==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-09 3IMX . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.STAMS,B.VASH . 447 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 2 0 1 2 0 0 1 2 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 1 0 1 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 1 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 11 A G > 0 0 69 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.7 9.2 -9.1 37.8 2 12 A P T 3 + 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.205 360.0 23.7 -66.8 157.7 11.9 -8.8 40.5 3 13 A G T 3 S- 0 0 68 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.753 82.1-176.3 59.8 27.7 15.3 -7.2 39.9 4 14 A S < - 0 0 14 -3,-0.7 2,-0.3 4,-0.1 -1,-0.2 -0.286 3.1-174.7 -59.7 138.9 14.0 -5.2 37.0 5 15 A M > - 0 0 128 1,-0.1 4,-2.2 296,-0.0 5,-0.2 -0.957 34.9-117.5-133.7 149.9 16.7 -3.1 35.2 6 16 A V H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.946 115.0 47.0 -53.0 -52.8 16.4 -0.6 32.4 7 17 A E H > S+ 0 0 164 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 110.7 52.3 -58.8 -38.9 18.5 -2.7 29.9 8 18 A Q H 4 S+ 0 0 103 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.861 112.1 46.1 -64.9 -37.4 16.6 -5.9 30.7 9 19 A I H >< S+ 0 0 2 -4,-2.2 3,-0.8 -3,-0.2 -2,-0.2 0.911 115.4 43.9 -73.0 -42.0 13.2 -4.2 30.1 10 20 A L H >< S+ 0 0 12 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.778 103.4 67.5 -74.7 -25.4 14.2 -2.5 26.8 11 21 A A G >< S+ 0 0 37 -4,-1.9 3,-1.9 -5,-0.3 -1,-0.2 0.695 79.3 79.1 -68.3 -19.0 16.0 -5.7 25.7 12 22 A E G < S+ 0 0 75 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.752 87.3 61.4 -58.7 -24.9 12.5 -7.4 25.4 13 23 A F G < S+ 0 0 6 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.574 79.3 115.3 -78.3 -11.7 12.2 -5.6 22.1 14 24 A Q < - 0 0 125 -3,-1.9 2,-0.4 -4,-0.1 346,-0.0 -0.183 46.3-165.2 -61.4 150.8 15.2 -7.2 20.5 15 25 A L - 0 0 23 4,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.972 11.2-145.9-139.4 119.9 14.7 -9.5 17.5 16 26 A Q >> - 0 0 105 -2,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.451 31.4-103.3 -83.7 162.1 17.6 -11.7 16.5 17 27 A E H 3> S+ 0 0 94 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.844 124.9 55.3 -55.0 -35.7 18.2 -12.6 12.8 18 28 A E H 3> S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.856 107.4 50.7 -67.3 -32.1 16.7 -16.0 13.4 19 29 A D H <> S+ 0 0 34 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.930 110.7 47.9 -69.4 -45.1 13.6 -14.2 14.7 20 30 A L H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.895 110.4 51.2 -63.3 -39.5 13.4 -12.0 11.6 21 31 A K H X S+ 0 0 101 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.859 109.9 50.6 -65.0 -34.9 13.8 -14.9 9.2 22 32 A K H X S+ 0 0 77 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.918 111.2 47.4 -68.8 -43.9 11.0 -16.7 11.0 23 33 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 113.4 51.1 -60.6 -43.2 8.7 -13.6 10.6 24 34 A M H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.920 109.5 46.8 -61.2 -49.2 9.8 -13.4 7.0 25 35 A R H X S+ 0 0 131 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.870 