==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-FEB-02 1L2L . COMPND 2 MOLECULE: ADP-DEPENDENT GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.TSUGE,H.SAKURABA,N.KATUNUMA,T.OHSHIMA . 432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.3 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 . 4 0.9 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 3 0 0 0 3 3 1 0 1 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 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 PARALLEL BRIDGES PER LADDER . 1 3 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 0 0 1 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 7 A W > 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -31.3 51.7 28.8 -0.3 2 8 A E H > + 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.867 360.0 50.5 -59.2 -37.7 49.6 27.2 2.3 3 9 A S H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.3 49.1 -66.9 -42.3 52.1 24.4 2.8 4 10 A L H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.864 108.3 55.4 -64.7 -34.8 55.0 26.9 3.2 5 11 A Y H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.887 109.2 46.5 -64.0 -40.9 52.8 28.7 5.7 6 12 A E H X S+ 0 0 89 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.935 113.8 46.8 -67.0 -48.3 52.4 25.6 7.8 7 13 A K H X S+ 0 0 126 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.875 111.4 51.9 -62.8 -38.6 56.1 24.6 7.7 8 14 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.957 110.8 47.1 -62.5 -51.5 57.2 28.2 8.5 9 15 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.915 110.0 53.8 -56.1 -46.8 55.0 28.4 11.6 10 16 A D H X S+ 0 0 74 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.904 111.6 45.0 -57.1 -44.0 56.2 24.9 12.7 11 17 A K H >X S+ 0 0 100 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.962 116.5 43.1 -64.1 -55.2 59.8 26.0 12.6 12 18 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.862 105.4 65.7 -60.6 -37.3 59.4 29.4 14.3 13 19 A E H 3< S+ 0 0 68 -4,-2.9 -1,-0.2 -5,-0.3 4,-0.2 0.917 114.9 29.4 -50.5 -45.8 57.1 27.7 16.8 14 20 A A H << S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.754 127.1 42.8 -88.2 -24.6 60.1 25.7 18.1 15 21 A S H >< S+ 0 0 23 -4,-2.3 3,-2.6 1,-0.1 4,-0.3 0.764 83.6 86.3 -96.8 -26.9 62.9 28.2 17.3 16 22 A I G >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.3 -1,-0.1 0.794 85.6 58.3 -47.6 -38.9 61.8 31.7 18.2 17 23 A R G 3 S+ 0 0 184 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.424 81.7 87.2 -75.9 6.2 62.9 31.4 21.9 18 24 A K G < + 0 0 112 -3,-2.6 -1,-0.3 106,-0.1 2,-0.2 0.812 62.6 103.4 -70.7 -27.2 66.5 30.7 20.7 19 25 A V S < S- 0 0 1 -3,-1.4 3,-0.1 -4,-0.3 414,-0.1 -0.389 70.1-147.1 -59.0 121.6 67.0 34.5 20.6 20 26 A R - 0 0 173 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.657 