==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE ACTIVATOR 16-JAN-13 4ISE . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.HOSFIELD,R.J.SKENE . 427 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.4 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 . 0 0.0 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 . 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 . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 1 1 1 2 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 . 0 0 1 0 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 . 0 0 1 0 2 0 1 0 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 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 9 A K 0 0 253 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 11.9 39.0 7.0 2 10 A P - 0 0 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.341 360.0 -87.9 -77.6 162.0 15.1 40.2 5.2 3 11 A M - 0 0 183 -2,-0.1 3,-0.1 1,-0.1 2,-0.0 -0.617 55.9-128.8 -65.1 117.0 18.6 38.8 5.9 4 12 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.298 25.2 -90.6 -72.2 155.6 19.7 41.1 8.7 5 13 A L > - 0 0 90 1,-0.1 4,-2.2 275,-0.1 3,-0.5 -0.538 34.1-142.1 -65.2 122.2 23.0 43.0 8.6 6 14 A T H > S+ 0 0 95 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.863 96.8 52.5 -56.0 -43.9 25.6 40.8 10.3 7 15 A L H > S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.844 110.3 48.2 -66.7 -33.7 27.5 43.6 12.1 8 16 A V H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 3,-0.3 0.931 110.8 51.2 -67.5 -46.8 24.2 44.9 13.7 9 17 A E H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.846 103.9 58.5 -61.1 -35.1 23.2 41.4 14.8 10 18 A Q H < S+ 0 0 121 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.910 111.4 41.6 -59.6 -42.5 26.6 40.9 16.4 11 19 A I H >< S+ 0 0 9 -4,-1.2 3,-1.3 -3,-0.3 4,-0.2 0.935 116.4 47.4 -70.3 -47.1 26.0 43.9 18.6 12 20 A L H >< S+ 0 0 5 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.796 99.2 69.0 -67.6 -26.3 22.3 43.1 19.3 13 21 A A G >< S+ 0 0 39 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.667 78.9 81.0 -68.1 -16.5 23.2 39.5 20.2 14 22 A E G < S+ 0 0 63 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.792 86.8 58.9 -51.0 -33.5 24.9 40.8 23.3 15 23 A F G < S+ 0 0 6 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.574 79.8 118.1 -77.0 -11.6 21.5 41.0 24.9 16 24 A Q < - 0 0 126 -3,-1.6 2,-0.4 -4,-0.2 323,-0.0 -0.274 43.8-167.8 -63.5 140.0 20.8 37.3 24.4 17 25 A L - 0 0 15 4,-0.0 2,-0.1 3,-0.0 -2,-0.0 -0.984 10.1-149.8-128.9 120.5 20.2 35.1 27.5 18 26 A Q > - 0 0 107 -2,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.339 32.7-101.3 -82.7 167.6 20.2 31.4 27.1 19 27 A E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 124.7 53.6 -56.9 -43.8 18.2 29.0 29.3 20 28 A E H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.834 107.5 51.6 -58.9 -35.7 21.3 28.2 31.3 21 29 A D H > S+ 0 0 34 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.929 111.7 46.1 -66.1 -46.7 21.9 31.9 31.9 22 30 A L