112.3 51.4 -65.1 -35.3 9.0 -17.0 6.1 26 36 A R H X S+ 0 0 75 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.861 107.7 52.7 -68.6 -35.2 5.6 -16.8 7.9 27 37 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 108.9 50.0 -65.4 -41.0 4.8 -13.6 5.9 28 38 A Q H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.886 109.9 50.9 -64.5 -37.3 5.6 -15.5 2.7 29 39 A K H X S+ 0 0 102 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.927 111.5 46.9 -66.2 -42.5 3.3 -18.4 3.8 30 40 A E H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 15,-0.2 0.840 109.2 54.9 -69.0 -31.3 0.5 -15.9 4.5 31 41 A M H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.919 108.2 48.3 -66.4 -43.5 1.1 -14.2 1.1 32 42 A D H X S+ 0 0 44 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.912 110.5 52.7 -62.7 -40.8 0.7 -17.5 -0.7 33 43 A R H < S+ 0 0 42 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.841 107.7 50.1 -64.8 -33.6 -2.5 -18.2 1.3 34 44 A G H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.759 110.0 52.1 -76.7 -22.9 -4.0 -14.9 0.4 35 45 A L H < S+ 0 0 5 -4,-1.3 194,-1.0 -3,-0.3 195,-0.4 0.743 93.1 83.2 -82.0 -27.8 -3.3 -15.5 -3.3 36 46 A R S >X S- 0 0 88 -4,-1.3 4,-1.6 1,-0.1 3,-0.7 -0.656 75.4-135.8 -86.1 132.8 -4.9 -19.0 -3.6 37 47 A L T 34 S+ 0 0 104 -2,-0.4 4,-0.4 1,-0.2 -1,-0.1 0.816 102.0 58.6 -50.9 -36.1 -8.6 -19.3 -4.2 38 48 A E T 34 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.862 119.6 23.7 -64.6 -40.8 -8.8 -22.1 -1.6 39 49 A T T X> S+ 0 0 33 -3,-0.7 4,-0.8 -6,-0.2 3,-0.6 0.405 92.9 100.1-108.7 0.8 -7.5 -20.1 1.3 40 50 A H G >< S+ 0 0 36 -4,-1.6 3,-1.1 1,-0.2 -2,-0.1 0.906 79.2 53.6 -54.8 -50.8 -8.2 -16.5 0.3 41 51 A E G 34 S+ 0 0 184 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.784 117.8 36.9 -55.8 -32.5 -11.4 -16.0 2.5 42 52 A E G <4 S+ 0 0 123 -3,-0.6 -1,-0.3 -9,-0.1 -2,-0.2 0.394 90.3 118.5-100.6 -2.8 -9.6 -17.1 5.7 43 53 A A << - 0 0 12 -3,-1.1 3,-0.1 -4,-0.8 -13,-0.0 -0.416 54.5-152.9 -67.3 139.3 -6.2 -15.5 4.9 44 54 A S S S+ 0 0 10 1,-0.2 2,-0.8 -2,-0.1 202,-0.1 0.882 92.9 54.7 -78.0 -41.1 -5.0 -12.8 7.3 45 55 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 198,-0.2 -0.854 79.5-162.3 -93.6 109.7 -2.9 -11.2 4.5 46 56 A K - 0 0 32 -2,-0.8 197,-0.2 197,-0.3 -1,-0.1 0.682 6.3-154.7 -71.6 -21.5 -5.6 -10.6 1.8 47 57 A M - 0 0 1 195,-1.5 195,-0.3 1,-0.2 196,-0.1 0.923 21.9-156.4 44.3 57.7 -3.3 -10.1 -1.3 48 58 A L E -A 241 0A 6 193,-2.2 193,-2.8 192,-0.1 -1,-0.2 -0.453 12.3-124.4 -71.0 122.7 -6.0 -8.0 -3.0 49 59 A P E -A 240 0A 12 0, 0.0 94,-0.6 0, 0.0 191,-0.2 -0.454 20.3-166.1 -64.0 140.1 -5.8 -7.8 -6.8 50 60 A T E - 0 0 2 189,-1.9 139,-0.2 2,-0.2 190,-0.1 0.566 28.2-129.6-104.1 -13.1 -5.7 -4.1 -7.9 51 61 A Y E + 0 0 54 188,-0.4 2,-0.7 1,-0.3 95,-0.2 0.601 66.2 132.3 68.7 14.6 -6.5 -4.6 -11.6 52 62 A V E - 0 0 13 187,-0.4 187,-2.5 93,-0.1 -1,-0.3 -0.875 41.8-165.2 -96.4 114.6 -3.5 -2.4 -12.4 53 63 A R E -A 238 0A 97 -2,-0.7 185,-0.2 185,-0.2 183,-0.1 -0.653 32.7-137.3-106.8 160.8 -1.5 -4.3 -15.1 54 64 A S S S+ 0 0 38 183,-1.9 184,-0.1 -2,-0.2 -1,-0.1 0.619 88.6 81.2 -84.7 -12.3 1.9 -4.2 -16.6 