==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-FEB-09 3GG2 . COMPND 2 MOLECULE: SUGAR DEHYDROGENASE, UDP-GLUCOSE/GDP-MANNOSE . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.CHANG,P.SAMPATHKUMAR, . 1703 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1237 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 213 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 0.8 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 . 2 0.1 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 . 145 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 629 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 1.9 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 7 2 4 4 5 10 3 9 4 8 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 4 8 23 9 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 . 5 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 . 0 0 0 0 4 0 4 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 78 A S 0 0 59 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-147.4 7.5 48.1 94.3 2 79 A L - 0 0 22 1679,-0.3 24,-2.2 22,-0.2 2,-0.6 -0.979 360.0-143.3-139.3 149.1 10.9 46.5 94.6 3 80 A D E -a 26 0A 61 -2,-0.3 76,-2.9 22,-0.2 77,-1.4 -0.981 30.6-176.3-105.9 124.3 12.8 45.2 97.6 4 81 A I E -ab 27 80A 3 22,-3.0 24,-2.3 -2,-0.6 2,-0.4 -0.956 16.9-161.0-126.7 141.9 16.4 45.9 97.1 5 82 A A E -ab 28 81A 0 75,-2.3 77,-2.9 -2,-0.4 2,-0.4 -0.934 6.9-166.0-115.1 144.8 19.5 45.1 99.1 6 83 A V E -ab 29 82A 0 22,-2.6 24,-3.0 -2,-0.4 2,-0.6 -0.998 8.0-152.1-130.9 127.1 22.9 46.9 98.7 7 84 A V E +ab 30 83A 7 75,-2.9 77,-2.5 -2,-0.4 24,-0.2 -0.901 61.2 43.5 -99.6 120.0 26.1 45.6 100.1 8 85 A G - 0 0 2 22,-2.9 23,-0.1 -2,-0.6 77,-0.1 -0.072 54.3-144.4 123.9 137.6 28.7 48.3 100.9 9 86 A I + 0 0 11 4,-0.2 76,-0.1 -2,-0.1 22,-0.1 0.117 62.9 114.6-117.0 19.6 28.7 51.7 102.5 10 87 A G S > S- 0 0 45 74,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.092 93.3 -81.4 -60.7-178.0 31.4 53.3 100.3 11 88 A Y H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.929 131.9 51.3 -55.0 -47.8 30.1 56.2 98.1 12 89 A V H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 115.6 37.6 -59.4 -54.9 28.8 53.8 95.5 13 90 A G H > S+ 0 0 0 71,-0.6 4,-2.7 2,-0.2 5,-0.3 0.910 120.1 46.7 -65.8 -42.3 26.8 51.6 97.9 14 91 A L H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.940 116.1 43.1 -68.7 -45.2 25.6 54.4 100.1 15 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.942 116.6 47.5 -66.3 -46.2 24.5 56.7 97.3 16 93 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 5,-0.2 0.942 113.7 47.0 -63.7 -45.4 22.9 53.9 95.3 17 94 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.918 114.7 47.8 -60.5 -43.0 20.9 52.5 98.3 18 95 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.902 111.7 48.3 -67.0 -40.5 19.8 56.0 99.3 19 96 A C H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.885 109.0 52.7 -69.6 -39.5 18.7 57.0 95.8 20 97 A F H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 -1,-0.2 0.890 110.9 48.5 -60.8 -39.8 16.7 53.8 95.3 21 98 A A H ><5S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 -2,-0.2 0.916 107.5 54.3 -63.5 -42.6 14.9 54.5 98.6 