==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-12 4F9O . COMPND 2 MOLECULE: HEXOKINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SHEN,R.B.HONZATKO . 1798 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1318 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 8.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 115 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 658 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 9 5 0 4 4 2 2 3 10 0 2 2 2 1 3 4 0 0 0 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 0 0 11 1 4 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 . 4 7 4 1 8 0 3 1 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 5 0 4 4 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 A D >> 0 0 152 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -16.0 -25.5 -43.9 69.1 2 17 A D H 3> + 0 0 118 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.830 360.0 68.2 -70.9 -32.8 -28.6 -42.2 67.6 3 18 A Q H 34 S+ 0 0 64 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.637 111.3 35.5 -60.4 -13.4 -27.6 -38.9 69.1 4 19 A V H <> S+ 0 0 32 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.786 110.7 55.4-106.7 -46.9 -24.6 -39.0 66.7 5 20 A K H < S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.623 109.7 55.3 -62.9 -10.9 -26.1 -40.6 63.6 6 21 A K T >X S+ 0 0 78 -4,-1.3 4,-2.0 -5,-0.2 3,-1.6 0.874 103.7 48.6 -87.4 -46.4 -28.6 -37.8 63.8 7 22 A I H 3> S+ 0 0 10 -4,-0.4 4,-2.5 1,-0.3 -2,-0.2 0.892 103.0 65.5 -58.3 -39.3 -26.2 -34.9 63.9 8 23 A D H 3< S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.675 109.4 38.0 -56.6 -18.8 -24.5 -36.6 60.9 9 24 A K H X4 S+ 0 0 131 -3,-1.6 3,-1.0 -5,-0.2 -1,-0.2 0.726 113.3 54.2-104.0 -32.2 -27.8 -35.9 59.0 10 25 A Y H >< S+ 0 0 66 -4,-2.0 3,-0.5 1,-0.3 -2,-0.2 0.984 117.2 36.0 -64.0 -60.0 -28.5 -32.4 60.4 11 26 A L G >< S+ 0 0 4 -4,-2.5 3,-1.6 1,-0.2 -1,-0.3 -0.069 86.6 132.4 -82.7 34.5 -25.1 -31.0 59.5 12 27 A Y G X + 0 0 169 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.852 61.0 59.2 -53.8 -42.9 -25.5 -33.2 56.4 13 28 A A G < S+ 0 0 55 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.613 98.0 62.2 -67.0 -12.3 -24.5 -30.4 54.0 14 29 A M G < S+ 0 0 4 -3,-1.6 2,-0.5 1,-0.1 -1,-0.3 0.098 84.6 85.3-102.7 21.8 -21.1 -30.0 55.8 15 30 A R < - 0 0 134 -3,-1.5 2,-0.4 -7,-0.1 -1,-0.1 -0.890 65.7-162.7-124.3 99.1 -20.0 -33.5 55.0 16 31 A L - 0 0 27 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.659 9.5-138.5 -88.3 132.8 -18.4 -33.6 51.5 17 32 A S >> - 0 0 59 -2,-0.4 4,-2.9 1,-0.1 3,-0.8 -0.452 26.3-111.5 -82.7 159.4 -17.9 -36.9 49.7 18 33 A D H 3> S+ 0 0 64 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.870 123.6 60.4 -55.8 -35.5 -14.8 -37.8 47.8 19 34 A E H 3> S+ 0 0 156 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.874 110.3 41.9 -56.6 -37.6 -17.0 -37.5 44.8 20 35 A T H X> S+ 0 0 45 -3,-0.8 4,-2.1 2,-0.2 3,-0.8 0.949 109.7 53.5 -75.2 -54.0 -17.5 -33.9 45.9 21 36 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.783 105.8 58.3 -53.8 -28.1 -13.9 -33.0 46.8 22 37 A I H 3X S+ 0 0 65 