==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-99 1CZA . COMPND 2 MOLECULE: HEXOKINASE TYPE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.ALESHIN,X.LIU,C.KIRBY,G.P.BOURENKOV,H.D.BARTUNIK, . 898 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 56 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 2 0 2 2 1 1 2 5 0 1 1 0 1 0 4 0 0 0 0 0 0 0 1 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 0 1 5 0 2 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 . 2 3 1 0 4 0 2 0 2 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 2 0 2 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 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 16 N D > 0 0 166 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.1 5.1 51.3 17.2 2 17 N D H > + 0 0 105 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 360.0 43.1 -47.8 -72.5 4.7 54.2 19.7 3 18 N Q H > S+ 0 0 68 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.912 117.5 44.3 -44.0 -60.2 7.7 53.5 22.1 4 19 N V H > S+ 0 0 43 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.904 112.7 53.4 -56.1 -43.4 10.2 52.7 19.4 5 20 N K H X S+ 0 0 113 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.924 112.3 44.6 -58.0 -44.8 9.0 55.7 17.4 6 21 N K H X S+ 0 0 94 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.918 112.2 51.3 -67.5 -40.8 9.5 58.0 20.4 7 22 N I H X S+ 0 0 8 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.931 107.8 54.9 -61.2 -41.0 12.9 56.4 21.2 8 23 N D H < S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.3 45.4 -57.6 -39.8 13.8 57.1 17.5 9 24 N K H >< S+ 0 0 138 -4,-1.6 3,-1.5 -5,-0.2 4,-0.2 0.951 111.6 51.3 -73.3 -44.1 12.9 60.7 18.0 10 25 N Y H 3< S+ 0 0 65 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.913 122.3 31.8 -57.8 -41.8 14.8 61.0 21.3 11 26 N L T >< S+ 0 0 4 -4,-2.8 3,-2.4 -5,-0.2 4,-0.4 0.060 79.9 130.8-106.5 27.1 18.0 59.5 19.8 12 27 N Y G X + 0 0 176 -3,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.855 66.3 60.3 -49.3 -38.4 17.4 60.9 16.3 13 28 N A G 3 S+ 0 0 61 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.670 102.6 54.7 -67.1 -16.2 21.0 62.3 16.1 14 29 N M G < S+ 0 0 3 -3,-2.4 2,-1.0 -6,-0.2 -1,-0.3 0.405 86.6 85.6 -90.0 -10.0 22.3 58.7 16.5 15 30 N R S < S- 0 0 124 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.1 -0.868 73.1-159.0 -98.2 94.5 20.3 57.3 13.5 16 31 N L - 0 0 19 -2,-1.0 2,-0.1 4,-0.0 -3,-0.1 -0.653 2.8-145.6 -84.9 130.3 22.6 58.1 10.7 17 32 N S > - 0 0 59 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.452 28.9-107.0 -82.5 170.7 21.3 58.3 7.1 18 33 N D H > S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.858 119.8 58.5 -64.3 -34.6 23.2 57.2 4.1 19 34 N E H > S+ 0 0 163 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 