22 99 A E H 3<5S+ 0 0 21 -4,-2.2 1658,-0.2 1,-0.3 -1,-0.2 0.804 104.8 57.4 -60.0 -31.4 14.3 58.1 97.5 23 100 A L T 3<5S- 0 0 0 -4,-1.5 1658,-1.3 -5,-0.1 -1,-0.3 0.411 129.8 -92.8 -82.0 -2.0 12.6 56.6 94.3 24 101 A G T < 5S+ 0 0 7 -3,-1.7 -3,-0.2 1,-0.3 -22,-0.2 0.377 81.5 131.6 110.8 -3.3 10.1 54.6 96.3 25 102 A A < - 0 0 0 -5,-2.2 2,-0.6 -6,-0.1 -1,-0.3 -0.418 60.6-119.7 -81.2 155.9 11.9 51.2 96.8 26 103 A N E -a 3 0A 81 -24,-2.2 -22,-3.0 -2,-0.1 2,-0.4 -0.883 44.2-171.8 -88.1 121.1 12.2 49.4 100.1 27 104 A V E -ac 4 65A 3 37,-3.3 39,-2.1 -2,-0.6 2,-0.5 -0.947 25.9-166.7-128.0 137.0 16.0 49.2 100.6 28 105 A R E -ac 5 66A 56 -24,-2.3 -22,-2.6 -2,-0.4 2,-0.5 -0.989 12.0-162.4-115.4 125.1 18.3 47.5 103.0 29 106 A C E -ac 6 67A 0 37,-2.6 39,-2.2 -2,-0.5 2,-0.4 -0.948 13.6-165.7-111.7 123.7 22.0 48.6 102.9 30 107 A I E +ac 7 68A 3 -24,-3.0 -22,-2.9 -2,-0.5 2,-0.3 -0.878 16.0 160.3-118.3 139.4 24.4 46.2 104.6 31 108 A D - 0 0 32 37,-1.8 6,-0.1 -2,-0.4 -2,-0.0 -0.983 43.0-125.4-150.8 158.5 28.0 46.4 105.7 32 109 A T S S+ 0 0 135 -2,-0.3 2,-1.2 1,-0.1 37,-0.1 0.715 87.3 93.8 -72.8 -21.5 30.4 44.6 108.1 33 110 A D > - 0 0 73 1,-0.2 4,-2.4 2,-0.1 5,-0.1 -0.613 53.4-176.9 -82.0 95.5 31.2 47.8 110.0 34 111 A R H > S+ 0 0 61 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.841 78.8 55.3 -63.7 -38.1 28.7 47.7 112.9 35 112 A N H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 112.2 41.3 -59.9 -52.2 29.8 51.1 114.3 36 113 A K H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 112.0 56.2 -66.6 -41.1 29.3 53.0 111.0 37 114 A I H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.934 109.5 45.9 -54.3 -47.9 26.0 51.1 110.4 38 115 A E H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 113.5 49.9 -64.3 -40.9 24.6 52.2 113.7 39 116 A Q H X>S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 5,-1.9 0.810 109.3 50.6 -65.1 -35.0 25.8 55.8 113.1 40 117 A L H <5S+ 0 0 4 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.948 112.0 48.0 -69.2 -46.1 24.2 55.8 109.6 41 118 A N H <5S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 118.5 41.4 -54.8 -43.0 21.0 54.6 111.2 42 119 A S H <5S- 0 0 94 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.725 104.8-123.8 -84.4 -23.6 21.3 57.3 113.9 43 120 A G T <5S+ 0 0 57 -4,-2.1 -3,-0.2 -5,-0.1 -4,-0.1 0.783 73.5 125.0 82.5 29.4 22.4 60.2 111.7 44 121 A T < + 0 0 86 -5,-1.9 -4,-0.2 -6,-0.1 -5,-0.1 0.104 42.8 92.1-108.3 18.8 25.5 60.7 113.9 45 122 A I S S- 0 0 28 -6,-0.5 2,-0.2 -5,-0.1 -9,-0.0 -0.960 78.5-118.7-115.5 130.2 28.2 60.5 111.2 46 123 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.513 32.9-171.8 -66.5 131.8 29.6 63.6 109.3 47 124 A I - 0 0 32 -2,-0.2 6,-0.2 1,-0.1 4,-0.1 -0.993 17.1-179.3-131.8 119.9 28.8 63.3 105.6 48 125 A Y + 0 0 66 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.533 47.9 113.1-101.7 -10.1 30.3 65.8 103.1 49 126 A E S >> S- 0 0 6 1,-0.1 3,-2.0 2,-0.1 4,-0.6 -0.515 85.3-101.8 -60.1 117.0 28.7 64.4 100.0 50 127 A P T 34 S- 0 0 74 0, 0.0 113,-0.4 0, 0.0 -1,-0.1 -0.172 97.1 -3.9 -51.9 127.6 26.3 67.2 99.0 51 128 A G T 3> S+ 0 0 47 -4,-0.1 4,-1.7 1,-0.1 5,-0.2 0.230 102.6 108.8 78.0 -11.0 22.7 66.4 99.9 52 129 A L H <> S+ 0 0 5 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.918 70.7 53.6 -71.0 -44.3 23.5 62.8 101.2 53 130 A E H X S+ 0 0 94 -4,-0.6 4,-2.4 -6,-0.2 -1,-0.2 0.937 113.8 42.1 -54.3 -51.6 23.0 63.3 104.9 54 131 A K H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.863 113.2 53.2 -65.5 -35.5 19.5 64.8 104.5 55 132 A M H X S+ 0 0 15 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.916 111.7 45.8 -69.0 -40.7 18.5 62.2 101.9 56 133 A I H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.964 112.9 50.9 -58.7 -49.8 19.5 59.3 104.2 57 134 A A H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 111.1 46.8 -61.7 -45.6 17.7 60.9 107.1 58 135 A R H X S+ 0 0 105 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.857 114.2 46.9 -66.3 -34.3 14.4 61.4 105.3 59 136 A N H <>S+ 0 0 0 -4,-1.7 6,-2.0 -5,-0.2 5,-1.7 0.804 111.7 50.0 -82.1 -27.5 14.4 57.9 103.8 60 137 A V H ><5S+ 0 0 41 -4,-2.6 3,-1.2 4,-0.2 -2,-0.2 0.932 112.5 48.3 -65.2 -46.0 15.3 56.3 107.2 61 138 A K H 3<5S+ 0 0 191 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.887 110.4 51.8 -59.9 -41.9 12.4 58.3 108.8 62 139 A A T 3<5S- 0 0 54 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.583 112.9-121.3 -71.6 -13.1 10.0 57.3 106.0 63 140 A G T < 5S+ 0 0 48 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.616 86.2 107.1 78.9 16.9 10.9 53.6 106.6 64 141 A R S > - 0 0 122 1,-0.2 4,-1.6 2,-0.0 3,-1.1 -0.826 44.9-177.9-114.2 99.8 23.9 40.8 108.2 71 148 A I H 3> S+ 0 0 21 -2,-0.7 4,-2.6 1,-0.2 3,-0.3 0.909 88.9 62.3 -50.0 -45.6 23.8 39.9 104.4 72 149 A E H 34 S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.787 104.5 47.0 -58.6 -26.9 22.1 36.6 105.4 73 150 A Q H <4 S+ 0 0 121 -3,-1.1 4,-0.3 1,-0.1 -1,-0.3 0.850 114.4 46.5 -77.9 -36.7 19.2 38.6 106.9 74 151 A A H >X S+ 0 0 1 -4,-1.6 4,-1.2 -3,-0.3 3,-1.1 0.811 98.0 70.3 -75.6 -32.6 18.8 40.9 103.8 75 152 A V G >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.905 97.1 47.3 -58.4 -49.8 19.0 38.2 101.1 76 153 A P G 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.646 112.8 52.8 -67.2 -12.1 15.6 36.5 101.7 77 154 A E G <4 S+ 0 0 88 -3,-1.1 2,-0.2 -4,-0.3 -2,-0.2 0.701 96.6 85.4 -91.3 -23.0 13.9 39.9 101.8 78 155 A A << - 0 0 2 -4,-1.2 -74,-0.2 -3,-0.7 3,-0.1 -0.531 50.3-167.6 -93.4 144.4 15.3 41.2 98.5 79 156 A D S S+ 0 0 50 -76,-2.9 37,-1.4 1,-0.3 2,-0.3 0.759 92.0 18.9 -84.0 -32.4 14.2 40.9 94.8 80 157 A I E -bd 4 116A 0 -77,-1.4 -75,-2.3 35,-0.2 2,-0.4 -0.995 69.1-162.2-139.2 138.7 17.5 42.3 93.7 81 158 A I E -bd 5 117A 0 35,-2.5 37,-3.0 -2,-0.3 2,-0.5 -0.994 7.2-153.9-125.8 128.0 20.8 42.6 95.5 82 159 A F E -bd 6 118A 1 -77,-2.9 -75,-2.9 -2,-0.4 2,-0.7 -0.886 7.4-148.4 -98.1 126.1 23.7 44.9 94.5 83 160 A I E +bd 7 119A 0 35,-2.7 37,-2.5 -2,-0.5 38,-1.7 -0.856 32.4 157.9 -88.5 113.3 27.3 44.0 95.4 84 161 A A + 0 0 8 -77,-2.5 -71,-0.6 -2,-0.7 -74,-0.3 -0.049 21.7 138.1-128.5 31.9 28.8 47.5 95.8 85 162 A V - 0 0 22 1,-0.1 37,-0.2 -77,-0.1 15,-0.1 -0.221 59.4 -80.8 -75.6 165.5 31.8 46.6 98.0 86 163 A G - 0 0 48 35,-0.1 14,-0.3 1,-0.1 13,-0.3 -0.269 28.0-166.5 -66.8 150.2 35.4 48.0 97.7 87 164 