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.3 0.891 105.0 47.9 -69.2 -41.0 -13.0 -34.2 43.4 23 38 A D H X S+ 0 0 127 -4,-1.1 4,-2.2 2,-0.2 3,-0.6 0.934 105.8 59.3 -74.6 -49.7 -9.3 -24.2 36.4 31 46 A E H 3X S+ 0 0 20 -4,-2.3 4,-1.6 1,-0.3 15,-0.2 0.800 104.4 55.1 -49.6 -30.5 -9.3 -21.2 38.6 32 47 A M H 3X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.919 105.7 49.1 -69.3 -45.1 -5.5 -21.5 38.5 33 48 A K H > S+ 0 0 61 -7,-0.2 3,-2.0 1,-0.1 4,-1.8 0.541 95.7 94.5-101.7 -9.1 -8.8 -13.8 32.1 41 56 A N T 3< S+ 0 0 31 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.871 80.8 57.7 -52.1 -43.1 -6.6 -12.9 35.1 42 57 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.680 113.6 40.7 -65.0 -14.9 -8.4 -9.6 35.7 43 58 A T T <4 S+ 0 0 46 -3,-2.0 -2,-0.2 -9,-0.2 -8,-0.1 0.710 93.8 101.8 -99.6 -29.1 -11.7 -11.5 36.2 44 59 A A < - 0 0 9 -4,-1.8 3,-0.0 -10,-0.3 -12,-0.0 -0.200 59.9-150.7 -62.1 147.3 -10.3 -14.5 38.2 45 60 A T S S+ 0 0 19 1,-0.1 2,-0.9 201,-0.0 203,-0.2 0.702 88.0 70.4 -88.7 -25.5 -10.9 -14.7 41.9 46 61 A V S S- 0 0 0 -15,-0.2 199,-0.1 1,-0.1 -1,-0.1 -0.839 72.4-164.9 -94.2 103.3 -7.7 -16.7 42.4 47 62 A K - 0 0 60 -2,-0.9 198,-0.2 198,-0.4 -1,-0.1 0.642 6.9-157.3 -70.7 -18.0 -5.0 -14.1 41.7 48 63 A M - 0 0 4 196,-1.2 196,-0.3 1,-0.1 -1,-0.1 0.871 25.8-159.2 40.1 47.2 -2.0 -16.5 41.2 49 64 A L E -A 243 0A 13 194,-1.5 194,-3.0 193,-0.1 2,-0.3 -0.229 13.7-118.3 -59.4 140.6 0.2 -13.5 42.1 50 65 A P E -A 242 0A 23 0, 0.0 95,-0.2 0, 0.0 192,-0.2 -0.621 23.3-169.8 -80.1 139.3 3.9 -13.5 41.1 51 66 A T - 0 0 4 190,-1.8 140,-0.2 -2,-0.3 191,-0.1 0.613 29.2-129.7-108.0 -17.3 6.3 -13.4 44.0 52 67 A F + 0 0 50 189,-0.4 2,-0.5 1,-0.3 96,-0.2 0.860 64.9 129.7 67.3 35.9 9.6 -12.8 42.2 53 68 A V - 0 0 10 188,-0.3 188,-2.2 1,-0.1 -1,-0.3 -0.993 40.3-166.9-120.5 119.7 11.3 -15.6 44.1 54 69 A R - 0 0 110 -2,-0.5 185,-0.3 1,-0.2 2,-0.3 0.682 58.3 -21.4 -88.0 -20.1 13.1 -17.9 41.7 55 70 A S S S- 0 0 72 186,-0.0 -1,-0.2 185,-0.0 3,-0.1 -0.948 72.6 -75.5 179.8 161.2 13.9 -20.9 43.8 56 71 A I - 0 0 23 -2,-0.3 144,-0.1 153,-0.2 145,-0.1 -0.183 69.1 -73.3 -64.5 158.8 14.4 -22.4 47.3 57 72 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 384,-0.1 -0.216 39.2-169.6 -56.2 142.4 17.6 -21.6 49.3 58 73 A D - 0 0 105 -3,-0.1 -2,-0.1 149,-0.0 149,-0.0 0.664 49.2-101.1-104.7 -25.8 20.6 -23.5 48.0 59 74 A G S S+ 0 0 20 381,-0.1 25,-0.2 3,-0.0 145,-0.0 0.058 100.1 101.8 125.5 -22.8 23.0 -22.7 50.9 60 75 A S + 0 0 64 24,-0.1 25,-0.1 23,-0.1 2,-0.1 0.525 54.6 117.0 -69.0 -4.7 25.0 -19.9 49.3 61 76 A E + 0 0 7 22,-0.0 23,-0.4 23,-0.0 2,-0.3 -0.401 40.5 160.8 -63.2 140.8 22.9 -17.5 51.3 62 77 A K + 0 0 111 21,-0.1 2,-0.3 22,-0.1 21,-0.2 -0.960 16.7 62.8-164.1 147.2 25.0 -15.5 53.8 63 78 A G E S-F 82 0B 32 19,-2.3 19,-2.7 -2,-0.3 2,-0.4 -0.866 71.9 -72.4 135.3-169.0 24.8 -12.4 55.9 64 79 A D E +F 81 0B 26 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.997 52.1 160.8-130.2 127.8 22.9 -10.8 58.7 65 80 A F E -F 80 0B 5 15,-2.2 15,-1.5 -2,-0.4 2,-0.4 -0.926 33.9-123.7-142.6 166.5 19.3 -9.5 58.3 66 81 A I E -h 135 0C 0 68,-1.9 