H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.862 110.4 52.9 -66.9 -35.7 18.3 32.3 33.2 23 31 A K H X S+ 0 0 80 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.885 109.0 50.5 -64.9 -38.5 18.6 29.2 35.4 24 32 A K H X S+ 0 0 77 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.933 113.1 45.1 -62.8 -47.4 21.7 30.7 36.9 25 33 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.935 112.6 52.4 -59.8 -47.4 19.9 34.0 37.6 26 34 A M H X S+ 0 0 17 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.910 109.6 48.0 -56.0 -48.9 16.9 32.1 38.9 27 35 A R H X S+ 0 0 120 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.915 111.8 49.8 -60.9 -43.8 19.0 30.1 41.3 28 36 A R H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.915 110.8 49.8 -61.4 -43.2 20.8 33.2 42.5 29 37 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.917 108.4 53.7 -60.0 -43.3 17.4 35.0 43.1 30 38 A Q H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.882 107.4 50.5 -61.3 -38.0 16.1 32.0 45.0 31 39 A K H X S+ 0 0 100 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 110.9 48.8 -66.3 -38.9 19.2 32.1 47.3 32 40 A E H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 15,-0.2 0.848 110.1 51.5 -68.3 -33.9 18.5 35.9 47.9 33 41 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.919 109.0 50.8 -67.8 -43.5 14.8 35.1 48.6 34 42 A D H X S+ 0 0 74 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.919 109.4 52.0 -51.4 -47.7 15.9 32.5 51.1 35 43 A R H < S+ 0 0 90 -4,-2.1 10,-0.2 1,-0.2 3,-0.2 0.874 109.5 48.8 -60.7 -39.8 18.2 35.1 52.7 36 44 A G H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.789 109.7 51.4 -71.3 -29.7 15.3 37.6 53.1 37 45 A L H < S+ 0 0 6 -4,-1.6 171,-1.2 -3,-0.3 172,-0.4 0.705 93.1 87.1 -82.0 -22.4 12.9 35.1 54.6 38 46 A R S >X S- 0 0 84 -4,-1.2 4,-1.8 -3,-0.2 3,-0.6 -0.631 72.3-138.9 -89.3 137.3 15.3 33.9 57.4 39 47 A L T 34 S+ 0 0 116 -2,-0.3 4,-0.5 1,-0.2 3,-0.1 0.887 101.6 52.9 -55.4 -44.6 15.5 35.7 60.7 40 48 A E T 34 S+ 0 0 157 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.768 122.6 26.8 -66.0 -28.3 19.3 35.4 60.9 41 49 A T T <> S+ 0 0 19 -3,-0.6 4,-1.2 -6,-0.2 3,-0.4 0.470 92.4 94.6-117.6 -4.6 20.0 36.9 57.5 42 50 A H T < S+ 0 0 38 -4,-1.8 3,-0.4 1,-0.2 -2,-0.1 0.878 81.1 57.2 -58.4 -42.6 17.0 39.2 56.9 43 51 A E T 4 S+ 0 0 166 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.884 116.3 34.7 -59.4 -40.9 18.7 42.4 58.1 44 52 A E T 4 S+ 0 0 128 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.2 0.559 93.6 113.2 -90.6 -10.8 21.6 42.1 55.7 45 53 A A < - 0 0 1 -4,-1.2 3,-0.0 -3,-0.4 -13,-0.0 -0.394 54.6-155.6 -67.3 135.9 19.5 40.6 52.8 46 54 A S S S+ 0 0 20 1,-0.2 2,-0.8 -2,-0.1 179,-0.2 0.854 89.3 60.3 -78.0 -37.7 19.1 42.8 49.8 47 55 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.2 175,-0.2 -0.842 78.8-165.0 -91.9 106.7 15.9 41.1 48.7 48 56 A K - 0 0 65 -2,-0.8 174,-0.2 174,-0.4 -1,-0.2 0.747 8.4-155.3 -78.9 -26.2 13.8 41.8 51.8 49 57 A M - 0 0 2 172,-1.8 172,-0.3 1,-0.2 173,-0.1 0.946 24.0-153.8 53.8 52.2 10.9 