A T + 0 0 8 12,-0.1 3,-0.1 11,-0.1 10,-0.1 -0.551 24.3 176.7-129.0 67.4 37.9 46.6 95.1 88 165 A P - 0 0 51 0, 0.0 8,-2.5 0, 0.0 2,-0.1 -0.166 41.8 -78.0 -68.1 167.5 41.1 48.2 96.4 89 166 A A B -H 95 0B 56 6,-0.2 6,-0.2 177,-0.1 5,-0.1 -0.425 46.1-137.6 -62.6 131.7 44.5 47.5 94.9 90 167 A G > - 0 0 21 4,-3.1 3,-1.8 -2,-0.1 6,-0.1 -0.335 36.6 -88.3 -74.8 172.3 46.0 44.2 95.9 91 168 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.813 129.2 43.7 -52.5 -34.4 49.8 43.9 96.8 92 169 A D T 3 S- 0 0 61 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.279 122.6-100.4 -98.7 11.1 50.7 43.2 93.1 93 170 A G S < S+ 0 0 8 -3,-1.8 184,-0.2 1,-0.3 -2,-0.1 0.236 83.8 123.1 92.7 -16.4 48.5 45.9 91.6 94 171 A S S S- 0 0 39 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.396 77.1 -84.1 -72.5 158.3 45.6 43.7 90.5 95 172 A A B -H 89 0B 15 -6,-0.2 2,-0.8 179,-0.2 -6,-0.2 -0.426 40.9-126.2 -61.9 128.0 42.1 44.3 91.8 96 173 A D - 0 0 48 -8,-2.5 3,-0.3 -2,-0.2 4,-0.3 -0.732 28.6-178.3 -80.2 111.0 41.6 42.7 95.2 97 174 A M > + 0 0 24 -2,-0.8 4,-2.7 1,-0.2 5,-0.3 0.376 51.0 104.3 -92.0 6.3 38.4 40.6 94.7 98 175 A S H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 81.5 43.8 -62.6 -39.4 38.3 39.3 98.3 99 176 A Y H > S+ 0 0 122 -3,-0.3 4,-2.2 -13,-0.3 -1,-0.2 0.910 113.8 51.6 -73.7 -39.4 35.4 41.6 99.5 100 177 A V H > S+ 0 0 0 -14,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.926 113.3 43.5 -61.3 -49.7 33.3 41.0 96.3 101 178 A L H X S+ 0 0 27 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.835 109.3 57.8 -69.8 -32.3 33.7 37.2 96.6 102 179 A D H X S+ 0 0 85 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.923 109.6 45.6 -57.3 -46.3 33.0 37.3 100.4 103 180 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.9 53.0 -61.2 -44.6 29.6 39.0 99.6 104 181 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 109.5 48.3 -60.9 -48.1 28.9 36.5 96.8 105 182 A R H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.905 110.1 52.0 -58.4 -41.7 29.5 33.5 99.2 106 183 A S H X S+ 0 0 25 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.893 108.8 51.1 -61.4 -39.0 27.2 35.1 101.8 107 184 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.938 110.6 48.1 -62.6 -49.3 24.4 35.5 99.2 108 185 A G H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.1 53.6 -59.9 -33.6 24.7 31.8 98.2 109 186 A R H < S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.823 118.6 33.4 -71.4 -29.6 24.6 30.8 101.9 110 187 A A H < S+ 0 0 13 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.522 82.0 128.1-105.0 -10.4 21.3 32.8 102.5 111 188 A M < + 0 0 0 -4,-1.5 3,-0.1 1,-0.1 -36,-0.0 -0.225 22.3 169.0 -57.3 138.5 19.4 32.5 99.2 112 189 A S - 0 0 66 1,-0.3 2,-0.3 -37,-0.2 -1,-0.1 0.541 64.2 -4.7-122.0 -17.2 15.9 31.2 99.7 113 190 A R S S- 0 0 105 34,-0.1 -1,-0.3 33,-0.1 33,-0.1 -0.896 103.0 -39.2-166.5 172.9 14.3 31.9 96.2 114 191 A Y + 0 0 38 -2,-0.3 2,-0.3 -3,-0.1 34,-0.2 -0.232 62.2 168.1 -48.4 134.9 15.1 33.4 92.8 115 192 A I E - e 0 148A 2 32,-0.5 34,-1.6 -4,-0.0 2,-0.5 -0.984 33.4-128.1-147.6 151.5 17.1 36.7 93.2 116 193 A L E -de 80 149A 0 -37,-1.4 -35,-2.5 -2,-0.3 2,-0.6 -0.923 