108.9 44.8 -60.9 -42.6 23.7 60.8 3.1 20 35 N T H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.916 112.7 51.6 -66.8 -42.8 25.4 61.5 6.4 21 36 N L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.925 109.2 49.8 -64.2 -36.5 27.5 58.2 6.1 22 37 N I H X S+ 0 0 87 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.913 110.1 51.9 -63.7 -38.6 28.7 59.2 2.6 23 38 N D H X S+ 0 0 69 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.970 111.9 45.6 -62.7 -48.9 29.6 62.6 4.0 24 39 N I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.909 110.7 54.1 -59.3 -40.4 31.6 60.8 6.8 25 40 N M H X S+ 0 0 12 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.910 109.5 47.6 -57.8 -43.5 33.2 58.5 4.2 26 41 N T H X S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.3 52.8 -67.2 -41.8 34.3 61.5 2.2 27 42 N R H X S+ 0 0 40 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.0 49.2 -56.1 -45.6 35.8 63.2 5.3 28 43 N F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.924 105.5 57.1 -68.5 -29.6 37.7 60.0 6.1 29 44 N R H X S+ 0 0 138 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.923 108.5 48.1 -63.1 -42.0 39.0 59.9 2.4 30 45 N K H X S+ 0 0 123 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.906 109.6 51.6 -64.7 -41.7 40.4 63.3 3.0 31 46 N E H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 15,-0.2 0.868 105.2 56.1 -61.3 -36.8 42.0 62.4 6.4 32 47 N M H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.935 108.7 47.1 -62.3 -44.3 43.8 59.4 4.8 33 48 N K H X S+ 0 0 127 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.921 111.0 51.9 -65.7 -35.8 45.4 61.7 2.2 34 49 N N H < S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.897 109.4 49.9 -62.7 -41.5 46.5 64.1 5.0 35 50 N G H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 112.3 46.7 -69.7 -30.1 48.1 61.4 7.0 36 51 N L H < S+ 0 0 8 -4,-1.8 195,-0.9 -5,-0.2 196,-0.3 0.690 94.0 97.9 -80.9 -20.3 50.0 60.0 4.1 37 52 N S X - 0 0 19 -4,-1.4 4,-2.6 -5,-0.2 7,-0.1 -0.545 68.9-144.3 -70.8 134.5 51.2 63.5 3.0 38 53 N R T 4 S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.827 101.6 50.8 -63.7 -31.5 54.6 64.7 4.1 39 54 N D T 4 S+ 0 0 126 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.928 121.4 26.7 -74.0 -45.7 53.2 68.2 4.5 40 55 N F T >4 S+ 0 0 113 -6,-0.2 3,-1.8 -7,-0.2 -2,-0.2 0.656 93.7 93.9 -97.0 -8.5 50.1 67.5 6.6 41 56 N N G >< S+ 0 0 44 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.851 79.2 59.7 -52.3 -42.0 51.2 64.3 8.4 42 57 N P G 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.810 119.3 30.2 -60.1 -26.0 52.6 66.2 11.5 43 58 N T G < S+ 0 0 121 -3,-1.8 2,-0.5 -9,-0.1 -2,-0.2 0.023 92.4 119.4-119.9 26.4 49.1 67.6 12.1 44 59 N A < - 0 0 13 -3,-2.2 -13,-0.0 