65.2 -32.5 -67.5 -20.6 69.0 35.2 23.7 21 27 A G - 0 0 0 103,-0.1 195,-3.1 2,-0.0 196,-1.8 -0.696 49.9-136.0 164.7 141.9 67.5 38.6 24.4 22 28 A V E -ab 126 217A 0 103,-2.6 105,-2.2 -2,-0.2 2,-0.5 -0.967 16.4-142.6-118.7 126.3 66.0 41.7 22.6 23 29 A L E -ab 127 218A 0 194,-3.1 196,-3.1 -2,-0.5 2,-0.5 -0.770 18.0-170.7 -87.7 126.0 66.9 45.2 23.6 24 30 A L E -ab 128 219A 2 103,-2.6 105,-1.9 -2,-0.5 2,-0.4 -0.977 14.6-157.2-118.4 119.7 63.9 47.6 23.4 25 31 A A E - b 0 220A 0 194,-1.6 196,-1.3 -2,-0.5 2,-0.9 -0.865 32.8 -19.8-127.6 148.9 64.6 51.2 23.8 26 32 A Y E S+ b 0 221A 0 -2,-0.4 2,-0.7 194,-0.1 196,-0.2 -0.749 90.9 72.5 87.3 -87.1 63.2 54.6 24.7 27 33 A N + 0 0 20 -2,-0.9 84,-1.9 194,-0.6 85,-0.6 -0.512 47.0 141.5 -81.6 114.1 59.4 55.0 24.5 28 34 A T + 0 0 0 -2,-0.7 104,-0.3 83,-0.2 81,-0.3 -0.998 17.5 147.4-139.9 132.9 57.2 53.4 27.2 29 35 A N E -K 108 0B 7 79,-2.4 79,-2.7 -2,-0.3 2,-0.4 -0.901 44.2 -95.2-153.9-178.6 54.1 54.9 28.8 30 36 A I E -Kl 107 164B 0 133,-3.1 135,-3.0 -2,-0.3 2,-0.6 -0.920 26.9-151.9-108.4 132.5 50.7 54.3 30.4 31 37 A D E -Kl 106 165B 25 75,-2.9 75,-2.3 -2,-0.4 2,-0.6 -0.930 8.9-166.5-105.5 120.1 47.5 54.6 28.3 32 38 A A E -Kl 105 166B 1 133,-3.2 135,-2.6 -2,-0.6 2,-0.5 -0.934 10.2-157.2-110.7 111.5 44.5 55.6 30.3 33 39 A I E -K 104 0B 1 71,-3.2 70,-3.1 -2,-0.6 71,-1.6 -0.780 12.0-177.0 -97.6 127.7 41.3 55.1 28.3 34 40 A K - 0 0 24 -2,-0.5 135,-3.0 68,-0.3 2,-0.9 -0.982 19.1-147.4-124.1 127.0 38.0 56.9 29.0 35 41 A Y B -o 169 0C 104 -2,-0.4 135,-0.2 133,-0.2 133,-0.0 -0.838 32.1-130.9 -94.5 105.1 34.8 56.3 27.2 36 42 A L - 0 0 11 133,-1.9 2,-0.4 -2,-0.9 -1,-0.0 -0.119 19.2-160.7 -56.5 149.6 33.1 59.7 27.2 37 43 A K > - 0 0 146 1,-0.1 4,-2.6 133,-0.1 5,-0.2 -0.998 20.0-131.3-133.8 133.8 29.5 60.2 28.2 38 44 A R H > S+ 0 0 88 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.896 102.9 50.0 -52.9 -51.2 27.5 63.3 27.3 39 45 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.949 114.4 44.6 -55.2 -52.9 26.1 64.2 30.7 40 46 A D H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 116.5 46.9 -57.6 -48.0 29.5 64.0 32.4 41 47 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.935 113.3 46.0 -62.5 -48.8 31.2 65.9 29.6 42 48 A E H X S+ 0 0 40 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.900 111.8 53.4 -61.9 -40.4 28.6 68.7 29.3 43 49 A K H X S+ 0 0 97 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.928 110.3 46.0 -60.1 -46.5 28.5 69.1 33.1 44 50 A R H X S+ 0 0 22 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.852 111.9 52.9 -66.3 -33.6 32.3 69.5 33.3 45 51 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 8,-0.2 0.916 108.0 49.3 -67.2 -44.4 32.2 72.0 30.4 46 52 A E H < S+ 0 0 102 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.874 106.6 