55 65 A T + 0 0 67 182,-0.4 -1,-0.2 180,-0.1 183,-0.0 0.714 51.5 110.1 -73.4 -27.8 0.6 -4.6 -20.1 56 66 A P - 0 0 47 0, 0.0 387,-0.0 0, 0.0 386,-0.0 -0.255 45.9-166.5 -51.8 132.1 -0.7 -1.2 -21.4 57 67 A E + 0 0 197 385,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.509 59.6 40.5-100.6 -6.8 1.7 -0.1 -24.1 58 68 A G + 0 0 35 384,-0.1 2,-0.2 2,-0.0 388,-0.2 -0.932 51.4 178.5-140.3 164.9 0.8 3.6 -24.5 59 69 A S - 0 0 34 -2,-0.3 2,-0.3 386,-0.1 383,-0.1 -0.667 16.8-136.6-141.9-160.2 -0.2 6.7 -22.6 60 70 A E - 0 0 54 -2,-0.2 385,-0.1 2,-0.0 2,-0.1 -0.998 14.0-106.3-164.9 161.7 -1.1 10.3 -23.4 61 71 A V + 0 0 72 -2,-0.3 2,-0.3 19,-0.0 21,-0.2 -0.309 59.1 96.2 -82.8 172.3 -0.7 14.0 -22.5 62 72 A G E S-F 81 0B 24 19,-2.7 19,-3.0 -2,-0.1 2,-0.5 -0.840 72.5 -55.9 139.5-175.0 -3.5 16.0 -20.9 63 73 A D E -F 80 0B 58 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.905 49.4-176.7-106.9 130.8 -4.8 17.3 -17.6 64 74 A F E -F 79 0B 3 15,-2.5 15,-3.2 -2,-0.5 2,-0.2 -0.989 14.0-146.9-133.5 133.7 -5.5 14.9 -14.9 65 75 A L E -Fg 78 133B 0 67,-2.6 69,-2.1 -2,-0.4 2,-0.3 -0.608 11.9-163.1 -95.3 156.9 -7.0 15.3 -11.4 66 76 A S E -Fg 77 134B 0 11,-1.9 11,-2.4 67,-0.2 2,-0.4 -0.999 8.0-165.0-142.3 137.5 -6.0 13.3 -8.3 67 77 A L E -Fg 76 135B 0 67,-2.2 69,-3.5 -2,-0.3 2,-0.5 -0.989 7.2-169.2-120.6 131.0 -7.8 12.8 -4.9 68 78 A D E -Fg 75 136B 30 7,-2.0 7,-1.5 -2,-0.4 2,-0.6 -0.942 6.9-175.3-129.1 107.9 -5.7 11.3 -2.2 69 79 A L E +Fg 74 137B 0 67,-3.3 69,-2.2 -2,-0.5 5,-0.2 -0.926 11.6 157.7-112.7 117.6 -7.7 10.3 0.9 70 80 A G - 0 0 15 3,-1.9 69,-0.1 -2,-0.6 -2,-0.0 -0.278 58.4 -71.3-114.0-159.6 -6.2 9.0 4.1 71 81 A G S S+ 0 0 20 -2,-0.1 88,-0.2 1,-0.1 3,-0.1 0.571 120.7 10.1 -81.0 -7.5 -7.4 8.9 7.7 72 82 A T S S+ 0 0 91 1,-0.4 25,-1.6 86,-0.1 2,-0.3 0.556 124.9 18.3-137.8 -36.1 -7.2 12.6 8.6 73 83 A N E - H 0 96B 62 23,-0.2 -3,-1.9 2,-0.0 -1,-0.4 -0.816 54.4-160.1-132.9 177.2 -6.5 14.8 5.6 74 84 A F E -FH 69 95B 3 21,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.981 6.4-151.9-155.4 151.5 -6.7 14.6 1.9 75 85 A R E -FH 68 94B 41 -7,-1.5 -7,-2.0 -2,-0.3 2,-0.4 -0.960 6.7-144.7-131.1 149.9 -5.2 16.6 -0.9 76 86 A V E -FH 67 93B 0 17,-2.1 17,-1.8 -2,-0.4 2,-0.4 -0.880 20.1-167.7-110.1 143.2 -6.3 17.3 -4.5 77 87 A M E -FH 66 92B 0 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.5 -0.993 17.2-154.5-137.7 137.1 -3.8 17.5 -7.2 78 88 A L E -FH 65 91B 14 13,-2.5 13,-1.9 -2,-0.4 2,-0.5 -0.971 19.5-167.4-109.1 122.0 -3.9 18.8 -10.8 79 89 A V E -FH 64 90B 1 -15,-3.2 -15,-2.5 -2,-0.5 2,-0.6 -0.949 6.3-158.6-114.0 124.5 -1.3 17.0 -12.9 80 90 A K E -FH 63 89B 115 9,-3.7 9,-2.2 -2,-0.5 2,-0.5 -0.907 5.8-166.7-106.5 118.7 -0.4 18.3 -16.4 81 91 A V E +FH 62 88B 13 -19,-3.0 -19,-2.7 -2,-0.6 7,-0.2 -0.904 27.9 135.3-103.9 124.0 1.2 15.8 -18.8 82 92 A G E H 0 87B 17 5,-2.6 5,-1.6 -2,-0.5 -22,-0.0 -0.495 360.0 360.0-139.3-149.3 2.8 17.3 -21.9 83 93 A E 0 0 164 3,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.486 360.0 360.0-139.3 360.0 6.0 17.0 -23.9 84 ! 