39.4 51.4 50 58 A L E -A 220 0A 68 170,-2.4 170,-3.1 169,-0.1 2,-0.3 -0.369 12.5-123.0 -66.4 124.9 8.7 41.7 53.5 51 59 A P E -A 219 0A 22 0, 0.0 168,-0.2 0, 0.0 -1,-0.1 -0.551 21.8-165.7 -62.5 130.1 5.8 40.0 55.4 52 60 A T E - 0 0 11 166,-2.3 167,-0.1 -2,-0.3 3,-0.1 0.537 28.8-129.2 -93.1 -13.6 2.7 41.8 54.2 53 61 A Y E + 0 0 79 165,-0.4 2,-0.9 1,-0.2 166,-0.1 0.573 67.1 133.2 64.4 15.1 0.5 40.5 57.0 54 62 A V E - 0 0 13 164,-0.4 164,-3.1 2,-0.0 -1,-0.2 -0.849 42.7-166.6 -92.0 103.8 -2.0 39.5 54.3 55 63 A R E -A 217 0A 80 -2,-0.9 162,-0.2 2,-0.3 4,-0.1 -0.508 34.5-120.1 -95.5 161.2 -2.8 35.9 55.4 56 64 A S S S+ 0 0 60 160,-2.4 161,-0.1 -2,-0.2 -1,-0.1 0.653 98.8 68.7 -70.5 -18.7 -4.5 33.0 53.7 57 65 A T S S- 0 0 73 159,-0.4 -2,-0.3 1,-0.0 0, 0.0 -0.847 98.1-100.7-102.5 140.9 -7.1 33.0 56.5 58 66 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.294 49.1 170.2 -53.2 136.6 -9.6 35.7 57.0 59 67 A E + 0 0 90 1,-0.1 4,-0.1 -4,-0.1 365,-0.1 -0.892 50.8 50.2-141.9 175.9 -8.7 38.2 59.8 60 68 A G > + 0 0 5 -2,-0.3 3,-2.5 364,-0.1 -1,-0.1 0.900 62.7 169.4 56.8 42.7 -10.0 41.6 61.0 61 69 A S T 3 + 0 0 103 1,-0.3 -1,-0.1 -3,-0.1 362,-0.0 0.735 66.3 68.5 -58.7 -25.9 -13.4 39.9 61.1 62 70 A E T 3 S+ 0 0 140 361,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.593 80.1 88.7 -70.5 -12.2 -14.8 43.0 62.9 63 71 A V < + 0 0 15 -3,-2.5 3,-0.1 1,-0.2 -1,-0.1 -0.797 43.5 138.0 -86.8 100.5 -14.3 45.0 59.7 64 72 A G + 0 0 26 -2,-1.0 19,-2.1 1,-0.3 2,-0.5 0.770 61.1 45.2-103.9 -45.4 -17.6 44.6 57.8 65 73 A D E +F 82 0B 46 -3,-0.3 2,-0.3 17,-0.2 -1,-0.3 -0.895 68.9 144.2-112.2 128.6 -18.3 48.0 56.5 66 74 A F E -F 81 0B 0 15,-2.4 15,-3.2 -2,-0.5 2,-0.4 -0.954 41.8-109.0-153.8 168.9 -15.8 50.3 54.8 67 75 A L E -Fg 80 136B 0 68,-2.8 70,-2.1 -2,-0.3 2,-0.4 -0.827 20.0-163.8-101.7 142.7 -15.1 52.9 52.2 68 76 A S E -Fg 79 137B 0 11,-2.8 11,-2.3 -2,-0.4 2,-0.6 -1.000 5.6-163.5-123.1 131.2 -13.0 52.3 49.0 69 77 A L E -Fg 78 138B 0 68,-2.6 70,-2.4 -2,-0.4 2,-0.6 -0.943 2.7-161.7-120.5 108.1 -11.8 55.3 47.1 70 78 A D E -Fg 77 139B 10 7,-2.3 7,-2.3 -2,-0.6 2,-0.7 -0.825 6.8-152.2 -96.6 119.7 -10.7 54.7 43.6 71 79 A L E +Fg 76 140B 21 68,-2.7 70,-2.1 -2,-0.6 5,-0.2 -0.818 19.3 175.5 -93.6 114.3 -8.5 57.5 42.1 72 80 A G - 0 0 11 3,-2.5 70,-0.2 -2,-0.7 4,-0.0 -0.031 48.2 -82.7 -91.5-156.8 -8.8 57.8 38.3 73 81 A G S S- 0 0 51 68,-0.3 69,-0.1 1,-0.1 3,-0.0 0.962 117.5 -2.9 -75.2 -55.9 -7.1 60.4 36.2 74 82 A T S S+ 0 0 76 -3,-0.0 26,-1.9 2,-0.0 2,-0.3 0.140 132.7 39.0-127.1 11.4 -9.6 63.3 36.5 75 83 A N E - H 0 99B 61 24,-0.2 -3,-2.5 2,-0.0 2,-0.3 -0.951 62.2-149.5-151.0 172.6 -12.3 61.7 38.7 76 84 A F E -FH 71 98B 1 22,-2.1 22,-3.0 -2,-0.3 2,-0.5 -0.973 10.4-133.8-146.2 160.2 -12.7 59.4 41.6 77 85 A R E -FH 70 97B 19 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.5 -0.964 8.7-157.5-117.9 129.9 -15.2 56.9 42.9 78 86 A V E -FH 69 96B 0 18,-2.6 18,-2.0 -2,-0.5 2,-0.4 -0.933 19.8-173.6-103.2 129.2 -16.3 56.7 46.5 79 87 A M E -FH 68 95B 0 