==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JAN-13 4IXC . COMPND 2 MOLECULE: GLUCOKINASE ISOFORM 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.OGG,D.HARGREAVES,S.GERHARDT . 443 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 1 0 1 1 2 0 0 3 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 13 A N > 0 0 129 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.7 73.4 55.3 -15.3 2 14 A S H > + 0 0 104 1,-0.2 4,-0.9 2,-0.2 3,-0.0 0.950 360.0 36.4 -32.7 -63.3 70.7 57.7 -14.5 3 15 A Q H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.713 110.3 60.5 -81.5 -27.8 68.1 55.4 -16.2 4 16 A V H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.961 104.6 51.5 -53.3 -52.5 69.7 52.1 -15.2 5 17 A E H X S+ 0 0 58 -4,-2.3 4,-0.9 1,-0.3 -2,-0.2 0.734 109.9 47.5 -69.4 -25.6 69.2 53.0 -11.5 6 18 A Q H < S+ 0 0 120 -4,-0.9 4,-0.5 2,-0.2 -1,-0.3 0.747 111.8 49.3 -85.5 -26.7 65.5 53.9 -11.9 7 19 A I H >< S+ 0 0 10 -4,-1.5 3,-1.0 -3,-0.4 -2,-0.2 0.924 115.5 45.6 -69.4 -42.1 64.8 50.7 -13.8 8 20 A L H >< S+ 0 0 3 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.786 101.1 69.1 -66.0 -28.5 66.6 48.9 -11.0 9 21 A A G >< S+ 0 0 34 -4,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.686 77.9 78.4 -66.3 -22.1 64.7 51.0 -8.4 10 22 A E G < S+ 0 0 86 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.1 0.664 88.4 60.9 -56.7 -17.7 61.4 49.2 -9.3 11 23 A F G < S+ 0 0 7 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.545 79.9 110.1 -89.5 -10.4 62.8 46.3 -7.1 12 24 A Q < - 0 0 119 -3,-1.8 2,-0.4 -4,-0.1 347,-0.0 -0.374 50.6-162.6 -67.0 140.7 63.1 48.4 -3.9 13 25 A L - 0 0 25 -2,-0.1 2,-0.1 4,-0.0 -2,-0.0 -0.985 11.9-141.6-125.6 124.8 60.6 47.5 -1.2 14 26 A Q >> - 0 0 109 -2,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.307 30.6-102.9 -76.0 159.1 60.1 50.1 1.6 15 27 A A H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 124.6 54.2 -41.1 -45.2 59.7 49.2 5.2 16 28 A A H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.825 105.7 50.9 -71.3 -31.8 56.0 49.9 4.7 17 29 A D H <> S+ 0 0 42 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.926 110.8 49.4 -64.4 -43.7 55.8 47.5 1.8 18 30 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.867 110.2 49.7 -70.7 -36.4 57.5 44.8 3.9 19 31 A K H X S+ 0 0 87 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.841 109.2 52.6 -66.3 -37.3 55.2 45.3 6.8 20 32 A K H X S+ 0 0 101 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.963 112.0 45.5 -61.3 -46.5 52.2 45.1 4.6 21 33 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 