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 85 98 A Q 0 0 193 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 149.2 9.8 12.9 -23.8 86 99 A W - 0 0 117 -5,-0.0 2,-0.4 -25,-0.0 -3,-0.3 -0.478 360.0-159.5 -78.9 147.1 7.0 13.4 -21.2 87 100 A S E -H 82 0B 39 -5,-1.6 -5,-2.6 -2,-0.2 2,-0.4 -0.992 6.1-166.3-124.8 135.8 6.8 16.4 -19.0 88 101 A V E +H 81 0B 33 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.978 9.2 174.9-128.5 119.6 4.8 16.3 -15.7 89 102 A K E -H 80 0B 143 -9,-2.2 -9,-3.7 -2,-0.4 2,-0.3 -0.985 10.5-164.9-124.7 135.7 3.9 19.4 -13.7 90 103 A T E -H 79 0B 43 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.861 14.9-174.8-124.8 155.6 1.7 19.3 -10.6 91 104 A K E +H 78 0B 127 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.3 -0.934 20.6 173.6-135.2 153.5 -0.3 21.8 -8.5 92 105 A H E -H 77 0B 87 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.966 23.2-154.5-157.5 173.2 -2.1 20.8 -5.2 93 106 A Q E -H 76 0B 98 -17,-1.8 -17,-2.1 -2,-0.3 2,-0.3 -0.972 18.1-136.4-154.3 138.6 -4.0 21.8 -2.1 94 107 A M E -H 75 0B 103 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.784 21.7-179.3-100.7 144.7 -4.4 20.2 1.3 95 108 A Y E -H 74 0B 31 -21,-2.6 -21,-2.5 -2,-0.3 2,-0.4 -0.956 16.8-141.8-137.3 155.3 -7.7 19.9 3.1 96 109 A S E -H 73 0B 70 -2,-0.3 -23,-0.2 -23,-0.2 -2,-0.0 -0.970 22.8-118.2-122.4 134.9 -8.6 18.4 6.4 97 110 A I - 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0 0 76 -2,-1.1 4,-1.2 1,-0.1 3,-1.0 -0.281 27.6-122.5 -69.0 152.4 2.8 11.2 19.8 319 332 A T H 3> S+ 0 0 21 -37,-0.4 4,-2.1 1,-0.3 5,-0.2 0.825 114.6 66.8 -63.6 -27.9 5.0 9.4 17.3 320 333 A R H 3> S+ 0 0 160 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.858 98.5 52.4 -59.0 -34.5 6.2 12.9 16.4 321 334 A F H <> S+ 0 0 26 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.865 104.0 55.4 -69.9 -37.0 7.8 13.1 19.9 322 335 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.957 108.5 48.1 -60.1 -48.8 9.6 9.8 19.3 323 336 A S H < S+ 0 0 17 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.877 111.6 49.6 -58.5 -41.8 11.2 11.1 16.2 324 337 A Q H >< S+ 0 0 48 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.905 108.1 53.6 -66.7 -40.7 12.2 14.3 18.0 325 338 A V H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 10,-0.2 0.941 108.8 49.3 -58.2 -45.7 13.7 12.4 20.9 326 339 A E T 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.530 101.5 63.6 -74.4 -3.3 15.9 10.4 18.5 327 340 A S T < S+ 0 0 44 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.510 73.4 131.2 -94.2 -5.8 17.1 13.5 16.7 328 341 A D < - 0 0 10 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.167 54.4-145.6 -50.2 135.6 18.8 14.8 19.9 329 342 A T - 0 0 120 1,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.729 56.9 -84.7 -78.3 -23.4 22.4 15.9 19.3 330 343 A G S S+ 0 0 45 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.270 114.5 89.6 135.8 -6.9 23.6 14.7 22.6 331 344 A D S S- 0 0 79 0, 0.0 -3,-0.0 0, 0.0 17,-0.0 0.389 90.5-125.1 -98.9 2.4 22.8 17.7 24.8 332 345 A R S > S+ 0 0 87 -7,-0.1 4,-3.4 1,-0.1 5,-0.2 0.463 75.0 122.2 68.9 3.1 19.3 16.5 25.7 333 346 A K H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 74.4 47.4 -63.9 -42.5 17.6 19.7 24.5 