20.4-156.4 -99.6 124.2 19.0 38.9 90.7 117 194 A I E -de 81 150A 0 32,-2.8 34,-2.2 -2,-0.5 2,-0.5 -0.914 10.1-169.6-102.3 118.2 22.6 39.6 91.8 118 195 A V E -de 82 151A 1 -37,-3.0 -35,-2.7 -2,-0.6 2,-0.8 -0.933 12.9-147.4-111.4 124.4 24.0 42.8 90.3 119 196 A T E +de 83 152A 8 32,-2.6 34,-2.5 -2,-0.5 -35,-0.2 -0.827 28.0 162.3 -94.7 110.8 27.7 43.6 90.6 120 197 A K + 0 0 3 -37,-2.5 35,-0.8 -2,-0.8 -36,-0.2 0.617 46.8 102.5 -97.6 -22.3 28.1 47.4 90.8 121 198 A S S S- 0 0 9 -38,-1.7 2,-0.8 33,-0.1 32,-0.2 -0.220 89.3 -99.9 -53.9 151.3 31.7 47.1 92.2 122 199 A T + 0 0 20 -37,-0.2 -1,-0.1 32,-0.1 -2,-0.1 -0.707 57.3 170.0 -81.4 111.0 34.5 47.7 89.7 123 200 A V - 0 0 6 -2,-0.8 89,-0.2 -4,-0.1 88,-0.1 -0.967 35.2-100.6-130.9 141.7 35.7 44.3 88.8 124 201 A P > - 0 0 19 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.133 54.3 -80.9 -59.0 153.5 38.0 42.9 86.2 125 202 A V T 3 S+ 0 0 23 1,-0.3 80,-0.1 2,-0.1 81,-0.1 -0.284 121.1 29.8 -54.5 132.3 36.7 41.3 83.0 126 203 A G T >> S+ 0 0 7 -3,-0.1 3,-1.5 539,-0.1 4,-0.9 0.218 82.8 117.8 100.1 -11.8 35.6 37.7 83.7 127 204 A S H <> + 0 0 5 -3,-2.3 4,-2.4 1,-0.3 3,-0.3 0.833 63.6 67.1 -57.5 -33.3 34.7 38.5 87.3 128 205 A Y H 3> S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.817 96.8 56.4 -60.2 -30.1 31.1 37.6 86.8 129 206 A R H <> S+ 0 0 138 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.916 109.0 45.0 -68.2 -42.6 32.2 33.9 86.2 130 207 A L H X S+ 0 0 70 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.859 114.0 49.9 -64.7 -39.7 34.0 33.8 89.6 131 208 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.942 111.5 47.6 -65.3 -48.1 31.0 35.4 91.3 132 209 A R H X S+ 0 0 73 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.933 113.0 49.5 -56.9 -46.8 28.5 33.0 89.7 133 210 A K H X S+ 0 0 105 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 109.4 51.0 -62.9 -39.3 30.7 30.0 90.7 134 211 A A H X S+ 0 0 7 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.900 113.1 45.2 -67.5 -39.4 31.1 31.2 94.3 135 212 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.947 114.1 49.0 -66.6 -49.5 27.3 31.6 94.7 136 213 A Q H X S+ 0 0 61 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.857 105.8 57.0 -63.1 -38.0 26.6 28.3 93.1 137 214 A E H X S+ 0 0 100 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.885 107.1 49.2 -58.8 -39.0 29.1 26.4 95.2 138 215 A E H X S+ 0 0 12 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.859 109.8 50.5 -68.6 -35.7 27.3 27.6 98.4 139 216 A L H <>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-0.4 0.930 111.4 50.0 -65.7 -42.3 24.0 26.5 97.0 140 217 A D H ><5S+ 0 0 95 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.900 106.7 53.5 -60.8 -47.2 25.6 23.1 96.2 141 218 A K H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.5 46.0 -56.4 -36.2 27.0 22.8 99.8 142 219 A R T 3<5S- 0 0 93 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.546 107.6-131.4 -80.2 -12.3 23.5 23.4 101.0 143 220 A E T < 5 + 0 0 177 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.883 58.9 140.7 54.7 43.9 22.1 20.8 98.5 144 221 A V < - 0 0 39 -5,-2.1 2,-0.6 2,-0.1 -1,-0.2 -0.818 