70,-3.6 -2,-0.3 2,-0.4 -0.936 23.1-159.0-112.5 135.7 16.1 -8.6 60.1 67 82 A A E -h 136 0C 1 -2,-0.4 11,-2.5 11,-0.3 2,-0.3 -0.924 0.6-157.5-116.0 140.1 12.7 -10.1 59.3 68 83 A L E -hI 137 77C 1 68,-1.1 70,-3.1 -2,-0.4 2,-0.4 -0.849 3.9-166.6-112.0 152.2 9.3 -8.7 60.1 69 84 A D E +hI 138 76C 15 7,-2.0 7,-1.3 -2,-0.3 2,-0.3 -0.906 16.5 158.4-144.2 111.2 6.1 -10.7 60.3 70 85 A L E +h 139 0C 4 68,-2.3 70,-1.9 -2,-0.4 5,-0.1 -0.962 52.9 46.1-131.8 148.3 2.6 -9.1 60.3 71 86 A G S S+ 0 0 3 1,-0.4 88,-0.2 -2,-0.3 89,-0.1 0.114 90.0 91.9 109.2 -21.5 -0.8 -10.5 59.5 72 87 A G S S- 0 0 26 2,-0.4 -1,-0.4 145,-0.1 -3,-0.0 -0.192 102.7 -69.6 -90.4-171.1 -0.5 -13.8 61.5 73 88 A S S S+ 0 0 94 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.892 118.8 22.4 -46.0 -47.3 -1.5 -14.6 65.0 74 89 A S S S- 0 0 40 24,-0.1 2,-1.1 -4,-0.0 -2,-0.4 -0.934 77.5-118.7-130.6 149.9 1.3 -12.4 66.4 75 90 A F E - J 0 97C 6 22,-0.6 22,-2.3 -2,-0.3 2,-0.3 -0.728 45.7-177.5 -85.7 97.9 3.5 -9.5 65.1 76 91 A R E -IJ 69 96C 64 -7,-1.3 -7,-2.0 -2,-1.1 2,-0.4 -0.679 22.0-163.9-103.5 150.9 7.0 -10.9 65.3 77 92 A I E +IJ 68 95C 0 18,-2.2 18,-0.6 -2,-0.3 -9,-0.2 -0.983 20.5 175.6-131.5 120.8 10.4 -9.4 64.6 78 93 A L - 0 0 6 -11,-2.5 -11,-0.3 -2,-0.4 16,-0.2 -0.270 24.2-141.2-109.5-165.3 13.3 -11.8 64.1 79 94 A R - 0 0 31 14,-0.4 14,-1.5 -13,-0.2 2,-0.6 -0.719 12.1-167.5-163.8 109.9 17.0 -11.7 63.2 80 95 A V E +FG 65 92B 1 -15,-1.5 -15,-2.2 -2,-0.2 2,-0.4 -0.905 10.2 176.6-107.1 119.8 18.6 -14.4 61.0 81 96 A Q E +FG 64 91B 53 10,-2.4 10,-2.3 -2,-0.6 2,-0.3 -0.981 9.2 156.5-123.5 131.3 22.4 -14.4 60.9 82 97 A V E +F 63 0B 6 -19,-2.7 -19,-2.3 -2,-0.4 2,-0.4 -0.871 18.6 173.6-159.7 126.0 24.4 -17.0 59.0 83 98 A N E > + G 0 88B 21 5,-1.0 5,-6.3 -2,-0.3 -21,-0.1 -0.955 6.2 178.7-127.2 119.5 27.7 -17.5 57.4 84 99 A H T > 5S+ 0 0 73 -2,-0.4 3,-1.8 -23,-0.4 -1,-0.1 0.820 83.8 67.2 -72.3 -34.5 28.7 -20.9 56.0 85 100 A E T 3 5S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.918 110.0 33.0 -53.7 -50.8 32.0 -19.4 54.9 86 101 A K T 3 5S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.242 124.6-110.9 -86.7 10.7 33.1 -18.9 58.5 87 102 A N T < 5 + 0 0 129 -3,-1.8 2,-0.7 1,-0.2 -3,-0.3 0.967 61.7 160.4 58.3 56.8 31.1 -22.1 59.0 88 103 A Q E < -G 83 0B 103 -5,-6.3 -5,-1.0 3,-0.0 -1,-0.2 -0.836 33.7-138.0-114.4 93.0 28.4 -20.3 61.1 89 104 A N E - 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0 0 28 -2,-0.2 5,-0.1 4,-0.0 -1,-0.1 -0.843 16.4-142.7-130.6 94.8 -0.7 -5.0 68.8 100 115 A P >> - 0 0 45 0, 0.0 3,-2.3 0, 0.0 4,-1.6 -0.119 24.0-112.3 -56.3 148.4 -4.1 -4.0 70.2 101 116 A E H 3> S+ 0 0 102 1,-0.3 4,-0.6 2,-0.2 5,-0.1 0.784 116.7 65.2 -53.4 -29.9 -7.3 -4.4 68.1 102 117 A N H 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.777 104.1 45.6 -65.5 -25.9 -7.5 -0.6 68.0 103 118 A I H X4 S+ 0 0 16 -3,-2.3 3,-1.2 2,-0.2 8,-0.3 0.905 108.3 53.1 -81.5 -46.9 -4.3 -0.5 66.0 104 119 A V H 3< S+ 0 0 15 -4,-1.6 57,-2.3 1,-0.3 -2,-0.2 0.595 120.1 38.5 -63.3 -9.7 -5.2 -3.3 63.6 105 120 A H T 3< S+ 0 0 57 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.364 