334 347 A Q H > S+ 0 0 77 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.933 117.2 44.9 -64.1 -41.0 15.4 17.9 21.9 335 348 A I H >> S+ 0 0 1 -10,-0.2 4,-2.3 1,-0.2 3,-0.9 0.951 111.9 50.0 -67.6 -48.7 14.5 15.4 24.6 336 349 A Y H 3X S+ 0 0 95 -4,-3.4 4,-3.1 1,-0.3 5,-0.4 0.882 104.3 59.6 -56.8 -41.6 13.9 17.9 27.3 337 350 A N H 3X S+ 0 0 84 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.3 0.816 110.6 43.5 -57.2 -32.0 11.6 20.0 25.1 338 351 A I H << S+ 0 0 2 -4,-0.9 4,-0.5 -3,-0.9 -2,-0.2 0.944 116.7 42.9 -79.6 -50.7 9.4 17.0 24.7 339 352 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 3,-1.4 0.905 111.4 53.3 -65.2 -43.4 9.3 15.8 28.4 340 353 A S H ><5S+ 0 0 27 -4,-3.1 3,-2.1 1,-0.3 4,-0.2 0.933 105.1 55.1 -59.0 -44.4 8.9 19.3 29.9 341 354 A T T 3<5S+ 0 0 80 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.655 102.5 59.9 -65.1 -10.8 5.9 20.0 27.7 342 355 A L T < 5S- 0 0 7 -3,-1.4 -31,-0.6 -4,-0.5 -32,-0.3 0.208 126.4 -97.0 -99.4 14.2 4.3 16.7 29.1 343 356 A G T < 5S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.789 81.4 134.9 78.7 28.9 4.4 18.0 32.6 344 357 A L < - 0 0 7 -5,-1.5 -1,-0.3 -4,-0.2 -2,-0.1 -0.838 49.7-155.1-114.6 147.8 7.7 16.3 33.6 345 358 A R - 0 0 173 -2,-0.3 -5,-0.1 -42,-0.1 -9,-0.0 -0.604 35.5-172.5-116.2 66.7 10.7 17.6 35.5 346 359 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.252 18.8-136.7 -67.6 146.7 13.3 15.2 34.0 347 360 A S > - 0 0 55 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.435 35.1-102.7 -89.5 169.5 16.9 14.7 35.0 348 361 A T H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.891 126.4 51.9 -62.5 -37.9 19.6 14.3 32.4 349 362 A T H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 105.1 55.2 -62.8 -43.2 19.6 10.6 33.1 350 363 A D H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.921 106.9 51.3 -55.6 -45.8 15.8 10.4 32.6 351 364 A C H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.908 109.6 49.3 -57.8 -44.4 16.2 12.0 29.2 352 365 A D H X S+ 0 0 36 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.851 111.3 49.4 -65.6 -35.9 18.8 9.4 28.2 353 366 A I H X S+ 0 0 13 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.896 109.0 52.7 -69.2 -39.9 16.6 6.6 29.4 354 367 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.899 109.5 49.8 -63.8 -38.3 13.7 8.0 27.4 355 368 A R H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.928 109.1 49.7 -67.8 -42.4 15.9 8.1 24.3 356 369 A R H X S+ 0 0 113 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.879 110.5 52.1 -65.1 -30.3 17.0 4.5 24.7 357 370 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.897 108.7 49.3 -69.5 -41.3 13.4 3.4 25.1 358 371 A C H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.930 111.3 50.6 -61.8 -43.7 12.4 5.2 21.9 359 372 A E H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.872 107.5 53.3 -62.2 -37.9 15.3 3.5 20.1 360 373 A S H X S+ 0 0 27 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.926 115.1 40.1 -63.5 -46.1 14.2 0.1 21.3 361 374 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.915 118.9 44.7 -70.9 -45.0 10.7 0.6 20.0 362 375 A S