58.3 -63.2 -37.0 29.5 74.2 32.1 47 53 A K H < S+ 0 0 161 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.3 33.8 -60.1 -41.9 31.6 74.2 35.3 48 54 A V H < S- 0 0 43 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.715 131.8 -75.8 -88.4 -23.1 34.6 75.7 33.5 49 55 A G X - 0 0 13 -4,-2.3 4,-2.3 -5,-0.1 5,-0.2 0.399 26.5-141.0 123.0 101.0 32.8 77.9 31.1 50 56 A K H > S+ 0 0 62 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.857 103.7 52.5 -50.1 -46.4 30.9 76.9 27.9 51 57 A E H > S+ 0 0 141 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 110.4 47.7 -59.4 -48.0 32.1 79.9 26.0 52 58 A E H >> S+ 0 0 57 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.964 112.4 47.7 -58.0 -56.9 35.8 79.3 26.8 53 59 A V H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.7 0.908 107.2 57.7 -51.8 -47.6 35.7 75.6 25.9 54 60 A L H 3X S+ 0 0 36 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.839 97.4 60.9 -54.4 -38.7 33.9 76.3 22.6 55 61 A R H XX S+ 0 0 145 -4,-1.4 4,-1.5 -3,-0.6 3,-0.8 0.894 107.7 44.6 -56.9 -41.7 36.7 78.7 21.4 56 62 A Y H << S+ 0 0 30 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.683 101.9 65.2 -78.0 -18.6 39.2 75.8 21.6 57 63 A S H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.586 109.4 42.5 -77.4 -8.8 36.8 73.4 19.9 58 64 A E H << S+ 0 0 115 -3,-0.8 2,-0.4 -4,-0.5 -2,-0.2 0.767 126.5 27.7-101.4 -39.3 37.2 75.7 16.9 59 65 A E S < S- 0 0 151 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.906 83.7-132.2-131.1 102.5 41.0 76.3 17.1 60 66 A L - 0 0 36 -2,-0.4 -3,-0.1 -3,-0.2 9,-0.0 -0.264 27.2-123.3 -53.1 129.3 43.1 73.5 18.7 61 67 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.154 14.7-119.8 -67.7 170.8 45.5 75.0 21.2 62 68 A K S S- 0 0 181 1,-0.3 25,-0.4 24,-0.1 2,-0.3 0.836 93.4 -9.6 -79.8 -35.3 49.3 74.4 20.8 63 69 A E S S- 0 0 97 23,-0.1 2,-0.7 25,-0.0 -1,-0.3 -0.912 80.2 -98.0-151.4 171.0 49.4 72.7 24.2 64 70 A I B +q 88 0D 0 23,-2.9 25,-1.2 -2,-0.3 26,-0.7 -0.869 47.7 152.0-105.4 106.6 47.0 72.2 27.1 65 71 A E + 0 0 96 -2,-0.7 2,-0.3 24,-0.2 28,-0.2 0.618 64.9 31.8-104.5 -20.4 47.6 74.7 29.9 66 72 A T S > S- 0 0 42 1,-0.1 4,-1.7 26,-0.1 3,-0.2 -0.923 81.0-108.4-137.8 163.6 44.1 74.9 31.4 67 73 A I H > S+ 0 0 26 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.917 117.3 54.1 -57.7 -46.2 41.0 72.8 31.9 68 74 A P H > S+ 0 0 19 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.895 107.2 52.4 -56.6 -37.9 39.0 74.7 29.3 69 75 A Q H > S+ 0 0 32 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.878 109.3 50.0 -64.2 -38.1 41.7 74.0 26.8 70 76 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.2 -1,-0.2 0.980 115.9 39.9 -64.0 -56.8 41.5 70.3 27.6 71 77 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 114.9 53.0 -62.2 -38.8 37.8 70.0 