112.3 52.2 -60.4 -47.6 53.5 41.7 3.1 22 34 A M H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 111.4 45.2 -55.6 -47.6 54.3 40.5 6.6 23 35 A R H X S+ 0 0 139 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.849 112.0 50.7 -68.7 -34.5 50.8 41.2 7.9 24 36 A R H X S+ 0 0 91 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.911 108.7 53.0 -70.1 -37.7 49.1 39.7 4.9 25 37 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 108.2 51.4 -59.9 -45.1 51.2 36.6 5.3 26 38 A Q H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.866 110.0 48.1 -60.7 -38.9 50.0 36.4 8.9 27 39 A K H X S+ 0 0 122 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.863 111.9 49.8 -68.6 -35.3 46.4 36.7 7.9 28 40 A E H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 15,-0.2 0.914 109.6 52.6 -69.5 -34.3 46.9 33.9 5.2 29 41 A M H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.918 109.4 48.6 -62.7 -45.0 48.5 31.7 7.8 30 42 A D H X S+ 0 0 41 -4,-1.8 4,-1.1 1,-0.2 3,-0.3 0.912 110.2 50.4 -64.7 -43.7 45.6 32.2 10.0 31 43 A R H < S+ 0 0 63 -4,-2.2 6,-0.3 1,-0.2 3,-0.2 0.860 108.5 53.6 -54.1 -41.5 43.2 31.4 7.1 32 44 A G H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 107.2 51.1 -71.7 -28.9 45.1 28.2 6.3 33 45 A L H < S+ 0 0 5 -4,-1.5 195,-1.0 -3,-0.3 196,-0.4 0.728 94.6 82.4 -74.4 -27.9 44.8 26.9 9.9 34 46 A R S X S- 0 0 112 -4,-1.1 4,-2.2 -3,-0.2 3,-0.4 -0.621 73.6-138.5 -87.7 135.3 41.0 27.4 10.4 35 47 A L H > S+ 0 0 113 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.913 102.3 59.7 -57.5 -38.1 38.6 24.7 9.0 36 48 A E H 4 S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.895 123.5 18.1 -61.6 -38.6 36.2 27.4 7.7 37 49 A T H > S+ 0 0 30 -3,-0.4 4,-0.9 -6,-0.3 3,-0.5 0.491 95.5 97.8-112.3 -3.5 38.9 28.9 5.4 38 50 A H H >< S+ 0 0 39 -4,-2.2 3,-1.2 1,-0.2 -3,-0.1 0.884 81.1 55.9 -54.5 -48.6 41.5 26.2 5.0 39 51 A A T 3< S+ 0 0 100 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.876 115.5 36.9 -63.9 -32.4 40.2 24.8 1.7 40 52 A A T 34 S+ 0 0 72 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.473 90.4 117.7 -94.7 0.3 40.4 28.3 0.0 41 53 A A << - 0 0 9 -3,-1.2 3,-0.1 -4,-0.9 -13,-0.1 -0.437 53.5-155.4 -67.1 134.3 43.7 29.4 1.7 42 54 A S S S+ 0 0 10 1,-0.2 2,-0.9 -2,-0.1 203,-0.2 0.810 92.3 61.0 -74.0 -29.0 46.6 30.1 -0.6 43 55 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 199,-0.2 -0.879 79.4-164.5-101.0 100.7 48.9 29.4 2.4 44 56 A K - 0 0 36 -2,-0.9 198,-0.2 198,-0.3 -1,-0.1 0.719 6.4-156.7 -69.8 -28.2 48.0 25.9 3.2 45 57 A M - 0 0 