H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.848 111.9 52.9 -72.1 -30.0 11.6 2.3 16.7 363 376 A T H X S+ 0 0 36 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.904 108.6 50.6 -69.6 -38.4 14.4 -0.2 16.0 364 377 A R H X S+ 0 0 6 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.894 108.7 52.4 -65.1 -36.6 11.9 -3.1 16.5 365 378 A A H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.929 110.2 47.9 -62.2 -46.7 9.5 -1.4 14.1 366 379 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.911 114.3 46.5 -61.3 -44.5 12.2 -1.1 11.5 367 380 A H H X S+ 0 0 34 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.913 113.2 47.1 -68.2 -41.3 13.3 -4.7 11.9 368 381 A M H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.4 0.938 113.5 50.0 -62.4 -46.9 9.7 -6.2 11.9 369 382 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.877 106.8 55.8 -59.5 -38.5 9.0 -4.1 8.8 370 383 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.838 102.0 55.1 -66.3 -31.9 12.2 -5.3 7.1 371 384 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.885 107.8 51.4 -69.3 -34.7 11.2 -9.0 7.5 372 385 A G H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.967 112.8 43.0 -63.9 -51.9 8.0 -8.2 5.7 373 386 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.871 113.0 52.7 -61.4 -40.6 9.7 -6.4 2.7 374 387 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.931 106.8 54.1 -61.7 -43.0 12.3 -9.2 2.6 375 388 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.871 111.6 44.7 -57.4 -39.9 9.5 -11.7 2.4 376 389 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.936 116.2 45.0 -68.8 -48.5 8.0 -9.8 -0.6 377 390 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.866 113.0 49.4 -66.3 -39.3 11.3 -9.4 -2.4 378 391 A N H X S+ 0 0 25 -4,-3.2 4,-0.6 -5,-0.2 -1,-0.2 0.894 110.9 51.1 -69.8 -35.8 12.5 -12.9 -1.9 379 392 A R H >< S+ 0 0 30 -4,-1.4 3,-1.7 -5,-0.3 -2,-0.2 0.963 110.2 48.8 -62.9 -51.4 9.2 -14.2 -3.1 380 393 A M H >< S+ 0 0 11 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.881 102.4 62.2 -53.9 -43.3 9.4 -12.1 -6.3 381 394 A R H >< S+ 0 0 87 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.716 90.1 70.3 -58.3 -19.9 13.0 -13.3 -6.9 382 395 A E T << S+ 0 0 144 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.410 96.2 53.6 -78.0 3.2 11.5 -16.8 -7.3 383 396 A S T < S+ 0 0 55 -3,-2.3 2,-0.4 -4,-0.1 -1,-0.2 0.136 97.3 76.8-121.3 15.6 9.9 -15.7 -10.5 384 397 A R < - 0 0 57 -3,-1.2 5,-0.1 2,-0.1 0, 0.0 -0.988 63.0-150.3-131.4 141.2 13.1 -14.4 -12.2 385 398 A S + 0 0 118 -2,-0.4 -1,-0.1 3,-0.0 -4,-0.0 0.564 64.0 108.9 -84.2 -10.6 15.9 -16.2 -13.9 386 399 A E - 0 0 88 1,-0.1 3,-0.2 2,-0.0 -2,-0.1 -0.298 68.5-136.4 -67.0 151.2 18.6 -13.6 -13.2 387 400 A D S S+ 0 0 138 1,-0.3 2,-0.6 34,-0.0 -1,-0.1 0.977 98.3 33.9 -69.7 -55.1 21.3 -14.4 -10.6 388 401 A V S S- 0 0 67 33,-0.1 2,-0.5 -3,-0.0 -1,-0.3 -0.893 83.3-145.2-104.7 118.5 21.0 -11.0 -9.1 389 402 A M E - e 0 421A 2 31,-2.6 33,-3.0 -2,-0.6 2,-0.7 -0.720 7.6-152.9 -85.2 125.1 17.5 -9.4 -9.1 390 403 A R E + e 0 422A 140 -2,-0.5 2,-0.4 31,-0.2 33,-0.2 -0.885 28.6 164.0 -98.3 115.1 17.6 -5.6 -9.6 391 404 A I E - e 0 423A 2 