27.2 72 78 A G H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.895 107.9 51.1 -63.9 -38.0 37.8 72.3 24.2 73 79 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.860 107.5 53.2 -66.9 -34.9 40.4 70.1 22.5 74 80 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.3 0.959 111.1 46.3 -63.3 -48.8 38.2 67.1 23.3 75 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.849 104.9 62.0 -60.4 -35.7 35.3 68.8 21.5 76 82 A W H X S+ 0 0 46 -4,-2.2 4,-0.7 1,-0.2 6,-0.2 0.928 108.4 42.4 -55.9 -46.4 37.6 69.8 18.7 77 83 A S H X>S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 5,-1.5 0.873 114.9 51.7 -68.0 -38.9 38.1 66.1 18.0 78 84 A I H ><5S+ 0 0 0 -4,-2.0 3,-0.5 2,-0.2 105,-0.3 0.976 105.8 49.4 -64.3 -58.7 34.4 65.3 18.4 79 85 A K H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 124.4 34.0 -56.6 -20.0 32.8 67.8 16.1 80 86 A R H 3<5S- 0 0 138 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.570 98.8-133.9-109.0 -15.4 35.2 66.7 13.4 81 87 A G T <<5 + 0 0 4 -4,-1.5 2,-0.4 -3,-0.5 -3,-0.2 0.857 63.0 131.0 63.0 34.0 35.5 63.1 14.3 82 88 A K < - 0 0 114 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.953 59.3-113.7-125.8 142.3 39.3 63.3 13.9 83 89 A A + 0 0 47 -2,-0.4 2,-0.3 -3,-0.1 104,-0.2 -0.349 38.1 164.7 -70.9 147.5 42.2 62.3 16.1 84 90 A A E -m 187 0B 19 102,-0.9 104,-2.4 -2,-0.1 2,-0.4 -0.968 17.3-159.5-159.4 150.7 44.4 64.8 17.8 85 91 A E E +m 188 0B 105 -2,-0.3 2,-0.3 102,-0.2 104,-0.2 -0.999 10.7 177.0-140.9 136.3 47.0 64.7 20.6 86 92 A L E -m 189 0B 23 102,-2.2 104,-2.5 -2,-0.4 2,-0.3 -0.978 31.7-109.3-139.1 151.4 48.4 67.5 22.7 87 93 A L E -m 190 0B 58 -25,-0.4 -23,-2.9 -2,-0.3 2,-0.9 -0.597 22.5-139.6 -80.1 136.9 50.8 67.8 25.7 88 94 A V B +q 64 0D 0 102,-2.5 -23,-0.2 -2,-0.3 -1,-0.0 -0.852 27.1 172.2 -99.1 101.3 49.3 68.7 29.1 89 95 A V + 0 0 57 -25,-1.2 2,-0.5 -2,-0.9 -24,-0.2 0.295 48.4 89.9 -93.2 7.3 51.9 71.1 30.5 90 96 A S > - 0 0 13 -26,-0.7 4,-2.0 1,-0.2 5,-0.2 -0.924 60.4-155.2-111.4 125.7 49.9 72.1 33.6 91 97 A R H > S+ 0 0 188 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.931 100.2 55.7 -58.3 -44.8 50.1 70.3 36.9 92 98 A E H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 108.8 45.2 -52.8 -48.3 46.6 71.6 37.7 93 99 A V H > S+ 0 0 0 -28,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 111.0 53.3 -69.3 -31.2 45.2 70.1 34.5 94 100 A R H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.891 108.9 49.8 -70.0 -38.2 47.0 66.8 35.1 95 101 A E H X S+ 0 0 135 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.884 109.8 51.7 -65.7 -37.8 45.4 66.6 38.5 96 102 A Y H X S+ 0 0 38 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.974 112.9 44.4 -60.6 -54.7 42.0 67.4 37.0 97 103 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.864 110.1 55.6 -57.9 -40.4 42.5 64.5 34.5 98 104 A R H < S+ 0 0 170 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.928 112.3 42.6 -59.8 -45.0 43.8 62.2 37.2 99 105 A K H < S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 107.6 59.1 -68.2 -43.2 40.7 62.8 39.2 100 106 A W H < S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.865 97.9-177.4 -53.8 -35.6 38.4 62.5 36.2 101 107 A G < - 0 0 14 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.205 16.3 -93.7 76.2-160.9 40.0 59.1 35.8 102 108 A W - 0 0 76 -3,-0.1 -68,-0.3 -4,-0.1 3,-0.1 -0.966 4.3-136.0-155.8 165.3 39.6 56.3 33.3 103 109 A D S S+ 0 0 94 -70,-3.1 2,-0.3 1,-0.3 -69,-0.2 0.624 88.7 14.7-100.6 -20.0 37.7 53.1 32.5 104 110 A E E -K 33 0B 79 -71,-1.6 -71,-3.2 2,-0.0 2,-0.4 -0.986 61.4-143.8-158.6 145.9 40.7 51.0 31.3 105 111 A L E +K 32 0B 57 -2,-0.3 2,-0.3 -73,-0.2 -73,-0.2 -0.870 20.3 175.9-112.7 144.4 44.5 50.9 31.4 106 112 A R E -K 31 0B 113 -75,-2.3 -75,-2.9 -2,-0.4 2,-0.1 -0.997 36.7 -99.9-148.0 146.7 46.8 49.7 28.7 107 113 A M E -K 30 0B 16 -2,-0.3 2,-0.3 33,-0.3 -77,-0.2 -0.433 44.0-161.8 -65.4 133.7 50.5 49.5 28.1 108 114 A G E +K 29 0B 0 -79,-2.7 -79,-2.4 -2,-0.1 4,-0.4 -0.835 42.7 46.5-120.6 159.8 51.7 52.3 25.8 109 115 A G S > S- 0 0 13 -2,-0.3 4,-2.3 -81,-0.3 5,-0.2 0.287 83.5 -95.9 88.6 142.3 54.8 52.9 23.7 110 116 A Q H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.785 121.5 57.9 -63.4 -27.6 56.4 50.5 21.3 111 117 A V H > S+ 0 0 0 -84,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.960 111.9 39.7 -66.3 -50.2 58.9 49.4 24.0 112 118 A G H > S+ 0 0 0 -85,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.885 116.9 49.4 -66.5 -40.6 56.3 48.3 26.4 113 119 A I H X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.885 114.4 44.0 -68.3 -39.4 54.0 46.8 23.8 114 120 A M H X>S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 5,-0.6 0.789 108.3 58.8 -77.2 -25.5 56.8 44.7 22.2 115 121 A A H X>S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 5,-1.4 0.947 108.0 46.4 -65.7 -45.8 58.1 43.7 25.6 116 122 A N H <5S+ 0 0 21 -4,-1.8 5,-0.3 3,-0.2 -2,-0.2 0.889 119.4 41.4 -62.9 -39.4 54.7 42.1 26.4 117 123 A L H X>S+ 0 0 15 -4,-1.6 5,-2.4 3,-0.2 4,-1.8 0.990 124.2 33.3 -71.4 -62.6 54.6 40.5 22.9 118 124 A L H <5S+ 0 0 0 -4,-2.9 6,-2.8 3,-0.2 -3,-0.2 0.903 136.9 25.6 -61.6 -44.2 58.3 39.3 22.6 119 125 A G T < - 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0 0 3 -3,-1.7 -3,-0.2 -4,-0.2 -171,-0.0 0.984 44.7-154.8 59.0 57.0 63.0 60.6 23.3 199 213 A Y < - 0 0 74 -5,-1.6 2,-0.4 -173,-0.1 -1,-0.1 -0.362 6.0-153.7 -63.5 141.8 64.2 60.8 26.9 200 214 A V - 0 0 10 -3,-0.1 5,-0.1 -70,-0.0 -1,-0.0 -0.986 19.6-115.3-124.7 125.2 67.0 58.4 27.8 201 215 A R >> - 0 0 36 -2,-0.4 4,-1.1 1,-0.1 3,-0.8 -0.221 27.7-119.3 -54.2 143.3 67.5 