0 -7.7 18.3 60.6 320 320 A K S > S- 0 0 44 5,-0.3 3,-2.1 -64,-0.1 5,-0.1 -0.956 99.9 -54.8-162.8 171.5 -9.5 21.0 58.6 321 321 A S T 3 S+ 0 0 18 81,-2.4 81,-0.1 -2,-0.3 -2,-0.1 -0.299 123.3 3.3 -56.0 135.7 -10.4 24.7 58.7 322 322 A N T 3 S+ 0 0 134 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.568 95.7 147.6 64.8 9.5 -12.4 25.5 61.9 323 323 A S < - 0 0 2 -3,-2.1 -1,-0.2 1,-0.1 -5,-0.1 -0.311 42.0-155.9 -74.5 162.8 -12.1 22.0 63.2 324 324 A D S S+ 0 0 34 -278,-0.1 2,-0.3 -6,-0.0 -1,-0.1 0.071 73.5 49.8-122.8 17.5 -11.9 21.1 66.9 325 325 A N - 0 0 19 -5,-0.1 -6,-2.0 2,-0.1 -5,-0.3 -0.925 65.9-139.4-145.6 173.1 -10.1 17.7 66.6 326 326 A F > + 0 0 41 -2,-0.3 3,-2.6 -8,-0.3 6,-0.1 0.089 39.7 157.1-123.7 20.3 -7.1 16.3 64.9 327 327 A R T 3 S- 0 0 86 1,-0.3 -69,-1.8 -70,-0.1 3,-0.1 -0.262 82.7 -15.0 -52.6 122.6 -8.5 12.9 63.8 328 328 A E T 3 S- 0 0 84 -71,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.768 89.0-177.6 51.8 27.8 -6.4 11.7 60.9 329 329 A S X> - 0 0 1 -3,-2.6 3,-1.6 -72,-0.2 4,-0.7 -0.378 25.2-139.3 -57.1 125.4 -5.0 15.2 60.6 330 330 A A H >> S+ 0 0 2 -75,-0.3 4,-1.6 -11,-0.3 3,-0.5 0.790 98.0 64.0 -60.5 -29.4 -2.6 15.0 57.5 331 331 A I H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.735 93.6 64.5 -69.3 -18.5 0.0 17.2 59.2 332 332 A K H <> S+ 0 0 81 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.882 101.9 46.5 -71.3 -36.9 0.5 14.5 61.7 333 333 A D H < S+ 0 0 51 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.913 110.6 53.2 -59.0 -42.5 8.1 11.4 58.5 338 338 A L H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.3 5,-0.4 0.902 104.4 55.0 -60.9 -39.0 10.0 14.4 59.7 339 339 A K H 3< S+ 0 0 56 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.807 90.9 73.7 -63.1 -28.4 10.7 12.7 63.0 340 340 A S T << S+ 0 0 85 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.533 104.0 48.1 -60.9 -6.0 12.2 9.8 61.0 341 341 A K S < S- 0 0 106 -3,-1.8 2,-0.8 2,-0.1 -3,-0.0 -0.452 111.8 -84.9-118.9-166.8 15.0 12.4 60.4 342 342 A D S S+ 0 0 163 -2,-0.2 2,-0.5 2,-0.1 -32,-0.3 -0.568 74.9 132.4-107.6 71.5 16.9 14.6 62.8 343 343 A I - 0 0 22 -2,-0.8 2,-0.3 -5,-0.4 -32,-0.2 -0.973 54.4-131.8-123.9 121.7 14.5 17.5 63.0 344 344 A K E -h 311 0D 80 -34,-1.8 -32,-2.8 -2,-0.5 2,-0.5 -0.550 27.1-154.3 -70.4 132.3 13.4 19.1 66.3 345 345 A I E -h 312 0D 4 15,-0.3 17,-2.1 -2,-0.3 2,-0.4 -0.943 15.5-178.2-113.7 124.6 9.6 19.5 66.1 346 346 A I E -hj 313 362D 0 -34,-2.5 -32,-3.7 -2,-0.5 2,-0.4 -0.963 12.0-157.4-117.8 140.8 7.8 22.1 68.1 347 347 A I E -hj 314 363D 4 15,-2.4 17,-2.0 -2,-0.4 2,-0.7 -0.978 9.9-158.3-123.3 130.5 3.9 22.3 67.8 348 348 A Y E +h 315 0D 25 -34,-3.0 -32,-2.4 -2,-0.4 17,-0.1 -0.908 31.0 149.5-108.4 102.4 1.7 25.2 68.5 349 349 A E > - 0 0 0 -2,-0.7 3,-3.0 3,-0.2 16,-0.1 -0.762 26.6-170.6-137.4 