2 196,-1.7 196,-0.2 1,-0.2 197,-0.1 0.936 22.7-159.0 54.2 54.6 49.5 25.4 6.8 46 58 A L E -A 240 0A 6 194,-2.2 194,-2.6 1,-0.1 -1,-0.2 -0.524 14.3-122.4 -77.1 122.4 49.6 21.6 6.4 47 59 A P E -A 239 0A 12 0, 0.0 95,-0.7 0, 0.0 192,-0.2 -0.358 22.6-170.0 -59.5 133.8 49.8 19.5 9.5 48 60 A T E - 0 0 2 190,-1.7 140,-0.2 2,-0.2 191,-0.1 0.521 31.9-127.0-102.0 -11.1 52.9 17.3 9.5 49 61 A Y E + 0 0 57 189,-0.3 2,-0.7 1,-0.3 96,-0.2 0.607 68.3 132.5 62.2 12.7 52.2 15.0 12.5 50 62 A V E - 0 0 15 188,-0.4 188,-3.0 94,-0.1 2,-0.3 -0.873 40.5-171.2 -90.2 121.5 55.6 16.0 13.9 51 63 A R E -A 237 0A 114 -2,-0.7 186,-0.2 186,-0.2 2,-0.1 -0.817 31.7-100.3-115.4 154.5 54.8 16.8 17.6 52 64 A S + 0 0 61 184,-2.0 184,-0.1 -2,-0.3 -1,-0.0 -0.441 58.7 157.1 -64.1 138.2 56.6 18.4 20.6 53 65 A T - 0 0 70 -2,-0.1 3,-0.1 182,-0.1 182,-0.0 -0.965 49.2 -69.7-162.0 154.9 57.6 15.4 22.6 54 66 A P - 0 0 106 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.274 67.0 -94.4 -50.4 141.8 60.2 14.5 25.4 55 67 A E S S+ 0 0 112 2,-0.0 2,-0.2 -3,-0.0 -3,-0.0 -0.314 79.9 69.0 -68.3 143.1 63.7 14.4 23.9 56 68 A G - 0 0 18 -3,-0.1 2,-0.3 2,-0.1 388,-0.1 -0.460 46.0-159.0 131.0 159.7 65.2 11.2 22.7 57 69 A S - 0 0 17 -2,-0.2 384,-0.2 386,-0.1 2,-0.1 -0.895 41.1 -64.3-150.2 175.2 64.9 8.5 20.1 58 70 A E - 0 0 87 382,-2.2 2,-0.3 -2,-0.3 386,-0.1 -0.456 50.9-123.8 -58.2 151.4 65.7 5.0 19.4 59 71 A V + 0 0 76 -2,-0.1 2,-0.3 19,-0.1 21,-0.2 -0.744 66.2 64.1 -96.0 142.3 69.4 4.1 19.3 60 72 A G E S-F 79 0B 26 19,-2.4 19,-3.1 -2,-0.3 2,-0.4 -0.932 85.8 -36.8 144.4-166.2 70.7 2.5 16.1 61 73 A D E -F 78 0B 41 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.812 49.0-176.9 -98.1 139.4 71.1 3.0 12.4 62 74 A F E -F 77 0B 6 15,-2.3 15,-2.8 -2,-0.4 2,-0.3 -0.992 16.4-140.2-137.2 132.2 68.6 4.9 10.3 63 75 A L E -Fg 76 132B 1 68,-2.9 70,-2.7 -2,-0.4 2,-0.4 -0.711 15.3-164.0 -91.6 149.4 68.5 5.6 6.5 64 76 A S E -Fg 75 133B 1 11,-2.3 11,-2.4 -2,-0.3 2,-0.4 -0.999 7.7-166.0-130.6 134.9 67.4 8.9 5.1 65 77 A L E -Fg 74 134B 1 68,-2.3 70,-3.3 -2,-0.4 2,-0.5 -0.955 7.5-165.5-113.4 136.0 66.4 9.8 1.5 66 78 A D E +Fg 73 135B 20 7,-2.4 7,-1.7 -2,-0.4 2,-0.5 -0.925 11.9 172.0-127.0 104.4 66.2 13.5 0.6 67 79 A L E + g 0 136B 0 68,-3.1 70,-2.9 -2,-0.5 124,-0.1 -0.961 30.3 117.3-113.5 117.9 64.3 14.4 -2.7 68 80 A G S S+ 0 0 13 -2,-0.5 2,-0.3 1,-0.5 -1,-0.1 0.388 75.0 10.8-157.6 -2.6 63.7 18.0 -3.4 69 81 A G S S- 0 0 17 2,-0.4 -1,-0.5 -3,-0.2 68,-0.1 -0.880 96.6 -69.8-156.5-176.8 65.6 18.9 -6.6 70 82 A T S S+ 0 0 70 -2,-0.3 26,-2.7 -3,-0.1 2,-0.5 