57.1 31.4 202 216 A E H >> S+ 0 0 103 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.874 112.7 56.8 -54.0 -42.6 70.9 58.2 32.8 203 217 A E H 3> S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.845 106.1 50.9 -60.2 -33.9 72.1 54.7 33.3 204 218 A W H <4 S+ 0 0 0 -3,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.734 111.1 48.2 -76.6 -23.0 71.6 54.0 29.5 205 219 A I H << S+ 0 0 57 -4,-1.1 3,-0.3 -3,-0.6 -2,-0.2 0.890 121.2 35.2 -80.7 -42.2 73.5 57.2 28.6 206 220 A E H < S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.881 132.5 22.6 -80.6 -40.5 76.4 56.3 30.9 207 221 A R S X S+ 0 0 159 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 -0.218 70.9 135.7-125.3 48.2 76.6 52.5 30.7 208 222 A F H > S+ 0 0 5 -4,-0.3 4,-3.5 -3,-0.3 5,-0.2 0.880 70.9 58.7 -61.4 -40.4 74.9 51.5 27.4 209 223 A E H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 105.9 48.1 -56.6 -47.6 77.6 49.0 26.4 210 224 A E H 4 S+ 0 0 120 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.3 43.9 -60.9 -39.0 77.1 46.9 29.6 211 225 A I H >< S+ 0 0 16 -4,-1.5 3,-1.9 1,-0.2 -2,-0.2 0.941 111.1 54.0 -71.6 -46.7 73.4 46.9 29.1 212 226 A A H >< S+ 0 0 0 -4,-3.5 3,-2.2 1,-0.3 -2,-0.2 0.840 94.9 69.6 -55.4 -38.1 73.6 46.1 25.4 213 227 A K T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.615 87.2 66.7 -59.1 -12.7 75.8 43.1 26.0 214 228 A R T < S+ 0 0 142 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.342 97.5 70.3 -90.0 7.2 72.8 41.3 27.5 215 229 A S < - 0 0 7 -3,-2.2 -193,-0.2 1,-0.1 3,-0.1 -0.854 53.6-165.7-126.6 161.6 71.1 41.2 24.1 216 230 A E S S+ 0 0 26 -195,-3.1 35,-0.8 1,-0.3 2,-0.3 0.655 84.7 20.1-109.0 -33.3 71.4 39.5 20.8 217 231 A L E -bd 22 251A 1 -196,-1.8 -194,-3.1 33,-0.2 2,-0.4 -0.912 67.4-151.3-134.7 161.5 69.1 41.9 18.8 218 232 A A E -bd 23 252A 0 33,-2.6 35,-2.7 -2,-0.3 2,-0.5 -0.995 5.1-164.0-139.4 143.8 67.7 45.4 19.3 219 233 A I E -bd 24 253A 10 -196,-3.1 -194,-1.6 -2,-0.4 2,-0.4 -0.987 13.1-161.1-127.7 119.2 64.6 47.2 18.3 220 234 A I E +bd 25 254A 3 33,-2.7 35,-0.6 -2,-0.5 2,-0.3 -0.835 19.6 157.3-102.9 138.8 64.6 51.0 18.5 221 235 A S E +b 26 0A 13 -196,-1.3 -194,-0.6 -2,-0.4 35,-0.1 -0.921 37.9 69.6-148.9 170.4 61.3 53.0 18.5 222 236 A G + 0 0 3 -2,-0.3 4,-0.2 -196,-0.2 -24,-0.1 0.473 63.4 111.1 95.6 4.8 60.1 56.4 19.6 223 237 A L > + 0 0 4 1,-0.2 3,-1.5 2,-0.1 45,-0.1 0.767 54.9 81.0 -82.2 -25.4 61.8 58.6 17.1 224 238 A H T 3 S+ 0 0 75 1,-0.2 37,-0.4 35,-0.1 -1,-0.2 0.729 86.6 54.3 -56.6 -28.5 58.8 59.7 15.1 225 239 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.638 79.2 118.0 -82.9 -11.9 57.6 62.5 17.4 226 240 A L < - 0 0 1 -3,-1.5 35,-0.3 -4,-0.2 2,-0.2 -0.245 50.3-154.5 -57.0 137.8 60.9 64.4 17.5 227 241 A T > - 0 0 51 37,-0.1 4,-1.7 36,-0.1 3,-0.3 -0.558 33.3-100.2-107.2 