31,-2.0 33,-2.2 -2,-0.7 2,-0.4 -0.988 29.0-148.2-137.7 142.8 14.5 -4.1 -8.0 392 405 A T E -be 207 424A 3 -186,-1.9 -184,-1.2 -2,-0.4 -183,-0.8 -0.918 9.5-157.4-111.8 133.7 13.4 -0.7 -6.9 393 406 A V E -be 209 425A 0 31,-2.7 33,-2.8 -2,-0.4 2,-0.4 -0.956 7.3-150.7-110.8 122.1 11.1 -0.1 -3.9 394 407 A G E -be 210 426A 0 -185,-2.7 -183,-1.9 -2,-0.5 2,-0.4 -0.797 20.3-172.0 -91.2 133.1 9.1 3.1 -3.8 395 408 A V E +be 211 427A 0 31,-3.1 33,-3.3 -2,-0.4 2,-0.3 -0.982 15.1 167.2-133.1 138.6 8.4 4.3 -0.2 396 409 A D E +b 212 0A 22 -185,-2.2 -183,-2.2 -2,-0.4 4,-0.2 -0.803 25.3 101.9-133.0 174.0 6.2 7.1 1.3 397 410 A G > - 0 0 9 -2,-0.3 4,-2.9 -185,-0.2 5,-0.3 -0.012 67.9-101.7 120.7 138.3 5.1 7.7 4.9 398 411 A S H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.811 117.3 49.8 -60.8 -34.4 5.9 9.9 7.9 399 412 A V H > S+ 0 0 1 -186,-1.1 4,-1.6 2,-0.2 8,-0.3 0.955 114.9 43.4 -71.0 -49.5 7.8 7.3 9.8 400 413 A Y H 4 S+ 0 0 3 -187,-2.1 7,-0.4 -4,-0.2 -2,-0.2 0.926 125.6 34.6 -60.7 -43.3 10.0 6.3 6.9 401 414 A K H < S+ 0 0 56 -4,-2.9 -2,-0.2 -188,-0.3 -3,-0.2 0.862 127.2 29.9 -84.3 -34.5 10.6 10.0 5.9 402 415 A L H < S+ 0 0 121 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.549 88.1 98.6-106.1 -9.7 10.7 11.9 9.2 403 416 A H S X S- 0 0 5 -4,-1.6 4,-0.6 -5,-0.4 3,-0.4 -0.729 76.0-127.7 -82.6 126.4 12.1 9.5 11.8 404 417 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.691 93.1 4.1 -39.6 -42.6 15.9 10.2 12.2 405 418 A S T > S+ 0 0 25 2,-0.1 4,-1.8 3,-0.1 5,-0.2 0.330 96.2 101.6-138.5 11.9 17.3 6.8 11.7 406 419 A F H > S+ 0 0 0 -3,-0.4 4,-3.2 -7,-0.2 5,-0.3 0.949 82.1 56.4 -60.8 -51.7 14.4 4.4 10.8 407 420 A K H X S+ 0 0 36 -4,-0.6 4,-3.0 -7,-0.4 -1,-0.2 0.889 109.2 44.4 -48.0 -51.3 15.3 4.4 7.1 408 421 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 114.6 46.7 -66.9 -43.2 18.8 3.2 7.6 409 422 A R H X S+ 0 0 55 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.945 115.7 48.2 -61.7 -47.1 18.1 0.5 10.2 410 423 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 5,-0.2 0.961 112.2 47.6 -56.7 -55.1 15.2 -0.7 7.9 411 424 A H H X S+ 0 0 25 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.915 112.5 49.4 -54.7 -46.8 17.4 -0.7 4.8 412 425 A A H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 112.4 46.6 -60.3 -46.2 20.2 -2.6 6.5 413 426 A S H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.913 112.2 50.6 -65.4 -43.7 18.0 -5.3 7.9 414 427 A V H >< S+ 0 0 0 -4,-2.9 3,-0.6 -5,-0.2 4,-0.5 0.943 110.8 49.5 -58.8 -47.9 16.2 -5.7 4.6 415 428 A R H >< S+ 0 0 114 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.878 106.0 55.0 -60.1 -40.1 19.5 -6.1 2.7 416 429 A R H 3< S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.8 46.5 -63.8 -26.6 20.9 -8.7 5.2 417 430 A L T << S+ 0 0 10 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.447 106.9 59.7 -95.1 -2.5 17.8 -10.8 4.5 418 431 A T X + 0 0 2 -3,-1.1 3,-1.2 -4,-0.5 -1,-0.2 -0.399 64.5 174.8-126.2 59.4 17.8 -10.5 0.7 419 432 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.269 72.2 31.3 -61.1 153.0 21.0 -11.9 -0.8 420 433 A S T 3 S+ 0 0 54 1,-0.2 -31,-2.6 -32,-0.1 2,-0.4 0.630 100.4 