1,-0.1 -12,-0.0 -0.864 51.1-155.1 -91.7 135.3 47.0 64.8 10.7 45 60 N T S S+ 0 0 26 -2,-0.5 2,-0.8 1,-0.2 203,-0.2 0.752 89.0 61.3 -75.6 -27.4 44.6 63.1 13.1 46 61 N V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.1 199,-0.2 -0.896 77.8-162.7-102.5 105.0 44.6 59.9 11.1 47 62 N K - 0 0 36 -2,-0.8 198,-0.2 198,-0.3 -1,-0.1 0.594 5.1-156.5 -71.3 -20.7 48.2 58.9 11.3 48 63 N M - 0 0 4 196,-1.6 196,-0.3 1,-0.2 197,-0.1 0.916 23.8-157.6 45.1 58.7 48.5 56.4 8.4 49 64 N L E -A 243 0A 19 194,-2.4 194,-2.9 1,-0.1 -1,-0.2 -0.516 14.1-121.0 -76.8 129.2 51.5 54.7 10.0 50 65 N P E -A 242 0A 25 0, 0.0 95,-0.3 0, 0.0 192,-0.2 -0.345 23.6-171.0 -64.5 139.2 53.9 52.7 7.8 51 66 N T - 0 0 6 190,-1.4 140,-0.1 2,-0.2 191,-0.1 0.487 30.1-129.9-106.7 -16.0 54.1 49.1 9.1 52 67 N F + 0 0 51 189,-0.3 2,-0.6 1,-0.2 96,-0.2 0.726 69.5 126.0 65.2 25.2 57.1 47.8 7.1 53 68 N V + 0 0 7 188,-0.3 188,-3.1 1,-0.1 -1,-0.2 -0.969 35.1 179.0-109.6 109.7 54.9 44.7 6.1 54 69 N R + 0 0 107 -2,-0.6 185,-0.4 186,-0.2 2,-0.3 0.561 56.4 17.5 -99.1 -1.3 55.1 44.8 2.3 55 70 N S S S- 0 0 74 186,-0.0 -1,-0.2 185,-0.0 3,-0.1 -0.993 71.5-110.7-161.6 152.5 53.1 41.8 1.3 56 71 N I - 0 0 29 -2,-0.3 144,-0.1 1,-0.2 145,-0.1 -0.349 70.0 -66.0 -75.6 167.7 50.5 39.2 2.6 57 72 N P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 384,-0.0 -0.182 42.0-163.6 -59.9 149.9 52.0 35.7 3.0 58 73 N D - 0 0 116 -3,-0.1 -2,-0.0 0, 0.0 146,-0.0 0.359 46.7-101.4-116.9 5.3 53.2 33.9 -0.1 59 74 N G S S+ 0 0 44 1,-0.0 145,-0.0 0, 0.0 0, 0.0 0.198 100.8 98.3 96.4 -13.0 53.5 30.4 1.1 60 75 N S + 0 0 60 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.391 54.0 114.5 -85.8 -2.1 57.3 30.3 1.6 61 76 N E + 0 0 5 2,-0.0 2,-0.3 0, 0.0 379,-0.1 -0.558 36.6 155.1 -71.8 144.7 57.0 31.0 5.3 62 77 N K + 0 0 134 -2,-0.3 2,-0.3 378,-0.1 21,-0.2 -0.978 16.4 83.7-163.6 142.4 58.1 28.1 7.5 63 78 N G E -F 82 0B 16 19,-1.8 19,-2.6 -2,-0.3 2,-0.5 -0.932 67.9 -80.0 151.7-174.1 59.4 27.9 11.0 64 79 N D E +F 81 0B 17 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.998 53.2 177.9-130.0 112.3 58.6 27.6 14.7 65 80 N F E -F 80 0B 5 15,-2.7 15,-2.8 -2,-0.5 2,-0.4 -0.899 30.8-136.6-124.3 161.9 57.7 30.9 16.3 66 81 N I E -Fg 79 135B 2 68,-2.4 70,-3.0 -2,-0.3 2,-0.5 -0.925 22.6-167.9-109.8 134.7 56.5 32.6 19.5 67 82 N A E -Fg 78 136B 1 11,-2.7 11,-2.5 -2,-0.4 2,-0.3 -0.980 6.8-160.7-125.7 124.3 53.9 35.3 19.3 68 83 N L E -Fg 77 137B 0 68,-3.0 70,-3.1 -2,-0.5 2,-0.4 -0.817 6.6-164.2 -91.6 149.2 52.9 37.7 22.0 69 84 N D E +Fg 76 138B 20 7,-2.6 7,-2.0 -2,-0.3 2,-0.4 -0.879 18.2 163.9-139.4 100.7 49.5 39.4 21.8 70 85 N L E + g 0 139B 2 68,-2.9 70,-2.0 -2,-0.4 5,-0.1 -0.970 45.9 40.7-127.7 133.8 48.9 42.5 24.0 71 86 N G S S+ 0 0 3 1,-0.5 88,-0.3 -2,-0.4 89,-0.1 0.180 87.9 