103.5 82.1-123.1 0.7 -8.4 -1.3 62.9 106 121 A G S < S- 0 0 15 -3,-1.2 57,-1.6 1,-0.2 2,-0.2 0.183 92.1 -52.6 -86.3-152.2 -7.1 2.3 63.0 107 122 A S B > -l 163 0D 23 55,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.525 48.3-112.6 -84.6 155.3 -5.4 4.3 60.3 108 123 A G H >>S+ 0 0 4 55,-2.7 4,-4.0 1,-0.2 5,-0.5 0.893 119.1 63.3 -51.0 -40.4 -2.3 3.1 58.4 109 124 A S H >5S+ 0 0 73 54,-0.2 4,-2.5 2,-0.2 5,-0.3 0.944 106.5 41.7 -48.3 -56.3 -0.5 5.9 60.2 110 125 A Q H >5S+ 0 0 63 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.964 118.6 45.5 -55.7 -56.2 -1.2 4.3 63.5 111 126 A L H X5S+ 0 0 0 -4,-2.4 4,-2.3 -8,-0.3 -2,-0.2 0.919 120.1 37.7 -56.7 -50.6 -0.5 0.7 62.3 112 127 A F H X5S+ 0 0 3 -4,-4.0 4,-1.9 2,-0.2 -1,-0.2 0.768 113.8 54.6 -79.3 -25.1 2.7 1.6 60.4 113 128 A D H XX>S+ 0 0 4 -4,-1.7 5,-1.7 -3,-0.4 3,-1.0 0.772 108.2 57.3 -83.8 -28.7 17.1 -2.6 67.2 124 139 A E T 3<5S+ 0 0 110 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.349 100.6 62.5 -81.5 6.3 17.7 -0.5 70.3 125 140 A K T 345S+ 0 0 114 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.417 117.9 23.5-109.0 -4.7 17.8 -3.8 72.2 126 141 A R T <45S- 0 0 59 -3,-1.0 -2,-0.2 -4,-0.1 -3,-0.1 0.283 103.3-123.0-133.0 -3.8 20.9 -5.1 70.4 127 142 A K T <5 + 0 0 153 -4,-0.9 3,-0.3 1,-0.1 -3,-0.2 0.881 67.5 138.8 55.8 40.9 22.2 -1.7 69.4 128 143 A I > < + 0 0 7 -5,-1.7 3,-0.5 1,-0.2 5,-0.4 0.165 34.4 104.4 -97.2 16.2 22.1 -2.9 65.8 129 144 A K T 3 S+ 0 0 34 -6,-0.6 56,-0.3 1,-0.2 -1,-0.2 0.944 78.4 48.3 -60.2 -51.6 20.8 0.5 64.7 130 145 A D T 3 S+ 0 0 147 -3,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.593 93.1 98.0 -69.6 -10.6 24.1 1.7 63.2 131 146 A K S < S- 0 0 117 -3,-0.5 2,-2.2 1,-0.1 -3,-0.0 -0.692 77.9-134.7 -82.9 127.7 24.3 -1.6 61.4 132 147 A K + 0 0 193 -2,-0.5 -1,-0.1 54,-0.1 -2,-0.1 -0.163 43.0 169.2 -76.0 46.7 23.2 -1.4 57.7 133 148 A L - 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0 0 83 -2,-0.6 4,-1.5 -32,-0.1 5,-0.1 -0.506 31.3-123.6 -91.9 157.9 -13.0 -20.2 70.2 321 336 A T H > S+ 0 0 20 -37,-0.3 4,-1.9 2,-0.2 5,-0.1 0.738 116.7 64.2 -67.0 -22.1 -11.1 -22.5 67.8 322 337 A S H > S+ 0 0 74 2,-0.2 4,-3.5 1,-0.2 3,-0.4 0.967 101.6 46.3 -60.0 -54.9 -9.1 -23.3 70.9 323 338 A D H > S+ 0 0 29 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.818 108.9 56.9 -57.8 -33.3 -12.3 -24.8 72.4 324 339 A V H X S+ 0 0 1 -4,-1.5 4,-0.7 2,-0.2 -1,-0.3 0.894 113.3 39.5 -65.8 -39.2 -12.8 -26.6 69.2 325 340 A S H < S+ 0 0 10 -4,-1.9 3,-0.5 -3,-0.4 4,-0.4 0.890 113.2 54.5 -75.2 -42.2 -9.4 -28.2 69.5 326 341 A A H >< S+ 0 0 22 -4,-3.5 3,-0.7 1,-0.2 10,-0.3 0.843 107.8 51.4 -60.2 -35.0 -9.7 -28.7 73.2 327 342 A I H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.769 105.1 56.4 -73.9 -25.5 -13.0 -30.6 72.7 328 343 A E T 3< S+ 0 0 10 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.448 76.3 119.0 -91.4 1.4 -11.4 -32.9 70.1 329 344 A K <> - 0 0 105 -3,-0.7 4,-1.2 -4,-0.4 5,-0.2 -0.371 66.1-129.1 -63.5 145.6 -8.6 -34.2 72.3 330 345 A N T 4 S+ 0 0 139 2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.972 95.3 23.7 -66.1 -58.2 -8.8 -38.0 72.8 331 346 A K T 4 S+ 0 0 185 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.887 135.5 27.9 -77.9 -37.4 -8.6 -38.5 76.5 332 347 A E T > S+ 0 0 89 1,-0.1 4,-2.6 2,-0.1 5,-0.3 0.423 84.9 104.6-108.7 -0.0 -9.8 -35.2 77.8 333 348 A G H X S+ 0 0 0 -4,-1.2 4,-3.4 1,-0.2 -1,-0.1 0.896 84.8 43.5 -54.6 -52.0 -12.1 -33.8 75.2 334 349 A L H > S+ 0 0 67 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.862 113.0 53.5 -65.6 -36.1 -15.4 -34.4 76.9 335 350 A H H > S+ 0 0 110 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.957 113.7 42.4 -59.6 -51.7 -14.1 -33.2 80.2 336 351 A N H X S+ 0 0 34 -4,-2.6 4,-3.2 -10,-0.3 5,-0.3 0.915 110.7 57.5 -59.1 -45.6 -13.0 -29.9 78.5 337 352 A A H X S+ 0 0 0 -4,-3.4 4,-3.9 -5,-0.3 5,-0.3 0.953 106.2 49.2 -49.0 -56.6 -16.2 -29.8 76.6 338 353 A K H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.940 112.8 46.9 -46.7 -58.6 -18.1 -29.8 79.9 339 354 A E H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.920 117.5 41.9 -52.3 -51.9 -16.0 -27.0 81.3 340 355 A I H X S+ 0 0 25 -4,-3.2 4,-0.8 1,-0.2 -1,-0.2 0.924 116.8 47.6 -63.6 -45.6 -16.3 -24.9 78.2 341 356 A L H < S+ 0 0 0 -4,-3.9 5,-0.3 -5,-0.3 -1,-0.2 0.744 112.0 51.8 -68.7 -23.3 -20.0 -25.6 77.8 342 357 A T H >< S+ 0 0 69 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.2 0.862 102.5 56.1 -81.2 -38.9 -20.6 -24.9 81.4 343 358 A R H 3< S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 98.2 68.0 -60.2 -22.2 -18.8 -21.5 81.3 344 359 A L T 3< S- 0 0 12 -4,-0.8 -31,-0.4 -5,-0.2 -1,-0.3 0.529 111.9-120.5 -77.6 -6.6 -21.4 -20.8 78.6 345 360 A G S < S+ 0 0 29 -3,-2.0 -3,-0.1 1,-0.3 -1,-0.1 -0.159 75.3 119.0 95.8 -40.8 -24.2 -20.8 81.1 346 361 A V S S- 0 0 1 -5,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 -0.062 77.1-109.0 -50.9 161.5 -26.1 -23.7 79.5 347 362 A E - 0 0 122 -42,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.699 38.2-149.3-100.1 83.0 -26.6 -26.8 81.7 348 363 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.276 10.0-161.3 -57.9 122.1 -24.3 -29.2 79.9 349 364 A S >> - 0 0 39 1,-0.1 4,-2.1 -2,-0.1 3,-0.6 -0.719 36.6-108.4 -96.9 155.3 -25.4 -32.9 80.2 350 365 A D T 34 S+ 0 0 118 -2,-0.3 4,-0.4 1,-0.3 -1,-0.1 0.758 125.9 54.7 -53.6 -21.4 -22.9 -35.7 79.5 351 366 A D T >> S+ 0 0 97 2,-0.2 4,-1.7 1,-0.1 3,-0.5 0.862 102.8 52.8 -77.8 -40.0 -25.0 -36.0 76.3 352 367 A D H <> S+ 0 0 11 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.888 104.8 56.1 -62.0 -40.1 -24.5 -32.4 75.3 353 368 A C H 3X S+ 0 0 3 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.751 108.9 48.6 -63.3 -23.9 -20.7 -32.8 75.6 354 369 A V H <4 S+ 0 0 45 -3,-0.5 4,-0.3 -4,-0.4 -1,-0.2 0.794 112.8 45.2 -86.8 -32.3 -21.0 -35.7 73.2 355 370 A S H >X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 3,-0.8 0.920 114.6 48.1 -74.9 -46.5 -23.1 -33.8 70.6 356 371 A V H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 3,-0.3 0.938 107.1 55.5 -58.7 -49.3 -21.0 -30.7 70.8 357 372 A Q H 3X S+ 0 0 48 -4,-1.2 4,-0.6 -5,-0.3 -1,-0.3 0.718 109.6 50.4 -57.3 -20.0 -17.8 -32.7 70.4 358 373 A H H <> S+ 0 0 32 