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.5 -0.990 20.9-150.8-131.6 129.6 -17.6 53.2 47.3 80 88 A L E -FH 67 94B 3 14,-3.1 14,-1.8 -2,-0.4 2,-0.4 -0.870 27.3-166.7 -93.9 128.2 -19.4 51.9 50.4 81 89 A V E -FH 66 93B 0 -15,-3.2 -15,-2.4 -2,-0.5 2,-0.4 -0.944 20.6-171.3-127.4 139.1 -18.6 48.2 50.8 82 90 A K E -FH 65 92B 38 10,-2.6 10,-2.9 -2,-0.4 2,-0.5 -0.988 11.9-161.4-126.1 115.3 -20.0 45.5 53.0 83 91 A V E + H 0 91B 19 -19,-2.1 2,-0.2 -2,-0.4 8,-0.2 -0.894 24.8 155.8-101.1 124.9 -18.1 42.2 53.0 84 92 A G E H 0 90B 32 6,-1.9 6,-1.7 -2,-0.5 -2,-0.0 -0.649 360.0 360.0-134.1-170.6 -20.0 39.2 54.2 85 93 A E 0 0 119 4,-0.2 4,-0.2 -2,-0.2 -1,-0.1 -0.357 360.0 360.0 -66.6 360.0 -20.3 35.4 54.0 86 ! 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 87 97 A G 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.1 -16.9 30.1 52.3 88 98 A Q - 0 0 92 -3,-0.1 2,-0.4 1,-0.0 0, 0.0 0.533 360.0-100.7 66.3 142.6 -16.1 32.9 49.9 89 99 A W - 0 0 84 -4,-0.2 2,-0.4 -6,-0.0 -4,-0.2 -0.768 19.0-141.4 -99.6 130.9 -16.9 36.6 50.5 90 100 A S E -H 84 0B 55 -6,-1.7 -6,-1.9 -2,-0.4 2,-0.7 -0.740 14.4-151.6 -80.3 136.4 -19.8 38.6 49.1 91 101 A V E -H 83 0B 11 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.883 14.9-171.5-113.5 97.2 -18.7 42.1 48.2 92 102 A K E +H 82 0B 136 -10,-2.9 -10,-2.6 -2,-0.7 2,-0.3 -0.773 13.7 176.2 -94.4 131.2 -21.7 44.3 48.5 93 103 A T E -H 81 0B 23 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.922 30.2-178.4-136.7 152.2 -21.3 47.9 47.2 94 104 A K E +H 80 0B 92 -14,-1.8 -14,-3.1 -2,-0.3 2,-0.3 -0.954 28.7 167.5-139.0 151.9 -22.9 51.2 46.5 95 105 A H E -H 79 0B 87 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.905 26.8-146.7-154.1 171.7 -20.9 54.0 44.9 96 106 A Q E -H 78 0B 72 -18,-2.0 -18,-2.6 -2,-0.3 2,-0.4 -0.951 15.5-138.5-151.2 132.7 -20.7 57.4 43.3 97 107 A M E -H 77 0B 88 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.756 21.3-164.6 -84.8 138.8 -18.4 58.8 40.6 98 108 A Y E -H 76 0B 36 -22,-3.0 -22,-2.1 -2,-0.4 2,-0.4 -0.991 12.2-140.7-125.6 133.3 -17.2 62.4 41.2 99 109 A S E -H 75 0B 84 -2,-0.4 -24,-0.2 -24,-0.2 -22,-0.0 -0.745 19.6-130.2 -87.3 139.1 -15.7 64.7 38.6 100 110 A I - 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D 0 218A 13 -14,-2.1 17,-0.3 -2,-0.3 2,-0.2 -0.692 47.0-168.2 -85.0 104.3 1.8 33.5 49.2 202 236 A E E - D 0 217A 1 15,-2.8 15,-2.5 -2,-0.9 2,-0.2 -0.630 29.6 -99.2 -93.1 149.6 4.6 31.9 51.2 203 237 A E E >> - D 0 216A 24 -2,-0.2 3,-1.4 13,-0.2 4,-1.0 -0.486 31.0-127.2 -65.2 135.1 4.2 29.1 53.7 204 238 A M T 34 S+ 0 0 3 11,-2.7 3,-0.5 1,-0.3 6,-0.2 0.831 108.1 61.6 -58.3 -33.8 4.1 30.5 57.2 205 239 A Q T 34 S+ 0 0 87 8,-0.5 -1,-0.3 10,-0.3 8,-0.1 0.819 105.6 47.9 -59.6 -31.2 6.9 28.2 58.3 206 240 A N T <4 S+ 0 0 51 -3,-1.4 2,-1.6 1,-0.2 -1,-0.2 0.676 92.7 80.2 -84.0 -20.2 9.2 29.9 55.8 207 241 A V >< + 0 0 2 -4,-1.0 3,-1.5 -3,-0.5 -1,-0.2 -0.660 59.4 172.2 -84.4 81.8 8.1 33.4 56.9 208 242 A E T 3 + 0 0 86 -2,-1.6 -1,-0.2 -171,-1.2 -170,-0.1 0.733 66.9 70.2 -68.8 -21.4 10.5 33.3 59.9 209 