88.3 126.0 -17.2 46.4 45.3 24.0 72 87 N G S S- 0 0 29 2,-0.4 -1,-0.5 -3,-0.1 87,-0.1 -0.115 104.6 -68.6 -88.2-160.0 43.1 43.6 23.2 73 88 N S S S+ 0 0 78 1,-0.1 2,-0.4 -2,-0.1 -3,-0.0 0.810 119.5 35.4 -67.6 -26.2 40.8 42.0 25.8 74 89 N S S S- 0 0 38 24,-0.1 2,-0.7 2,-0.0 -2,-0.4 -0.978 72.5-134.3-134.8 137.4 43.2 39.2 26.6 75 90 N F E - H 0 97B 6 22,-0.5 22,-2.6 -2,-0.4 2,-0.4 -0.774 38.7-179.4 -81.6 112.7 47.0 39.0 26.8 76 91 N R E -FH 69 96B 96 -7,-2.0 -7,-2.6 -2,-0.7 2,-0.4 -0.914 22.9-160.7-117.8 157.5 47.9 35.8 24.9 77 92 N I E -FH 68 95B 0 18,-2.0 18,-1.9 -2,-0.4 2,-0.3 -0.993 20.1-173.8-128.7 131.3 51.2 34.0 24.2 78 93 N L E -FH 67 94B 9 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.5 -0.920 25.4-147.4-128.2 152.2 51.2 31.5 21.3 79 94 N R E -FH 66 93B 30 14,-2.1 14,-1.7 -2,-0.3 2,-0.5 -0.996 27.4-170.6-112.6 120.2 53.7 29.0 19.8 80 95 N V E -FH 65 92B 0 -15,-2.8 -15,-2.7 -2,-0.5 2,-0.4 -0.954 11.5-169.5-120.7 118.4 53.0 28.9 16.1 81 96 N Q E -FH 64 91B 30 10,-3.1 10,-2.3 -2,-0.5 2,-0.5 -0.861 9.4-165.3-103.0 134.8 54.5 26.3 13.7 82 97 N V E -FH 63 90B 0 -19,-2.6 -19,-1.8 -2,-0.4 8,-0.2 -0.984 69.9 -24.2-127.1 122.6 54.1 27.0 10.0 83 98 N N E S+ 0 0 46 6,-3.6 7,-0.1 -2,-0.5 6,-0.1 0.855 89.3 140.6 44.8 39.9 54.7 24.4 7.3 84 99 N H E S+ 0 0 90 5,-0.5 2,-0.3 4,-0.2 -1,-0.2 0.626 72.7 22.3 -84.1 -13.3 57.0 22.8 10.0 85 100 N E E > S- H 0 88B 125 3,-0.5 3,-0.8 4,-0.3 -1,-0.2 -0.987 99.8 -89.4-150.1 148.0 55.7 19.5 8.8 86 101 N K T 3 S+ 0 0 196 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.266 107.3 16.5 -62.0 141.4 54.0 18.3 5.6 87 102 N N T 3 S+ 0 0 158 1,-0.1 2,-0.3 -4,-0.0 -1,-0.2 0.837 104.3 93.3 63.8 38.2 50.3 18.5 5.3 88 103 N Q E < -H 85 0B 45 -3,-0.8 -3,-0.5 1,-0.1 -5,-0.4 -0.830 50.0-174.7-155.4 96.7 49.9 20.9 8.2 89 104 N N E S- 0 0 94 -2,-0.3 -6,-3.6 1,-0.3 -5,-0.5 0.902 74.4 -1.1 -58.1 -76.4 49.9 24.5 7.2 90 105 N V E -H 82 0B 30 -8,-0.2 2,-0.4 -7,-0.1 -1,-0.3 -0.701 56.8-168.3-115.9 151.9 49.9 25.8 10.7 91 106 N H E -H 81 0B 77 -10,-2.3 -10,-3.1 -2,-0.3 2,-0.3 -0.993 18.9-174.2-135.3 127.6 49.8 24.3 14.2 92 107 N M E -H 80 0B 58 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.946 18.0-177.5-127.6 150.5 49.2 26.5 17.2 93 108 N E E -H 79 0B 58 -14,-1.7 -14,-2.1 -2,-0.3 2,-0.3 -0.963 19.9-175.7-134.0 151.5 49.1 26.3 21.0 94 109 N S E -H 78 0B 71 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.972 19.2-163.9-148.2 162.3 48.1 29.3 23.2 95 110 N E E -H 77 0B 42 -18,-1.9 -18,-2.0 -2,-0.3 2,-0.4 -0.988 15.7-142.7-146.5 138.5 47.8 30.6 26.8 96 111 N V E -H 76 0B 73 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.870 17.6-152.8 -98.0 134.5 45.9 33.6 28.2 97 112 N Y E -H 75 0B 20 -22,-2.6 -22,-0.5 -2,-0.4 21,-0.0 -0.939 19.0-120.8-112.5 125.5 