106.2 73.1 12.5 21.2 -12.0 -4.6 421 434 A C E < -e 389 0A 18 -3,-1.2 2,-0.8 -33,-0.2 -1,-0.2 -0.992 56.9-158.9-125.9 126.0 19.0 -8.9 -4.6 422 435 A E E -e 390 0A 121 -33,-3.0 -31,-2.0 -2,-0.4 2,-0.4 -0.900 24.5-165.9-103.6 103.3 20.3 -5.5 -5.5 423 436 A I E -e 391 0A 10 -2,-0.8 2,-0.5 -33,-0.2 -31,-0.2 -0.797 15.6-168.4-100.2 134.7 17.7 -3.2 -4.0 424 437 A T E -e 392 0A 66 -33,-2.2 -31,-2.7 -2,-0.4 2,-0.5 -0.977 12.8-151.2-117.7 126.9 17.3 0.6 -4.7 425 438 A F E -e 393 0A 27 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.869 6.7-164.5-102.8 131.5 15.0 2.5 -2.3 426 439 A I E -e 394 0A 52 -33,-2.8 -31,-3.1 -2,-0.5 2,-0.8 -0.968 13.5-145.0-115.2 122.6 13.2 5.6 -3.6 427 440 A E E -e 395 0A 96 -2,-0.5 2,-0.2 -33,-0.2 -31,-0.2 -0.793 28.1-135.0 -86.7 112.9 11.7 8.0 -1.1 428 441 A S - 0 0 5 -33,-3.3 2,-0.7 -2,-0.8 -31,-0.2 -0.511 11.0-152.3 -76.2 135.1 8.5 9.2 -2.8 429 442 A E S S- 0 0 160 -2,-0.2 5,-0.1 1,-0.1 -33,-0.1 -0.923 81.2 -25.2-108.6 109.4 7.6 12.9 -2.8 430 443 A E S >> S+ 0 0 50 -2,-0.7 4,-2.8 1,-0.1 3,-0.7 0.660 93.0 141.7 61.7 20.8 3.8 13.3 -3.2 431 444 A G H 3> + 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.861 59.5 64.3 -59.8 -39.7 3.6 9.9 -4.9 432 445 A S H 3> S+ 0 0 11 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.908 116.0 32.9 -51.9 -39.2 0.3 8.8 -3.2 433 446 A G H <> S+ 0 0 2 -3,-0.7 4,-1.0 2,-0.1 3,-0.2 0.894 120.8 46.4 -84.9 -42.9 -1.2 11.7 -5.1 434 447 A R H X S+ 0 0 27 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.882 105.0 61.6 -69.6 -38.2 0.8 11.8 -8.3 435 448 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.859 100.1 55.0 -56.8 -35.7 0.5 8.1 -8.9 436 449 A A H X S+ 0 0 0 -4,-0.5 4,-1.5 -5,-0.4 -1,-0.2 0.912 111.0 44.6 -64.9 -40.8 -3.2 8.3 -9.1 437 450 A A H X S+ 0 0 2 -4,-1.0 4,-1.5 -3,-0.3 -2,-0.2 0.910 111.8 52.5 -69.1 -43.1 -3.0 10.9 -11.8 438 451 A L H X S+ 0 0 18 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.898 109.6 48.5 -61.4 -40.5 -0.2 9.0 -13.7 439 452 A V H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.888 106.0 59.6 -68.6 -33.2 -2.3 5.7 -13.8 440 453 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.869 100.7 54.4 -60.9 -39.5 -5.3 7.7 -15.0 441 454 A A H X S+ 0 0 3 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.924 112.2 43.4 -62.5 -44.0 -3.4 8.9 -18.2 442 455 A V H X S+ 0 0 45 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.913 114.7 49.9 -67.5 -39.9 -2.6 5.3 -19.0 443 456 A A H X S+ 0 0 22 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.861 111.5 48.9 -67.1 -34.2 -6.2 4.2 -18.2 444 457 A C H < S+ 0 0 28 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.869 113.5 46.3 -71.1 -38.5 -7.7 7.0 -20.4 445 458 A K H >< S+ 0 0 93 -4,-2.0 3,-2.1 -5,-0.2 -2,-0.2 0.925 110.8 52.8 -68.9 -44.4 -5.4 6.1 -23.3 446 459 A K H 3< S+ 0 0 144 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.846 106.7 51.9 -60.4 -34.9 -6.2 2.4 -22.9 447 460 A A T 3< 0 0 81 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.190 360.0 360.0 -85.3 18.0 -9.9 3.2 -23.0 448 461 A C < 0 0 141 -3,-2.1 -1,-0.1 -5,-0.0 -2,-0.1 -0.232 360.0 360.0 65.3 360.0 -8.9 5.0 -26.2