243 A L T 3 S+ 0 0 52 -172,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.581 99.1 53.1 -71.8 -10.9 9.7 37.0 60.6 210 244 A V S < S- 0 0 14 -3,-1.5 -1,-0.1 -6,-0.2 -3,-0.1 -0.985 92.2-122.1-127.6 121.5 6.2 36.1 61.7 211 245 A E S S+ 0 0 193 -2,-0.4 2,-0.1 2,-0.1 -6,-0.1 -0.367 70.8 68.0 -64.6 137.0 5.7 33.4 64.4 212 246 A G - 0 0 33 -7,-0.1 -5,-0.2 1,-0.1 -2,-0.1 -0.256 54.3-146.9 127.9 145.1 3.5 30.4 63.2 213 247 A D + 0 0 111 -2,-0.1 -8,-0.5 -8,-0.1 2,-0.4 0.214 66.1 106.0-121.1 11.0 3.7 27.6 60.7 214 248 A E S S- 0 0 175 -10,-0.2 2,-0.0 -11,-0.1 0, 0.0 -0.806 80.0 -23.0-101.9 131.0 -0.0 27.4 59.8 215 249 A G S S- 0 0 31 -2,-0.4 -11,-2.7 -159,-0.1 -10,-0.3 -0.250 85.2 -65.0 73.6-158.8 -1.3 28.7 56.4 216 250 A R E - D 0 203A 68 -13,-0.2 -160,-2.4 -12,-0.1 -159,-0.4 -0.846 31.2-159.1-130.9 159.2 0.2 31.2 54.2 217 251 A M E -AD 55 202A 0 -15,-2.5 -15,-2.8 -2,-0.3 -162,-0.2 -0.994 29.9-110.6-140.0 140.6 1.2 34.9 54.1 218 252 A C E - D 0 201A 0 -164,-3.1 -166,-2.3 -2,-0.3 2,-0.5 -0.479 32.0-157.5 -67.5 131.9 1.8 37.1 51.2 219 253 A V E -AD 51 200A 0 -19,-2.9 -19,-1.6 -168,-0.2 2,-0.9 -0.970 9.9-146.0-114.9 127.3 5.5 38.1 51.0 220 254 A N E -AD 50 199A 10 -170,-3.1 -170,-2.4 -2,-0.5 -21,-0.2 -0.836 13.4-166.6 -91.4 105.1 6.5 41.3 49.2 221 255 A T - 0 0 0 -23,-2.0 -172,-1.8 -2,-0.9 -173,-0.3 0.851 8.5-157.6 -62.7 -36.2 9.9 40.3 47.7 222 256 A E > + 0 0 70 -24,-0.5 3,-1.4 -174,-0.2 -174,-0.4 0.924 26.6 169.8 47.1 50.7 11.0 43.8 46.7 223 257 A W G > + 0 0 0 1,-0.3 3,-2.1 -25,-0.3 32,-0.2 0.559 50.9 89.5 -73.0 -8.0 13.2 41.9 44.3 224 258 A G G 3 S+ 0 0 1 -28,-0.3 32,-1.6 1,-0.3 31,-0.6 0.782 79.9 64.3 -55.3 -29.6 14.2 45.0 42.4 225 259 A A G X S+ 0 0 14 -3,-1.4 3,-1.1 -179,-0.2 29,-0.3 0.528 75.5 119.8 -72.9 -10.7 17.1 45.3 44.9 226 260 A F T < + 0 0 0 -3,-2.1 29,-2.1 1,-0.2 30,-0.2 -0.296 58.0 49.2 -55.4 136.7 18.6 42.0 43.6 227 261 A G T > + 0 0 1 27,-0.2 3,-2.1 26,-0.1 5,-0.3 0.216 67.3 123.1 115.5 -13.1 22.1 42.4 42.2 228 262 A D T < S+ 0 0 85 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.0 0.675 80.2 40.3 -44.7 -35.4 23.6 44.4 45.1 229 263 A S T 3 S- 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.075 130.8 -85.2-112.6 22.4 26.4 41.8 45.6 230 264 A G S X S+ 0 0 20 -3,-2.1 3,-1.1 3,-0.0 4,-0.4 0.573 81.0 140.0 92.0 13.3 27.2 41.1 42.0 231 265 A E T 3 S+ 0 0 13 1,-0.3 -203,-0.1 2,-0.1 -3,-0.1 0.723 84.0 32.3 -61.5 -22.3 24.6 38.4 41.3 232 266 A L T >> S+ 0 0 0 -5,-0.3 3,-2.3 1,-0.1 4,-0.7 0.414 87.6 107.0-111.0 -1.3 23.9 39.9 37.9 233 267 A D G X4 S+ 0 0 74 -3,-1.1 3,-1.1 1,-0.3 -2,-0.1 0.823 74.8 55.9 -55.6 -40.1 27.4 41.2 37.0 234 268 A E G 34 S+ 0 0 104 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.682 111.5 46.4 -66.6 -16.4 28.3 38.6 34.4 235 269 A F G <4 S+ 0 0 17 -3,-2.3 2,-0.2 2,-0.1 -1,-0.2 0.492 85.8 110.3-102.6 -7.2 25.1 39.6 32.5 236 270 A L << - 0 0 24 -3,-1.1 2,-0.2 -4,-0.7 22,-0.0 -0.517 52.6-156.6 -75.1 134.0 25.6 43.4 32.6 237 271 A L >> - 0 0 26 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.593 