47.6 35.4 31.1 98 113 N D - 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0 0 13 -2,-0.1 4,-2.4 1,-0.0 3,-0.3 -0.543 36.1 -92.1-110.5 177.2 26.1 63.8 20.8 261 276 N E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.880 126.1 55.4 -58.2 -35.9 25.9 64.7 24.5 262 277 N F H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 106.4 49.3 -63.6 -38.9 26.4 61.0 25.4 263 278 N D H > S+ 0 0 2 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.920 111.1 50.8 -63.7 -43.9 29.6 60.8 23.3 264 279 N R H X S+ 0 0 101 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 111.2 48.6 -61.9 -37.9 30.9 64.0 25.0 265 280 N A H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.961 111.8 46.6 -69.2 -45.3 30.1 62.5 28.5 266 281 N I H < S+ 0 0 12 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.929 114.8 49.5 -66.1 -39.0 31.8 59.2 27.8 267 282 N D H >< S+ 0 0 17 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.937 107.1 53.6 -63.5 -46.6 34.9 61.0 26.4 268 283 N A H 3< S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.906 115.1 39.8 -58.7 -40.9 35.2 63.5 29.3 269 284 N Y T 3< S+ 0 0 160 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.375 96.1 103.3 -93.0 11.5 35.3 60.7 31.9 270 285 N S S < S- 0 0 24 -3,-1.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.359 87.1-102.8 -83.5-179.3 37.5 58.2 30.0 271 286 N L S S+ 0 0 66 1,-0.2 -1,-0.1 -113,-0.2 -4,-0.1 0.701 117.9 35.1 -65.2 -30.4 41.2 57.5 30.5 272 287 N N S > S- 0 0 19 3,-0.1 3,-1.9 -5,-0.1 -1,-0.2 -0.592 82.8-160.8-126.7 63.0 42.1 59.7 27.4 273 288 N P T 3 S+ 0 0 74 0, 0.0 -5,-0.1 0, 0.0 3,-0.1 -0.214 76.6 14.1 -52.9 134.4 39.7 62.7 27.1 274 289 N G T 3 S+ 0 0 26 1,-0.2 3,-0.3 -10,-0.1 2,-0.3 0.348 109.0 101.2 86.1 -9.4 39.6 64.3 23.7 275 290 N K S < S+ 0 0 115 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.1 -0.720 76.0 13.8-119.2 149.1 41.4 61.4 22.0 276 291 N Q S > S+ 0 0 4 -2,-0.3 4,-2.0 1,-0.1 -28,-0.2 0.863 71.3 162.0 58.8 48.6 40.1 58.4 19.9 277 292 N L T 4 + 0 0 7 -3,-0.3 4,-0.4 1,-0.2 -29,-0.2 0.835 69.6 48.0 -70.1 -37.5 36.8 60.1 19.5 278 293 N F T >> S+ 0 0 0 -29,-1.1 3,-2.0 -31,-1.0 4,-0.5 0.937 111.0 52.2 -63.5 -47.3 35.6 58.0 16.5 279 294 N E H >> S+ 0 0 4 -32,-1.9 4,-2.8 1,-0.3 3,-1.5 0.891 102.4 59.9 -53.2 -42.3 36.7 54.8 18.3 280 295 N K H 3< S+ 0 0 2 -4,-2.0 -1,-0.3 -33,-0.4 -2,-0.2 0.698 103.8 50.5 -67.3 -12.7 34.6 55.9 21.3 281 296 N M H <4 S+ 0 0 1 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.521 123.6 29.4 -95.6 -2.0 31.4 56.0 19.1 282 297 N V H << S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.804 92.7 87.6-123.2 -43.9 32.2 52.4 17.8 283 298 N S S >X S- 0 0 0 -4,-2.8 4,-1.7 -5,-0.1 3,-1.4 -0.127 71.9-113.4 -88.1 168.2 34.0 50.0 19.9 284 299 N G H 3> S+ 0 0 16 -68,-2.6 4,-0.6 1,-0.3 37,-0.4 0.789 110.7 63.0 -61.5 -34.3 33.2 47.4 22.6 285 300 N M H 34 S+ 0 0 39 -68,-1.8 -1,-0.3 -69,-0.5 4,-0.3 0.807 118.1 27.4 -59.1 -34.2 35.0 49.2 25.4 286 301 N Y H <> S+ 0 0 7 -3,-1.4 4,-2.2 -69,-0.3 -2,-0.2 0.688 96.8 79.6-106.2 -21.4 32.5 52.1 25.0 287 302 N L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -3,-0.1 0.892 96.0 48.0 -66.4 -41.4 29.1 50.9 23.6 288 303 N G H X S+ 0 0 1 -4,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.892 112.6 50.1 -64.4 -38.0 27.6 49.6 26.8 289 304 N E H > S+ 0 0 16 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.915 108.0 53.5 -68.0 -32.2 28.6 52.7 28.7 290 305 N L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.957 110.5 47.3 -64.9 -47.7 27.0 54.9 25.9 291 306 N V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.957 111.2 51.3 -56.6 -55.5 23.8 52.9 26.5 292 307 N R H X S+ 0 0 9 -4,-2.9 4,-2.5 27,-0.3 -2,-0.2 0.931 109.2 50.4 -51.3 -47.9 24.1 53.3 30.3 293 308 N L H X S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.874 111.2 49.4 -56.1 -40.0 24.5 57.1 29.9 294 309 N I H X S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.3 -1,-0.2 0.898 110.6 49.3 -68.1 -40.2 21.4 57.2 27.7 295 310 N L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.876 108.1 54.4 -64.4 -42.7 19.3 55.2 30.1 296 311 N V H X S+ 0 0 13 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.980 110.6 45.2 -56.1 -52.2 20.4 57.4 33.0 297 312 N K H X S+ 0 0 62 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.923 114.8 48.5 -57.3 -46.9 19.2 60.6 31.2 298 313 N M H <>S+ 0 0 2 -4,-2.3 5,-2.9 2,-0.2 6,-0.7 0.919 111.1 49.9 -58.6 -43.4 15.9 58.9 30.2 299 314 N A H ><5S+ 0 0 0 -4,-2.7 3,-2.6 4,-0.2 -2,-0.2 0.957 107.5 54.5 -60.6 -48.0 15.3 57.6 33.7 300 315 N K H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.0 48.6 -57.3 -32.8 15.9 61.2 35.0 301 316 N E T 3<5S- 0 0 102 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.240 119.0-114.0 -88.4 6.2 13.2 62.4 32.6 302 317 N G T < 5S+ 0 0 43 -3,-2.6 -3,-0.2 2,-0.2 4,-0.2 0.635 84.1 122.0 71.6 16.9 10.9 59.6 33.8 303 318 N L S S+ 0 0 2 -6,-0.7 3,-2.3 -5,-0.1 4,-0.2 -0.984 122.8 2.1-137.1 151.6 12.2 54.6 31.9 305 320 N F G > S- 0 0 5 -2,-0.3 3,-3.1 1,-0.3 -1,-0.1 0.777 115.0 -76.6 50.1 29.5 11.6 52.8 35.2 306 321 N E G 3 S- 0 0 196 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.864 93.4 -53.8 48.6 38.3 9.0 55.4 36.2 307 322 N G G < S+ 0 0 33 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.490 96.0 154.3 77.9 3.3 12.0 57.6 37.1 308 323 N R < - 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0 0 88 -2,-0.5 4,-1.5 -32,-0.1 3,-0.4 -0.377 36.9-105.3 -98.7 177.9 28.7 46.5 29.4 321 336 N T H > S+ 0 0 16 -37,-0.4 4,-2.5 1,-0.2 5,-0.1 0.825 119.1 63.0 -69.5 -26.5 28.7 45.7 25.7 322 337 N S H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.884 102.4 51.1 -60.7 -37.7 28.1 42.1 26.5 323 338 N D H > S+ 0 0 30 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.906 108.0 51.6 -65.3 -38.8 24.8 43.2 28.0 324 339 N V H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.921 112.0 47.4 -62.3 -44.7 24.1 45.1 24.7 325 340 N S H < S+ 0 0 12 -4,-2.5 3,-0.4 2,-0.2 4,-0.3 0.931 112.4 47.8 -59.4 -46.2 24.8 41.9 22.8 326 341 N A H >< S+ 0 0 29 -4,-2.8 3,-1.6 1,-0.2 10,-0.2 0.937 111.0 52.5 -63.7 -42.4 22.6 39.7 25.1 327 342 N I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.1 55.0 -64.4 -29.5 19.8 42.2 24.9 328 343 N E T 3< S+ 0 0 9 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.438 77.8 126.0 -88.2 3.8 19.8 42.2 21.0 329 344 N K <> - 0 0 76 -3,-1.6 4,-1.7 -4,-0.3 5,-0.3 -0.388 66.0-124.4 -62.4 141.6 19.4 38.5 20.7 330 345 N N T 4 S+ 0 0 151 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.866 97.6 14.4 -53.2 -58.5 16.5 37.5 18.5 331 346 N K T 4 S+ 0 0 189 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.847 136.3 34.1 -93.8 -34.0 14.5 35.2 20.8 332 347 N E T > S+ 0 0 76 1,-0.1 4,-3.1 2,-0.1 3,-0.2 0.533 85.3 102.2 -99.6 -5.3 15.9 35.9 24.3 333 348 N G H X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.889 84.5 43.7 -46.3 -56.2 16.8 39.6 24.0 334 349 N L H > S+ 0 0 71 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.906 114.9 50.4 -63.2 -36.9 13.8 40.9 26.0 335 350 N H H > S+ 0 0 106 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.929 111.5 48.2 -63.7 -47.9 14.2 38.2 28.6 336 351 N N H X S+ 0 0 27 -4,-3.1 4,-3.0 -10,-0.2 -2,-0.2 0.906 108.6 54.5 -60.0 -41.8 17.9 39.1 28.9 337 352 N A H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.2 5,-0.4 0.907 107.4 51.8 -57.3 -44.3 17.0 42.8 29.2 338 353 N K H X S+ 0 0 75 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.960 113.2 41.9 -57.6 -52.3 14.7 42.0 32.1 339 354 N E H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 116.7 48.4 -59.9 -53.2 17.3 40.0 34.0 340 355 N I H X S+ 0 0 10 -4,-3.0 4,-0.6 2,-0.2 -2,-0.2 0.942 116.0 42.3 -53.2 -55.5 20.0 42.5 33.3 341 356 N L H ><>S+ 0 0 0 -4,-3.4 3,-1.9 2,-0.2 5,-1.1 0.917 108.9 59.3 -64.2 -38.1 17.9 45.6 34.3 342 357 N T H ><5S+ 0 0 68 -4,-3.0 3,-1.8 -5,-0.4 -1,-0.2 0.940 103.8 52.4 -54.1 -43.2 16.5 43.7 37.3 343 358 N R H 3<5S+ 0 0 173 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.694 93.2 73.5 -67.2 -14.0 20.1 43.4 38.5 344 359 N L T <<5S- 0 0 9 -3,-1.9 -31,-0.7 -4,-0.6 -32,-0.3 0.594 121.3-103.3 -74.2 -11.1 20.5 47.2 38.1 345 360 N G T < 5S+ 0 0 29 -3,-1.8 -3,-0.2 1,-0.4 -2,-0.1 0.284 90.2 113.5 106.0 -11.6 18.4 47.6 41.2 346 361 N V < - 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