49.3-143.9-112.9 156.5 19.4 23.4 97.4 145 222 A L + 0 0 179 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.0 -0.882 37.2 155.8-122.9 90.7 18.1 24.0 93.9 146 223 A I - 0 0 29 -2,-0.6 2,-0.1 -33,-0.1 -33,-0.1 -0.980 34.8-133.3-126.7 128.4 17.5 27.7 93.6 147 224 A D + 0 0 99 -2,-0.4 -32,-0.5 -33,-0.0 2,-0.3 -0.414 32.8 158.8 -77.7 152.5 17.5 29.8 90.5 148 225 A F E -e 115 0A 2 -34,-0.2 2,-0.3 -2,-0.1 -32,-0.2 -0.963 26.4-141.8-162.7 161.2 19.3 33.1 90.1 149 226 A D E -e 116 0A 20 -34,-1.6 -32,-2.8 -2,-0.3 2,-0.3 -0.936 10.8-149.1-125.9 154.0 20.7 35.5 87.6 150 227 A I E +e 117 0A 3 -2,-0.3 27,-0.5 -34,-0.2 2,-0.3 -0.917 18.9 173.1-116.9 149.8 23.9 37.6 87.6 151 228 A A E -eF 118 176A 3 -34,-2.2 -32,-2.6 -2,-0.3 2,-0.4 -0.965 26.1-129.3-146.7 164.8 24.4 41.0 86.0 152 229 A S E +eF 119 175A 5 23,-2.4 23,-3.2 -2,-0.3 -32,-0.2 -0.969 26.1 165.9-117.8 136.6 27.0 43.8 85.8 153 230 A N - 0 0 2 -34,-2.5 21,-0.2 -2,-0.4 -35,-0.0 -0.622 20.7-162.0-146.8 77.6 26.0 47.4 86.4 154 231 A P - 0 0 4 0, 0.0 19,-0.4 0, 0.0 2,-0.4 -0.140 15.6-123.8 -64.5 160.3 29.1 49.4 86.9 155 232 A E - 0 0 19 -35,-0.8 17,-0.1 1,-0.1 -143,-0.1 -0.867 23.8-178.0-108.5 144.5 28.9 52.8 88.5 156 233 A F + 0 0 22 -2,-0.4 -1,-0.1 15,-0.1 10,-0.0 0.314 38.7 125.2-123.0 10.6 30.1 56.1 87.0 157 234 A L - 0 0 22 1,-0.1 2,-0.3 5,-0.0 5,-0.1 -0.320 50.2-138.1 -69.8 151.7 29.3 58.7 89.7 158 235 A K > - 0 0 55 3,-0.2 3,-1.6 -147,-0.0 7,-0.2 -0.842 26.5 -98.9-106.3 151.5 32.2 61.0 91.0 159 236 A E T 3 S+ 0 0 21 -2,-0.3 172,-0.1 1,-0.2 -1,-0.0 -0.386 110.2 30.8 -61.3 140.2 32.7 61.9 94.6 160 237 A G T 3 S+ 0 0 15 170,-0.2 -1,-0.2 -2,-0.0 171,-0.0 0.104 125.6 45.3 96.0 -24.5 31.3 65.4 95.3 161 238 A N S <> S+ 0 0 49 -3,-1.6 4,-2.2 -112,-0.1 -3,-0.2 -0.056 74.1 128.8-132.3 38.6 28.6 65.1 92.7 162 239 A A H > + 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.868 69.0 46.6 -74.0 -43.9 27.3 61.6 93.5 163 240 A I H > S+ 0 0 25 -113,-0.4 4,-2.8 2,-0.2 5,-0.3 0.941 115.7 45.8 -63.9 -49.7 23.5 62.1 93.9 164 241 A D H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.908 113.8 49.8 -59.3 -41.8 23.2 64.2 90.8 165 242 A D H < S+ 0 0 27 -4,-2.2 -1,-0.2 -7,-0.2 -2,-0.2 0.851 115.6 43.6 -64.1 -37.5 25.4 61.7 88.8 166 243 A F H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.908 117.7 42.9 -74.1 -40.1 23.3 58.8 90.1 167 244 A M H < S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.775 129.4 25.4 -83.3 -27.3 19.9 60.4 89.6 168 245 A K S < S+ 0 0 129 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.467 83.4 175.1-134.5 66.7 20.6 61.9 86.1 169 246 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 29,-0.1 -0.347 40.8-127.5 -77.7 147.1 23.3 59.8 84.6 170 247 A D S S- 0 0 77 1,-0.2 2,-0.3 -5,-0.1 508,-0.1 0.894 91.5 -21.6 -57.2 -36.4 24.6 60.3 81.1 171 248 A R - 0 0 11 2,-0.0 2,-0.4 503,-0.0 -1,-0.2 -0.971 59.1-128.7-159.1 167.5 23.9 56.6 80.6 172 249 A V E - g 0 199A 11 26,-2.2 28,-3.1 -2,-0.3 2,-0.5 -0.998 22.9-151.2-124.2 126.7 23.4 53.4 82.6 173 250 A V E - g 0 200A 0 -2,-0.4 2,-0.4 -19,-0.4 28,-0.2 -0.898 16.0-179.5-103.7 130.1 25.5 50.4 81.5 174 251 A V E - g 0 201A 0 26,-2.6 28,-2.1 -2,-0.5 2,-0.5 -0.990 