36.0 -97.2-101.4 167.9 26.4 45.1 29.4 238 272 A E H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 125.2 56.8 -51.9 -37.8 28.2 48.4 28.9 239 273 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 106.3 48.8 -61.8 -42.8 24.7 50.1 28.5 240 274 A D H <> S+ 0 0 11 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.891 110.0 51.6 -64.2 -41.1 23.6 48.7 31.9 241 275 A R H X S+ 0 0 125 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.904 111.3 47.6 -64.2 -40.3 26.8 50.0 33.5 242 276 A L H X S+ 0 0 91 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 111.3 50.0 -67.2 -45.8 26.3 53.5 32.0 243 277 A V H X S+ 0 0 10 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.928 113.7 46.7 -55.5 -47.0 22.6 53.6 33.1 244 278 A D H >< S+ 0 0 18 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.931 109.7 52.6 -63.5 -46.4 23.6 52.6 36.6 245 279 A E H 3< S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 114.9 41.8 -59.8 -36.3 26.5 55.1 36.8 246 280 A S H 3< S+ 0 0 67 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.425 97.3 103.1 -92.3 0.8 24.2 58.0 35.8 247 281 A S S << S- 0 0 19 -3,-1.2 -3,-0.1 -4,-0.5 -4,-0.0 -0.206 84.6-110.8 -78.2 172.5 21.2 56.9 38.0 248 282 A A S S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.1 0.687 114.2 34.3 -73.1 -19.9 20.2 58.3 41.3 249 283 A N S > S- 0 0 37 3,-0.2 3,-2.4 -5,-0.1 -1,-0.2 -0.515 81.5-162.4-137.6 63.8 21.3 55.2 43.2 250 284 A P T 3 S+ 0 0 71 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.214 78.2 18.9 -58.8 136.7 24.4 53.7 41.5 251 285 A G T 3 S+ 0 0 31 1,-0.3 3,-0.3 2,-0.0 2,-0.3 0.201 109.6 96.9 90.3 -13.3 25.0 50.0 42.4 252 286 A Q S < S+ 0 0 101 -3,-2.4 -1,-0.3 1,-0.2 -3,-0.2 -0.735 78.2 16.0-112.0 158.2 21.4 49.6 43.7 253 287 A Q S > S+ 0 0 43 -2,-0.3 4,-2.3 -28,-0.2 -1,-0.2 0.822 71.0 156.0 54.5 36.5 18.2 48.2 42.1 254 288 A L H > + 0 0 14 -3,-0.3 4,-0.8 -29,-0.3 -27,-0.2 0.879 69.7 50.9 -62.7 -38.8 20.4 46.5 39.4 255 289 A Y H >> S+ 0 0 0 -29,-2.1 3,-1.3 -31,-0.6 4,-0.6 0.956 111.6 47.3 -60.6 -50.4 17.7 43.9 38.7 256 290 A E H >> S+ 0 0 34 -32,-1.6 4,-3.3 1,-0.3 3,-1.1 0.855 104.9 61.2 -60.6 -35.8 15.1 46.5 38.3 257 291 A K H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 -33,-0.3 -2,-0.2 0.728 103.0 51.3 -64.2 -22.2 17.4 48.5 36.0 258 292 A L H << S+ 0 0 3 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.634 126.2 22.3 -83.2 -16.9 17.4 45.6 33.6 259 293 A I H << S+ 0 0 1 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.766 93.7 99.5-118.9 -44.6 13.6 45.3 33.5 260 294 A G >X - 0 0 0 -4,-3.3 3,-1.2 -5,-0.2 4,-1.1 -0.084 68.1-128.8 -64.1 149.1 11.8 48.5 34.4 261 295 A G H 3> S+ 0 0 8 -68,-3.2 4,-0.5 -66,-0.2 37,-0.3 0.664 103.0 77.3 -64.4 -18.3 10.3 51.1 32.1 262 296 A K H 34 S+ 0 0 135 -68,-2.1 -1,-0.2 -69,-0.3 4,-0.2 0.885 113.1 18.6 -55.6 -37.3 12.2 53.7 34.1 263 297 A Y H <> S+ 0 0 21 -3,-1.2 4,-2.3 -69,-0.3 -2,-0.2 0.509 99.3 92.3-114.1 -10.5 15.4 52.6 32.3 264 298 A M H X S+ 0 0 3 -4,-1.1 4,-2.1 1,-0.2 5,-0.1 0.901 89.6 45.9 -61.2 -47.9 14.3 50.7 29.1 265 299 A G H X S+ 0 0 1 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.897 111.6 52.6 -60.7 -42.3 14.3 53.7 26.8 266 300 A E H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 106.8 53.1 -63.4 -39.4 17.7 54.9 28.0 267 301 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.942 110.3 47.9 -58.7 -47.2 19.1 51.4 27.4 268 302 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.941 108.1 55.1 -59.2 -47.9 17.8 51.6 23.8 269 303 A R H X S+ 0 0 13 -4,-2.8 4,-2.4 27,-0.3 -1,-0.2 0.916 109.6 46.6 -50.2 -48.5 19.3 55.1 23.3 270 304 A L H X S+ 0 0 18 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 111.4 51.2 -65.5 -37.3 22.7 53.9 24.4 271 305 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 110.2 49.9 -63.1 -46.0 22.4 50.9 22.0 272 306 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.912 109.6 51.2 -59.5 -42.0 21.5 53.2 19.2 273 307 A L H X S+ 0 0 28 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.863 108.1 52.3 -64.2 -37.0 24.5 55.4 20.0 274 308 A R H X S+ 0 0 54 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.948 109.9 48.7 -59.2 -49.3 26.8 52.4 19.9 275 309 A L H <>S+ 0 0 0 -4,-2.4 5,-3.2 1,-0.2 6,-0.8 0.851 112.3 49.2 -61.4 -36.7 25.4 51.5 16.5 276 310 A V H ><5S+ 0 0 3 -4,-2.2 3,-2.3 4,-0.2 -1,-0.2 0.937 108.7 52.2 -63.8 -48.8 25.9 55.1 15.3 277 311 A D H 3<5S+ 0 0 133 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.803 109.3 50.1 -59.8 -30.8 29.5 55.1 16.6 278 312 A E T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.284 117.1-117.6 -87.9 7.8 30.2 51.9 14.7 279 313 A N T < 5S+ 0 0 110 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.852 85.0 116.2 54.3 41.3 28.7 53.6 11.6 280 314 A L < + 0 0 34 -5,-3.2 2,-0.3 1,-0.2 -4,-0.2 0.413 69.3 46.1-109.7 -4.9 25.8 51.1 11.4 281 315 A L S > S- 0 0 0 -6,-0.8 3,-2.0 -5,-0.2 4,-0.3 -1.000 118.2 -2.7-145.8 139.4 23.0 53.5 12.0 282 316 A F G > S- 0 0 15 -2,-0.3 3,-1.6 1,-0.3 42,-0.1 0.745 117.7 -71.9 53.5 30.9 22.0 57.0 10.7 283 317 A H G 3 S- 0 0 153 1,-0.3 -1,-0.3 -4,-0.1 -7,-0.1 0.816 89.2 -61.3 52.6 36.6 25.3 57.1 8.6 284 318 A G G < S+ 0 0 23 -3,-2.0 2,-0.6 1,-0.1 -1,-0.3 0.603 113.4 116.8 71.2 14.3 27.3 57.5 11.8 285 319 A E < - 0 0 148 -3,-1.6 2,-0.2 -4,-0.3 -1,-0.1 -0.904 44.4-169.6-121.6 103.0 25.6 60.8 12.6 286 320 A A - 0 0 18 -2,-0.6 2,-0.1 1,-0.1 36,-0.0 -0.550 23.2-117.4 -85.2 154.6 23.5 61.0 15.8 287 321 A S > - 0 0 16 -2,-0.2 4,-1.6 34,-0.1 5,-0.1 -0.448 24.1-112.6 -83.3 163.4 21.2 63.9 16.5 288 322 A E T 4 S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.2 34,-0.1 0.873 121.2 52.6 -63.6 -36.9 21.7 66.2 19.5 289 323 A Q T >4 S+ 0 0 86 32,-0.3 3,-1.8 1,-0.2 6,-0.3 0.912 106.2 52.4 -61.4 -44.6 18.4 64.8 21.0 290 324 A L T 34 S+ 0 0 1 31,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.3 52.0 -62.3 -31.2 19.7 61.3 20.5 291 325 A R T 3< S+ 0 0 143 -4,-1.6 2,-0.6 2,-0.1 -1,-0.3 0.313 92.0 98.7 -85.4 7.5 22.9 62.3 22.4 292 326 A T S X S- 0 0 76 -3,-1.8 3,-2.0 -5,-0.1 4,-0.3 -0.867 82.9-113.6-102.0 122.2 