90.6 -1.9 23.9 69.3 350 350 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.830 88.7 60.5 -45.1 -42.7 -4.0 26.0 71.7 351 351 A M T 3 S+ 0 0 82 -26,-0.0 2,-0.4 2,-0.0 -27,-0.0 0.514 95.3 79.5 -66.8 -5.6 -6.6 23.3 71.8 352 352 A L < - 0 0 35 -3,-3.0 -3,-0.2 1,-0.2 3,-0.1 -0.877 52.1-176.8-110.2 138.8 -4.0 20.9 73.2 353 353 A N S S- 0 0 150 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.863 72.1 -1.5 -95.1 -49.0 -2.9 20.8 76.8 354 354 A K - 0 0 171 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.995 65.3-126.5-145.2 147.7 -0.1 18.1 76.7 355 355 A L - 0 0 31 -2,-0.3 8,-0.0 1,-0.2 -3,-0.0 -0.521 56.3 -70.3 -87.8 160.7 1.4 15.8 74.1 356 356 A E > - 0 0 158 -2,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.104 53.6-107.8 -46.0 152.1 1.5 12.1 74.7 357 357 A S T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.758 118.2 40.9 -59.7 -24.7 4.1 11.4 77.5 358 358 A E T 3 S+ 0 0 181 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.575 81.6 125.6-101.3 -8.6 6.5 9.9 75.0 359 359 A D < - 0 0 37 -3,-0.9 -4,-0.1 1,-0.2 0, 0.0 -0.240 49.7-153.4 -53.9 129.4 6.1 12.4 72.1 360 360 A Q + 0 0 169 2,-0.1 -15,-0.3 -14,-0.0 -1,-0.2 0.623 69.4 94.5 -81.1 -13.1 9.5 13.8 71.1 361 361 A S S S- 0 0 8 -17,-0.1 2,-0.4 -15,-0.1 -15,-0.2 -0.338 74.5-131.9 -72.1 161.6 7.8 17.0 69.8 362 362 A V E -j 346 0D 69 -17,-2.1 -15,-2.4 2,-0.0 2,-0.7 -0.976 10.5-134.2-119.7 131.0 7.6 19.9 72.2 363 363 A L E +j 347 0D 41 -2,-0.4 2,-0.6 -17,-0.2 -15,-0.2 -0.752 24.4 178.5 -89.5 117.7 4.4 21.8 72.7 364 364 A V + 0 0 18 -17,-2.0 6,-0.1 -2,-0.7 -2,-0.0 -0.874 9.2 171.0-119.9 96.0 4.9 25.6 72.7 365 365 A N + 0 0 63 -2,-0.6 2,-0.8 -17,-0.1 3,-0.1 0.417 54.7 95.4 -88.0 4.0 1.6 27.4 73.1 366 366 A D > - 0 0 74 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.869 66.3-158.0 -89.7 114.3 3.2 30.9 73.5 367 367 A L H > S+ 0 0 28 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.873 86.4 57.0 -64.5 -38.8 2.9 32.0 69.9 368 368 A E H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 110.7 42.4 -57.1 -52.2 5.7 34.5 70.2 369 369 A N H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.902 109.2 60.7 -61.2 -42.2 8.3 31.9 71.3 370 370 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.940 108.9 41.5 -50.1 -54.0 6.9 29.5 68.7 371 371 A K H < S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.1 57.1 -62.8 -38.1 7.8 31.9 65.9 372 372 A K H < S+ 0 0 146 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 114.1 36.8 -58.7 -47.8 11.1 32.7 67.7 373 373 A Q H < S+ 0 0 75 -4,-2.9 2,-0.3 -5,-0.1 -1,-0.2 0.740 94.4 96.3 -78.5 -28.2 12.3 29.1 67.7 374 374 A A < - 0 0 2 -4,-2.1 -62,-0.2 -5,-0.3 3,-0.2 -0.517 47.8-169.8 -75.2 129.0 10.9 27.8 64.4 375 375 A N S S+ 0 0 31 -64,-2.5 2,-0.3 1,-0.4 -63,-0.2 0.835 87.5 9.9 -75.7 -38.7 13.3 