15.0-160.8-135.2 122.7 24.2 46.9 82.1 175 252 A G E +Fg 152 202A 0 -23,-3.2 -23,-2.4 -2,-0.4 2,-0.3 -0.899 25.1 165.9 -99.9 126.2 25.8 43.6 81.2 176 253 A V E -F 151 0A 21 26,-2.5 28,-0.2 -2,-0.5 -25,-0.1 -0.971 34.0-170.7-136.5 156.6 23.3 40.7 81.1 177 254 A D S S+ 0 0 91 -27,-0.5 2,-0.3 -2,-0.3 3,-0.1 0.109 74.3 57.9-127.5 17.8 23.2 37.1 79.9 178 255 A S S > S- 0 0 26 1,-0.1 4,-1.6 -28,-0.1 5,-0.1 -0.995 71.5-132.4-145.2 149.6 19.5 36.5 80.4 179 256 A D H > S+ 0 0 129 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.876 109.3 57.5 -60.4 -42.3 16.1 37.9 79.3 180 257 A R H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 106.7 46.7 -59.1 -44.0 15.0 37.8 82.9 181 258 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 111.6 51.9 -65.4 -40.6 17.8 40.0 84.1 182 259 A R H X S+ 0 0 124 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.944 112.1 46.1 -60.2 -48.7 17.2 42.4 81.2 183 260 A E H X S+ 0 0 128 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.935 113.4 47.9 -59.2 -49.8 13.5 42.7 82.1 184 261 A L H X S+ 0 0 48 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.903 114.9 45.9 -59.3 -42.2 14.0 43.2 85.8 185 262 A I H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.869 110.7 53.2 -70.4 -35.6 16.7 45.8 85.3 186 263 A T H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.945 109.5 48.5 -61.5 -48.5 14.6 47.6 82.7 187 264 A S H < S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.815 110.4 53.0 -65.1 -28.4 11.7 47.8 85.1 188 265 A L H < S+ 0 0 1 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.950 120.2 29.3 -68.5 -48.7 14.0 49.1 87.9 189 266 A Y H >X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 3,-1.0 0.688 98.6 82.2 -91.1 -20.7 15.5 52.0 85.8 190 267 A K T 3< S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.1 0.918 93.5 49.0 -52.7 -46.8 12.6 52.9 83.5 191 268 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.732 113.2 48.6 -65.2 -21.3 10.8 55.0 86.1 192 269 A M T <4 S+ 0 0 13 -3,-1.0 2,-1.8 -4,-0.3 3,-0.2 0.858 99.5 65.5 -82.2 -38.2 14.0 56.9 86.9 193 270 A L < + 0 0 8 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 -0.387 57.3 155.5 -93.4 62.5 15.1 57.8 83.4 194 271 A L + 0 0 47 -2,-1.8 -1,-0.2 -3,-0.2 3,-0.2 0.790 67.5 55.2 -61.6 -31.1 12.3 60.1 82.4 195 272 A N S S- 0 0 38 1,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.904 130.1 -26.0 -70.7 -40.0 14.2 62.0 79.7 196 273 A N - 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0 0 58 -25,-0.2 4,-1.7 -2,-0.2 -23,-0.2 -0.391 52.1-108.5 -69.7 162.6 47.9 85.0 71.5 633 281 B I H > S+ 0 0 3 -25,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 115.2 51.3 -63.4 -49.8 49.8 83.7 68.5 634 282 B A H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 109.5 52.0 -52.8 -42.0 51.9 81.0 70.3 635 283 B S H > S+ 0 0 0 2,-0.2 4,-2.2 -399,-0.2 -1,-0.2 0.866 108.3 50.0 -68.5 -36.1 48.7 79.5 71.9 636 284 B A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.931 111.4 49.8 -64.8 -44.3 46.9 79.3 68.5 637 285 B E H X S+ 0 0 6 -4,-2.3 4,-1.2 1,-0.2 3,-0.3 0.935 113.1 45.5 -59.0 -48.4 50.0 77.5 67.0 638 286 B M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.859 