0.787 119.5 62.4 -50.1 -35.9 67.5 17.3 -9.5 71 83 A N E S+ H 0 95B 83 24,-0.2 -3,-0.4 22,-0.0 -2,-0.4 -0.841 73.1 179.0 -97.3 133.3 70.2 16.4 -7.0 72 84 A F E - H 0 94B 2 22,-3.5 22,-3.1 -2,-0.5 2,-0.4 -0.904 14.6-137.8-137.1 169.7 69.3 14.1 -4.2 73 85 A R E -FH 66 93B 33 -7,-1.7 -7,-2.4 -2,-0.3 2,-0.4 -0.951 8.4-162.7-135.1 136.7 70.9 12.3 -1.3 74 86 A V E -FH 65 92B 1 18,-2.4 18,-2.3 -2,-0.4 2,-0.3 -0.962 24.3-176.0-112.9 139.9 71.0 9.1 0.5 75 87 A M E -FH 64 91B 0 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.5 -0.983 25.1-150.1-141.1 144.1 72.3 9.1 4.1 76 88 A L E -FH 63 90B 11 14,-3.0 14,-2.1 -2,-0.3 2,-0.5 -0.965 22.7-168.6-114.2 124.4 73.1 6.5 6.9 77 89 A V E -FH 62 89B 0 -15,-2.8 -15,-2.3 -2,-0.5 2,-0.6 -0.987 6.6-159.0-124.3 121.3 72.6 8.2 10.3 78 90 A K E -FH 61 88B 100 10,-3.7 10,-2.4 -2,-0.5 2,-0.5 -0.939 5.0-165.0-108.8 115.8 73.9 6.4 13.5 79 91 A V E +FH 60 87B 7 -19,-3.1 -19,-2.4 -2,-0.6 2,-0.3 -0.930 18.4 164.8-105.2 129.8 72.2 7.5 16.8 80 92 A G E - H 0 86B 20 6,-2.6 6,-3.2 -2,-0.5 2,-0.3 -0.912 28.2-133.6-140.9 156.1 74.1 6.5 20.0 81 93 A E E H 0 85B 118 -2,-0.3 4,-0.3 4,-0.3 -2,-0.0 -0.949 360.0 360.0-115.7 147.7 74.0 7.4 23.7 82 94 A G 0 0 98 2,-4.6 -1,-0.1 -2,-0.3 3,-0.1 0.386 360.0 360.0-115.6 360.0 77.1 8.1 25.9 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 98 A Q 0 0 145 0, 0.0 -2,-4.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -78.3 75.3 11.8 26.2 85 99 A W E -H 81 0B 59 -4,-0.3 2,-0.3 -3,-0.1 -4,-0.3 -0.670 360.0-172.8 -82.6 145.9 73.7 11.6 22.7 86 100 A S E -H 80 0B 60 -6,-3.2 -6,-2.6 -2,-0.3 2,-0.4 -0.999 8.4-168.5-135.7 143.7 75.7 11.3 19.6 87 101 A V E -H 79 0B 21 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.992 8.3-179.6-128.6 122.9 74.7 11.4 15.8 88 102 A K E -H 78 0B 152 -10,-2.4 -10,-3.7 -2,-0.4 2,-0.3 -0.980 8.4-161.6-124.5 145.5 77.1 10.4 13.0 89 103 A T E -H 77 0B 40 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.845 17.9-172.1-130.7 149.8 76.4 10.5 9.3 90 104 A K E -H 76 0B 133 -14,-2.1 -14,-3.0 -2,-0.3 2,-0.3 -0.971 23.6-178.6-132.6 140.6 77.6 9.1 5.9 91 105 A H E -H 75 0B 96 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.896 20.4-163.1-135.0 161.8 76.1 10.3 2.7 92 106 A Q E -H 74 0B 38 -18,-2.3 -18,-2.4 -2,-0.3 2,-0.3 -0.966 18.6-139.1-140.2 152.3 76.1 9.9 -1.1 93 107 A M E -H 73 0B 96 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.806 15.8-170.5-110.2 146.0 74.7 12.3 -3.7 94 108 A Y E -H 72 0B 25 -22,-3.1 -22,-3.5 -2,-0.3 2,-0.4 -0.969 13.6-144.4-138.9 145.1 72.9 11.4 -6.9 95 