20.7 63.7 25.3 293 327 A R T 3 S+ 0 0 147 -2,-0.6 -2,-0.1 1,-0.2 -27,-0.0 -0.252 99.9 11.9 -47.6 129.8 20.1 61.5 28.4 294 328 A G T 3 S+ 0 0 46 2,-0.1 -1,-0.2 -4,-0.1 -28,-0.1 0.338 89.7 117.3 85.2 -5.0 16.5 60.5 28.7 295 329 A A < + 0 0 22 -3,-2.0 2,-1.1 -6,-0.3 -2,-0.1 0.822 62.9 68.1 -70.3 -32.6 15.5 61.6 25.2 296 330 A F S S- 0 0 2 -4,-0.3 -27,-0.3 -6,-0.2 -1,-0.2 -0.767 84.7-154.9 -88.2 97.9 14.5 58.1 24.0 297 331 A E >> - 0 0 80 -2,-1.1 3,-1.2 -32,-0.1 4,-0.8 -0.374 23.0-121.2 -75.9 148.5 11.5 57.5 26.2 298 332 A T H >> S+ 0 0 31 -37,-0.3 4,-1.6 1,-0.3 3,-1.0 0.883 114.5 63.5 -55.9 -38.5 10.4 54.0 27.1 299 333 A R H 3> S+ 0 0 158 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.833 97.1 58.7 -53.9 -32.7 7.0 54.7 25.4 300 334 A F H <> S+ 0 0 26 -3,-1.2 4,-2.6 2,-0.2 -1,-0.3 0.835 100.0 56.0 -65.4 -33.7 9.0 55.1 22.2 301 335 A V H < S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.922 111.5 46.9 -59.6 -45.1 8.6 51.2 17.7 305 339 A E H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.613 104.3 63.0 -74.7 -12.2 7.6 47.6 18.4 306 340 A S T 3< S+ 0 0 63 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.548 74.2 127.2 -81.5 -11.8 4.0 48.4 17.6 307 341 A D < - 0 0 5 -3,-1.2 -3,-0.0 -4,-0.4 -4,-0.0 -0.220 57.5-144.9 -53.3 134.0 5.0 49.3 14.0 308 342 A T - 0 0 121 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.586 53.6 -86.1 -80.0 -12.2 2.8 47.4 11.6 309 343 A G S S+ 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.039 113.8 92.0 128.1 -24.5 5.6 47.0 9.0 310 344 A D S S- 0 0 98 1,-0.1 -3,-0.0 4,-0.0 0, 0.0 0.544 88.2-132.3 -76.4 -8.9 5.2 50.2 7.0 311 345 A R S > S+ 0 0 87 -7,-0.1 4,-2.4 1,-0.1 5,-0.1 0.580 70.9 123.2 71.1 13.4 7.8 51.8 9.4 312 346 A K H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.865 70.7 50.1 -75.6 -39.6 5.6 54.9 9.9 313 347 A Q H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 115.3 45.2 -61.0 -41.3 5.5 54.6 13.7 314 348 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 111.6 51.0 -71.3 -45.4 9.3 54.3 13.8 315 349 A Y H X S+ 0 0 102 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.911 109.6 51.4 -57.5 -43.7 9.8 57.1 11.3 316 350 A N H X S+ 0 0 77 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.886 111.4 46.7 -64.0 -41.2 7.6 59.4 13.4 317 351 A I H X S+ 0 0 5 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.957 117.2 42.9 -61.0 -52.5 9.5 58.6 16.7 318 352 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.4 0.852 110.6 55.0 -68.5 -35.7 12.9 59.1 15.1 319 353 A S H ><5S+ 0 0 48 -4,-3.0 3,-2.0 -5,-0.2 -1,-0.2 0.911 103.8 56.3 -61.0 -41.7 11.8 62.3 13.1 320 354 A T H 3<5S+ 0 0 90 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 102.9 56.7 -58.9 -27.8 10.8 63.8 16.5 321 355 A L T 3<5S- 0 0 3 -4,-0.9 -31,-0.5 -3,-0.4 -32,-0.3 0.203 125.7-102.3 -89.9 14.7 14.3 63.1 17.7 322 356 A G T < 5S+ 0 0 28 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.711 81.7 131.2 73.7 21.3 15.8 65.2 14.8 323 357 A L < - 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