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.828 104.5 53.1 -88.6 -36.2 -19.3 -34.1 67.3 359 374 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.3 5,-0.2 0.924 108.5 53.3 -60.5 -43.2 -20.3 -30.7 65.7 360 375 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.848 108.5 50.9 -57.9 -36.4 -16.7 -29.7 66.3 361 376 A T H X S+ 0 0 34 -4,-0.6 4,-2.8 -5,-0.2 5,-0.3 0.945 110.2 46.3 -68.6 -50.7 -15.6 -32.9 64.4 362 377 A I H X S+ 0 0 11 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.910 117.2 45.8 -57.0 -44.1 -17.9 -32.3 61.3 363 378 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.903 117.8 40.3 -68.4 -44.8 -16.7 -28.6 61.2 364 379 A S H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.817 112.2 56.6 -76.3 -31.0 -13.0 -29.3 61.6 365 380 A F H X S+ 0 0 82 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.885 105.6 52.7 -66.4 -37.4 -13.1 -32.3 59.4 366 381 A R H X S+ 0 0 2 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.912 104.6 53.6 -66.3 -44.6 -14.5 -30.2 56.6 367 382 A S H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-0.3 0.960 112.3 44.1 -53.7 -55.3 -11.8 -27.5 56.7 368 383 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.888 111.6 54.3 -57.8 -42.5 -9.0 -30.1 56.4 369 384 A N H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.860 107.6 50.5 -60.9 -37.3 -10.9 -31.9 53.6 370 385 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 -3,-0.3 5,-0.2 0.930 106.6 52.0 -68.2 -47.5 -11.2 -28.7 51.6 371 386 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.779 108.4 55.4 -59.0 -25.2 -7.6 -27.8 51.8 372 387 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.921 104.0 52.7 -71.1 -44.9 -7.1 -31.4 50.5 373 388 A A H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.924 117.0 37.3 -54.9 -49.4 -9.3 -30.7 47.5 374 389 A T H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-1.5 0.939 114.6 51.3 -73.1 -50.1 -7.3 -27.6 46.5 375 390 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 5,-0.2 0.859 104.1 61.4 -55.9 -34.7 -3.8 -28.8 47.4 376 391 A G H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.821 102.6 52.0 -59.6 -30.5 -4.6 -31.8 45.3 377 392 A A H - 0 0 8 -2,-0.3 4,-2.2 -185,-0.2 3,-0.2 0.223 63.8-101.0 116.1 124.3 -0.4 -22.0 61.1 400 415 A S H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.820 116.5 50.7 -35.6 -59.9 -1.9 -22.3 64.5 401 416 A L H >> S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.953 114.9 42.0 -49.0 -59.5 -4.9 -24.6 63.6 402 417 A Y H 34 S+ 0 0 10 -187,-2.1 7,-0.4 -3,-0.2 -1,-0.2 0.828 119.1 49.0 -57.5 -31.0 -2.7 -27.1 61.7 403 418 A K H 3< S+ 0 0 121 -4,-2.2 -1,-0.2 -188,-0.3 -2,-0.2 0.729 122.9 25.7 -83.0 -25.2 -0.2 -26.8 64.5 404 419 A T H << S+ 0 0 93 -4,-2.4 -3,-0.2 -3,-0.6 -2,-0.2 0.699 88.2 101.8-115.5 -25.7 -2.4 -27.2 67.6 405 420 A H X - 0 0 6 -4,-2.7 4,-0.7 -5,-0.4 3,-0.1 -0.504 61.2-148.2 -67.7 122.0 -5.5 -29.2 66.5 406 421 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.397 93.6 28.0 -72.7 2.0 -5.0 -32.8 67.7 407 422 A Q T > S+ 0 0 12 3,-0.1 4,-2.3 -78,-0.0 5,-0.2 0.483 101.4 81.2-133.6 -14.7 -6.9 -34.4 