109 A S E -H 71 0B 67 -2,-0.3 -24,-0.2 -24,-0.2 -25,-0.1 -0.918 17.2-138.4-113.1 136.2 71.8 13.5 -9.9 96 110 A I - 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0 0 0 -4,-3.1 3,-1.9 1,-0.1 4,-1.4 -0.202 68.4-122.9 -73.5 150.9 64.0 30.8 -5.0 281 295 A G H 3> S+ 0 0 12 -68,-3.0 4,-0.5 1,-0.3 37,-0.4 0.690 108.5 71.9 -60.8 -24.0 67.2 29.8 -6.8 282 296 A K H 34 S+ 0 0 103 -68,-1.5 -1,-0.3 -69,-0.3 4,-0.1 0.861 118.2 17.7 -51.0 -34.5 65.0 28.1 -9.4 283 297 A Y H <> S+ 0 0 12 -3,-1.9 4,-2.0 -69,-0.2 -2,-0.2 0.485 101.6 83.3-123.3 -14.9 64.0 31.7 -10.6 284 298 A M H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.937 94.5 49.7 -66.1 -44.6 66.5 34.3 -9.3 285 299 A G H X S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.869 112.3 49.5 -60.1 -38.3 69.0 33.8 -12.1 286 300 A E H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.834 106.9 53.3 -72.1 -38.4 66.2 34.1 -14.7 287 301 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.2 0.964 110.9 48.1 -56.0 -49.7 64.8 37.3 -13.2 288 302 A V H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 3,-0.5 0.955 108.4 54.4 -56.9 -51.5 68.3 38.8 -13.5 289 303 A R H 3X S+ 0 0 9 -4,-2.5 4,-2.3 27,-0.2 -1,-0.3 0.866 109.7 47.8 -45.3 -43.6 68.5 37.5 -17.0 290 304 A L H 3X S+ 0 0 19 -4,-1.9 4,-2.0 -3,-0.2 -1,-0.2 0.805 111.0 49.5 -76.6 -30.8 65.3 39.4 -17.8 291 305 A V H S+ 0 0 0 -4,-2.0 5,-3.2 1,-0.2 6,-0.6 0.819 112.3 50.3 -71.6 -32.7 68.6 47.2 -20.0 296 310 A V H ><5S+ 0 0 0 -4,-1.9 3,-3.3 4,-0.2 5,-0.2 0.936 106.0 53.5 -61.5 -52.4 69.9 45.9 -23.4 297 311 A D T 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.391 109.4 50.9 -76.4 3.1 66.7 46.7 -25.3 298 312 A E T 3 5S- 0 0 108 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.226 116.9-119.5-103.8 3.4 67.0 50.2 -24.0 299 313 A N T < 5S+ 0 0 113 -3,-3.3 -3,-0.2 2,-0.2 -2,-0.1 0.896 83.7 116.9 53.9 43.2 70.6 50.3 -25.2 300 314 A L < + 0 0 44 -5,-3.2 2,-0.4 1,-0.2 -4,-0.2 0.326 67.8 52.5-110.4 0.6 71.8 50.9 -21.6 301 315 A L S > S- 0 0 0 -6,-0.6 3,-2.1 -5,-0.2 4,-0.3 -0.992 118.7 -8.0-149.1 133.5 73.8 47.6 -21.6 302 316 A F G > S- 0 0 14 -2,-0.4 3,-1.0 1,-0.3 42,-0.1 0.699 119.5 -68.9 56.4 31.3 76.5 46.0 -23.8 303 317 A H G 3 S- 0 0 152 1,-0.2 -1,-0.3 -4,-0.0 3,-0.1 0.804 91.7 -62.7 49.8 35.6 75.8 48.8 -26.3 304 318 A G G < S+ 0 0 25 -3,-2.1 2,-0.5 1,-0.2 -1,-0.2 0.626 108.5 122.1 71.5 17.1 72.4 47.1 -26.8 305 319 A E < - 0 0 138 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.2 -0.953 40.8-169.4-110.9 124.1 73.8 43.9 -28.2 306 320 A A - 0 0 30 -2,-0.5 37,-0.0 -3,-0.1 