27.8 61.5 376 376 A I E S-i 312 0D 4 -65,-1.3 -63,-2.9 -3,-0.1 2,-0.6 -0.994 74.3-140.8-141.7 139.7 10.3 27.0 59.3 377 377 A I E -ik 313 393D 0 15,-3.1 17,-3.4 -2,-0.3 2,-0.5 -0.920 16.6-164.0-108.2 120.7 6.7 27.1 60.1 378 378 A V E +ik 314 394D 1 -65,-2.5 -63,-2.6 -2,-0.6 2,-0.3 -0.892 16.8 163.9-104.8 128.1 4.6 24.3 58.6 379 379 A T - 0 0 1 15,-1.9 18,-0.3 -2,-0.5 17,-0.3 -0.996 38.6-145.6-148.1 141.5 0.8 24.7 58.6 380 380 A N S S+ 0 0 14 -65,-0.5 2,-0.4 -2,-0.3 16,-0.3 0.895 97.1 24.3 -72.2 -41.8 -2.0 23.0 56.7 381 381 A R S S- 0 0 27 -66,-0.3 -1,-0.3 -61,-0.1 -128,-0.0 -0.987 87.5-125.5-128.3 127.7 -4.1 26.2 56.5 382 382 A Y - 0 0 72 -2,-0.4 2,-0.3 -3,-0.2 16,-0.0 -0.249 23.6-161.3 -66.0 152.7 -2.5 29.6 56.8 383 383 A D > - 0 0 72 1,-0.1 3,-1.3 -4,-0.0 4,-0.0 -0.997 26.0-122.6-139.6 143.6 -3.7 32.1 59.3 384 384 A N G > S+ 0 0 133 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.739 104.0 71.8 -54.5 -29.8 -3.3 35.9 59.6 385 385 A E G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.217 91.5 63.8 -74.3 17.8 -1.6 35.9 62.9 386 386 A L G X + 0 0 0 -3,-1.3 3,-1.4 2,-0.1 -1,-0.3 0.230 68.1 104.3-118.7 4.9 1.4 34.5 61.0 387 387 A Q G X S+ 0 0 132 -3,-1.9 3,-1.2 1,-0.3 4,-0.2 0.822 72.9 59.8 -59.7 -34.0 2.0 37.6 58.9 388 388 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.640 116.1 32.9 -72.6 -12.0 5.0 38.7 60.8 389 389 A V G X S+ 0 0 23 -3,-1.4 3,-2.1 1,-0.1 -1,-0.2 0.028 83.3 132.8-126.9 22.8 6.9 35.5 60.1 390 390 A K G X + 0 0 128 -3,-1.2 3,-1.6 1,-0.3 -2,-0.1 0.777 60.8 60.4 -42.9 -45.5 5.3 35.1 56.7 391 391 A N G 3 S+ 0 0 168 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.540 104.6 47.7 -72.5 -4.9 8.5 34.3 54.7 392 392 A K G < S+ 0 0 68 -3,-2.1 -15,-3.1 -16,-0.0 2,-0.5 0.123 88.1 108.1-117.2 20.0 9.4 31.2 56.7 393 393 A V E < -k 377 0D 28 -3,-1.6 2,-0.5 -17,-0.2 -15,-0.2 -0.849 50.6-162.2-101.3 125.3 5.9 29.7 56.5 394 394 A Y E +k 378 0D 23 -17,-3.4 -15,-1.9 -2,-0.5 2,-0.3 -0.910 29.4 135.3-105.8 124.6 5.4 26.7 54.2 395 395 A S - 0 0 28 -2,-0.5 -15,-0.1 -17,-0.2 -14,-0.1 -0.967 46.6-148.6-161.2 155.7 1.8 25.8 53.2 396 396 A R + 0 0 44 -2,-0.3 -16,-0.1 -17,-0.3 -15,-0.1 0.307 57.2 130.9-109.5 3.3 -0.1 24.8 50.1 397 397 A D + 0 0 30 -18,-0.3 -144,-0.1 -17,-0.2 -2,-0.1 -0.321 22.3 163.0 -57.1 129.9 -3.3 26.5 51.2 398 398 A I + 0 0 50 -146,-0.3 -1,-0.2 3,-0.2 -147,-0.1 0.711 68.3 32.4-115.8 -56.3 -4.7 28.7 48.5 399 399 A F S S- 0 0 59 2,-0.1 3,-0.1 -147,-0.1 -2,-0.1 0.407 93.7-123.0 -90.5 0.3 -8.4 29.5 49.3 400 400 A G S S+ 0 0 53 1,-0.2 2,-0.3 -17,-0.0 -19,-0.1 0.884 75.8 79.3 63.1 43.9 -8.4 29.6 53.2 401 401 A R 0 0 86 -80,-0.0 -1,-0.2 -79,-0.0 -3,-0.2 -0.963 360.0 360.0-163.5 175.3 -11.1 27.0 53.8 402 402 A D 0 0 81 -2,-0.3 -81,-2.4 -81,-0.1 -2,-0.0 -0.099 360.0 360.0 42.8 360.0 -11.8 23.3 54.0