64.8 408 423 A Y H > S+ 0 0 1 2,-0.2 4,-3.1 -7,-0.2 5,-0.2 0.974 93.1 42.0 -64.0 -64.5 -6.5 -31.9 61.9 409 424 A S H X S+ 0 0 29 -4,-0.7 4,-2.7 -7,-0.4 5,-0.3 0.958 116.3 51.3 -45.8 -62.7 -3.0 -32.7 60.5 410 425 A R H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 114.5 41.8 -38.0 -61.8 -3.7 -36.4 60.8 411 426 A R H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.902 114.8 50.5 -58.9 -46.9 -7.1 -36.2 58.9 412 427 A F H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.941 106.4 52.2 -60.9 -52.9 -5.9 -33.8 56.2 413 428 A H H X S+ 0 0 34 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.901 111.1 50.3 -50.7 -44.3 -2.8 -35.7 55.2 414 429 A K H X S+ 0 0 146 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.945 109.4 48.4 -61.3 -51.9 -4.9 -38.8 54.7 415 430 A T H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 3,-0.2 0.906 114.0 47.9 -56.3 -44.4 -7.6 -37.1 52.6 416 431 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.964 108.4 50.9 -62.0 -55.7 -4.9 -35.6 50.4 417 432 A R H < S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.718 113.7 50.4 -56.5 -19.9 -2.9 -38.7 49.8 418 433 A R H < S+ 0 0 96 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.874 107.7 49.0 -84.6 -42.6 -6.2 -40.3 48.9 419 434 A L H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.820 130.4 21.6 -67.4 -31.9 -7.3 -37.6 46.4 420 435 A V >< + 0 0 7 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.3 -0.506 69.3 154.4-135.5 65.8 -4.0 -37.8 44.6 421 436 A P T 3 + 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.549 59.8 87.2 -70.8 -6.7 -2.4 -41.1 45.5 422 437 A D T 3 S+ 0 0 73 -3,-0.1 -31,-1.1 -4,-0.1 2,-0.3 0.193 89.5 59.5 -77.0 18.2 -0.4 -40.9 42.2 423 438 A S E < S-e 391 0A 10 -3,-0.7 2,-0.7 -33,-0.2 -31,-0.2 -0.998 72.6-139.1-151.0 143.9 2.1 -38.9 44.3 424 439 A D E -e 392 0A 76 -33,-2.3 -31,-0.7 -2,-0.3 2,-0.4 -0.909 33.7-175.2-104.0 109.8 4.4 -39.4 47.3 425 440 A V E -e 393 0A 12 -2,-0.7 2,-0.4 -33,-0.2 -31,-0.2 -0.882 17.4-154.4-115.7 138.2 4.3 -36.2 49.3 426 441 A R E -e 394 0A 131 -33,-1.8 -31,-3.4 -2,-0.4 2,-0.8 -0.894 8.1-150.6-106.5 137.6 6.2 -35.1 52.4 427 442 A F E -e 395 0A 23 -2,-0.4 2,-0.3 -33,-0.2 -31,-0.2 -0.708 14.8-172.3-108.6 81.1 4.7 -32.5 54.8 428 443 A L E -e 396 0A 31 -2,-0.8 -31,-1.0 -33,-0.6 2,-0.5 -0.570 15.2-144.3 -71.9 130.1 7.6 -30.7 56.4 429 444 A L E -e 397 0A 64 -2,-0.3 -31,-0.2 -33,-0.2 -33,-0.1 -0.849 12.3-122.6-101.9 128.8 6.3 -28.4 59.2 430 445 A S + 0 0 5 -33,-2.9 -232,-0.1 -2,-0.5 4,-0.1 -0.255 29.8 173.1 -61.9 153.6 8.0 -25.1 59.8 431 446 A E S S+ 0 0 175 -33,-0.0 -1,-0.1 -230,-0.0 3,-0.1 0.445 78.9 53.1-134.8 -23.1 9.3 -24.5 63.3 432 447 A S S > S- 0 0 27 1,-0.2 2,-1.1 2,-0.0 3,-0.6 0.516 99.3-138.0 -91.3 -9.4 11.1 -21.2 62.8 433 448 A G T 3 - 0 0 14 1,-0.2 -1,-0.2 2,-0.1 -232,-0.1 -0.718 60.7 -40.3 92.8 -91.5 7.9 -19.7 61.4 434 449 A S T 3> S+ 0 0 5 -2,-1.1 4,-3.5 -3,-0.1 5,-0.3 0.439 111.4 97.3-141.5 -32.2 9.1 -17.6 58.4 435 450 A G H <> S+ 0 0 2 -3,-0.6 4,-3.3 1,-0.2 5,-0.3 0.785 88.7 45.3 -30.7 -54.4 12.3 -15.9 59.5 436 451 A K