104.4 64.4 -61.8 -36.7 50.0 75.0 69.9 639 287 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.888 98.9 53.2 -56.5 -42.8 46.2 74.5 69.7 640 288 B K H X S+ 0 0 10 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.945 113.3 41.5 -62.7 -44.9 46.6 72.9 66.2 641 289 B Y H X S+ 0 0 2 -4,-1.2 4,-3.0 1,-0.2 -2,-0.2 0.928 113.9 52.2 -67.2 -43.1 49.1 70.4 67.3 642 290 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.877 110.1 49.7 -59.7 -40.8 47.4 69.6 70.6 643 291 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.948 114.0 43.8 -60.9 -52.6 44.1 68.9 68.8 644 292 B N H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.904 114.2 51.6 -63.7 -41.6 45.6 66.6 66.3 645 293 B A H X S+ 0 0 1 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.865 107.4 51.8 -63.4 -36.0 47.6 64.9 69.0 646 294 B M H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 109.2 50.6 -70.3 -37.0 44.5 64.3 71.2 647 295 B L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 110.3 48.2 -65.2 -44.3 42.7 62.7 68.3 648 296 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.910 110.2 55.5 -57.5 -39.6 45.6 60.4 67.6 649 297 B T H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.896 103.9 52.2 -61.3 -40.5 45.6 59.7 71.3 650 298 B R H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.901 111.5 47.6 -61.9 -42.6 42.0 58.6 71.2 651 299 B I H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.957 113.6 44.4 -67.2 -52.8 42.7 56.2 68.4 652 300 B S H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.910 112.8 54.1 -61.0 -39.3 45.8 54.6 70.0 653 301 B F H X S+ 0 0 2 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.949 111.5 44.2 -53.0 -51.2 44.0 54.4 73.3 654 302 B M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.839 109.8 56.6 -68.0 -29.1 41.1 52.5 71.7 655 303 B N H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 107.5 47.4 -68.3 -41.8 43.5 50.3 69.7 656 304 B D H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 113.5 49.2 -62.5 -42.1 45.1 49.1 73.0 657 305 B V H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.942 110.7 50.2 -62.9 -45.5 41.7 48.5 74.4 658 306 B A H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.922 110.3 49.7 -57.3 -46.0 40.6 46.6 71.3 659 307 B N H X S+ 0 0 10 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.887 112.9 46.3 -63.4 -39.3 43.7 44.4 71.4 660 308 B L H >X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 3,-1.3 0.932 106.5 59.5 -64.2 -44.5 43.1 43.6 75.0 661 309 B C H 3X>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.3 4,-1.1 0.875 100.6 57.2 -49.7 -39.2 39.3 43.0 74.3 662 310 B E H 3<5S+ 0 0 79 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.805 108.1 45.4 -63.3 -34.3 40.4 40.2 72.0 663 311 B R H <<5S+ 0 0 126 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.722 118.8 40.0 -83.3 -23.5 42.3 38.4 74.7 664 312 B V H <5S- 0 0 23 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.374 110.1-109.6-110.4 4.6 39.7 38.7 77.4 665 313 B G T <5 + 0 0 59 -4,-1.1 2,-0.3 1,-0.3 -459,-0.2 0.820 69.0 138.4 72.2 31.5 36.5 38.0 75.4 666 314 B A < - 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