36,-0.0 -0.903 20.1-118.8-112.6 145.8 72.9 40.6 -26.4 307 321 A S > - 0 0 16 -2,-0.4 4,-0.7 34,-0.1 5,-0.1 -0.222 26.4-108.1 -70.7 163.6 74.4 37.3 -26.9 308 322 A E T >4 S+ 0 0 153 2,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.909 121.1 49.7 -48.4 -52.0 72.6 34.1 -28.1 309 323 A Q G >4 S+ 0 0 72 32,-0.3 3,-0.6 1,-0.3 6,-0.3 0.756 106.1 54.6 -72.6 -26.6 72.9 32.6 -24.6 310 324 A L G 34 S+ 0 0 1 31,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.634 106.5 53.0 -76.1 -16.3 71.6 35.8 -22.9 311 325 A R G << S+ 0 0 126 -3,-0.8 2,-0.6 -4,-0.7 -1,-0.2 0.369 94.6 96.3 -88.1 -0.5 68.5 35.4 -25.2 312 326 A T S X S- 0 0 69 -3,-0.6 3,-2.0 -5,-0.1 4,-0.3 -0.850 84.3-115.6-101.4 116.5 68.2 31.8 -23.9 313 327 A R T 3 S+ 0 0 136 -2,-0.6 -2,-0.1 1,-0.2 -27,-0.1 -0.224 96.8 9.0 -44.6 122.0 65.8 31.1 -21.0 314 328 A G T 3 S+ 0 0 41 2,-0.1 -1,-0.2 -4,-0.1 4,-0.1 0.398 87.0 118.4 91.0 -0.5 67.7 29.9 -18.0 315 329 A A < + 0 0 21 -3,-2.0 2,-1.2 -6,-0.3 -2,-0.1 0.636 62.8 73.0 -80.5 -15.4 71.3 30.6 -19.1 316 330 A F S S- 0 0 2 -4,-0.3 -27,-0.2 -6,-0.1 -1,-0.2 -0.761 82.1-162.4 -93.6 86.6 71.8 33.0 -16.3 317 331 A E >> - 0 0 86 -2,-1.2 3,-1.5 1,-0.1 4,-1.0 -0.429 27.0-118.0 -72.5 146.9 72.0 30.3 -13.6 318 332 A T H 3> S+ 0 0 22 -37,-0.4 4,-2.2 1,-0.3 5,-0.2 0.750 113.3 66.8 -58.2 -27.4 71.5 31.4 -10.0 319 333 A R H 3> S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.880 97.9 55.8 -63.1 -33.2 75.1 30.3 -9.2 320 334 A F H <> S+ 0 0 10 -3,-1.5 4,-3.2 2,-0.2 5,-0.3 0.927 102.5 54.0 -58.1 -46.9 76.1 33.1 -11.5 321 335 A V H X S+ 0 0 0 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.958 111.8 45.3 -54.3 -53.5 74.1 35.6 -9.4 322 336 A S H X S+ 0 0 13 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.889 114.3 48.4 -53.8 -42.7 76.1 34.4 -6.3 323 337 A Q H >X S+ 0 0 54 -4,-2.4 3,-1.2 2,-0.2 4,-0.5 0.952 107.8 54.2 -69.2 -47.2 79.4 34.5 -8.1 324 338 A V H >< S+ 0 0 0 -4,-3.2 3,-1.5 1,-0.3 10,-0.2 0.933 111.4 45.4 -42.0 -56.5 78.9 38.0 -9.5 325 339 A E H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.559 100.4 69.1 -74.9 -10.4 78.2 39.3 -6.1 326 340 A S H << 0 0 62 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.542 360.0 360.0 -76.0 -14.7 81.3 37.4 -4.7 327 341 A D << 0 0 27 -3,-1.5 -3,-0.0 -4,-0.5 -4,-0.0 -0.177 360.0 360.0 -51.8 360.0 83.5 39.8 -6.6 328 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 329 343 A G 0 0 87 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 4.8 86.0 44.4 -6.5 330 344 A D - 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