H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.987 118.6 38.2 -62.0 -64.1 14.5 -18.5 57.9 437 452 A G H > S+ 0 0 0 -240,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.868 120.6 49.9 -53.8 -38.8 12.8 -18.8 54.5 438 453 A A H >X S+ 0 0 2 -4,-3.5 4,-2.4 2,-0.2 3,-1.0 0.950 110.2 46.8 -66.5 -52.3 12.2 -15.1 54.6 439 454 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.3 -1,-0.2 0.831 108.2 57.7 -60.4 -32.7 15.8 -14.1 55.5 440 455 A M H 3X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.3 -1,-0.3 0.778 108.1 48.1 -66.1 -26.7 16.9 -16.5 52.8 441 456 A V H X S+ 0 0 98 -4,-2.6 4,-1.4 -5,-0.3 3,-0.6 0.952 112.3 40.2 -42.9 -62.5 22.5 -9.2 46.7 448 463 A L H 3X S+ 0 0 103 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.804 110.6 59.6 -60.4 -32.6 20.7 -8.1 43.6 449 464 A A H 3X S+ 0 0 40 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.860 102.2 54.1 -64.8 -35.8 19.9 -4.7 45.1 450 465 A E H < S+ 0 0 21 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.938 117.7 47.0 -67.2 -47.9 27.4 4.6 37.1 459 474 A L H >< S+ 0 0 9 -4,-2.9 3,-2.2 1,-0.2 4,-0.3 0.775 96.6 75.0 -66.3 -26.3 24.5 5.6 34.8 460 475 A A H >< S+ 0 0 58 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.848 84.2 65.9 -55.4 -34.9 23.7 8.6 37.1 461 476 A H T << S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.692 96.1 57.2 -61.5 -18.4 26.8 10.3 35.6 462 477 A F T < S+ 0 0 3 -3,-2.2 2,-0.4 -4,-0.2 -1,-0.3 0.506 85.5 100.4 -89.5 -7.1 24.9 10.4 32.3 463 478 A H < - 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0 0 4 -33,-2.8 3,-0.4 -2,-0.4 -31,-0.2 -0.618 21.0-170.5 -72.4 117.0 -15.1 6.5 53.4 1779 894 B E S S+ 0 0 73 -2,-0.6 -1,-0.2 1,-0.2 -33,-0.1 0.466 78.4 42.2 -89.2 -1.0 -13.7 3.0 53.8 1780 895 B D S S- 0 0 70 1,-0.4 4,-0.5 -1617,-0.0 3,-0.2 -0.177 102.0-110.2-143.6 49.1 -16.3 2.0 56.5 1781 896 B G - 0 0 24 -3,-0.4 -1,-0.4 1,-0.2 4,-0.3 0.121 54.6 -58.6 56.7-171.1 -19.8 3.2 55.8 1782 897 B S S > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.601 102.6 105.6 -84.0 -12.9 -21.7 5.9 57.6 1783 898 B G H > S+ 0 0 3 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.830 80.2 43.2 -32.4 -67.4 -21.5 4.2 61.0 1784 899 B K H > S+ 0 0 43 -4,-0.5 4,-2.2 -3,-0.3 5,-0.2 0.948 114.3 49.7 -48.8 -60.8 -18.9 6.4 62.6 1785 900 B G H > S+ 0 0 0 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.848 109.8 52.4 -48.7 -41.3 -20.4 9.7 61.3 1786 901 B A H >X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.9 0.950 108.3 49.2 -62.1 -50.6 -23.8 8.6 62.6 1787 902 B A H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.867 107.2 56.1 -56.7 -39.3 -22.5 7.8 66.1 1788 903 B L H 3X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.3 0.770 109.9 46.0 -65.6 -26.9 -20.8 11.2 66.2 1789 904 B I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 3,-0.6 0.924 106.2 57.4 -53.7 -46.4 -25.9 10.7 68.1 1791 906 B A H 3X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.936 106.8 45.3 -50.1 -56.1 -23.2 11.8 70.6 1792 907 B V H 3X S+ 0 0 29 -4,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.722 111.5 57.4 -63.5 -21.3 -24.0 15.5 70.1 1793 908 B G H