174.4 60.8 67.9 16.0 228 242 A Q T 4 S+ 0 0 112 1,-0.2 4,-0.3 -2,-0.2 -1,-0.1 0.788 123.1 54.9 -64.8 -24.9 63.5 70.1 14.5 229 243 A E T 4 S+ 0 0 190 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.829 119.9 24.7 -78.3 -33.7 63.8 71.8 17.9 230 244 A N T 4 S+ 0 0 46 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.431 95.9 88.3-114.6 2.6 64.4 68.8 20.1 231 245 A H X + 0 0 35 -4,-1.7 4,-2.2 1,-0.1 5,-0.3 0.702 69.4 84.0 -73.0 -21.8 66.0 66.1 17.8 232 246 A G H > S+ 0 0 42 -4,-0.3 4,-1.7 1,-0.2 5,-0.2 0.941 96.1 29.5 -45.6 -74.4 69.5 67.3 18.3 233 247 A K H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 120.3 51.6 -59.8 -48.8 70.6 65.6 21.5 234 248 A P H > S+ 0 0 10 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.920 109.1 49.2 -57.5 -46.7 68.5 62.4 21.3 235 249 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.894 109.7 53.0 -60.3 -39.1 69.6 61.6 17.7 236 250 A K H X S+ 0 0 118 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.910 111.1 47.1 -61.7 -41.2 73.2 62.0 18.8 237 251 A L H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.944 111.9 49.1 -65.7 -47.7 72.5 59.6 21.7 238 252 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.876 109.5 52.8 -59.4 -39.2 70.8 57.0 19.4 239 253 A R H X S+ 0 0 88 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.899 108.4 50.9 -63.5 -39.6 73.7 57.2 16.9 240 254 A E H X S+ 0 0 78 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.888 111.7 47.2 -64.5 -40.1 76.1 56.5 19.8 241 255 A H H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.908 109.5 53.3 -68.6 -41.1 74.0 53.5 20.9 242 256 A L H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.929 107.3 51.1 -59.2 -47.0 73.8 52.1 17.3 243 257 A K H X S+ 0 0 108 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.923 111.8 47.6 -56.9 -45.8 77.5 52.3 16.8 244 258 A I H X S+ 0 0 43 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.935 111.7 50.2 -61.4 -46.1 78.0 50.4 20.1 245 259 A L H ><>S+ 0 0 1 -4,-3.0 5,-2.4 1,-0.2 3,-0.6 0.926 111.6 48.8 -57.9 -45.5 75.4 47.8 19.0 246 260 A N H ><5S+ 0 0 114 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.876 107.5 53.9 -63.5 -38.4 77.1 47.4 15.7 247 261 A D H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.752 109.1 50.8 -67.7 -22.2 80.5 47.0 17.3 248 262 A L T <<5S- 0 0 57 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.492 116.4-112.6 -92.0 -6.6 79.1 44.2 19.4 249 263 A G T < 5 + 0 0 53 -3,-1.0 2,-0.7 -4,-0.5 -3,-0.2 0.641 69.4 145.1 83.2 13.8 77.5 42.3 16.4 250 264 A I < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.788 45.3-137.5 -91.0 115.3 74.1 43.2 17.7 251 265 A R E -d 217 0A 78 -35,-0.8 -33,-2.6 -2,-0.7 2,-0.4 -0.553 16.8-154.2 -75.7 129.9 71.6 43.8 14.8 252 266 A A E -d 218 0A 4 -2,-0.3 25,-2.6 -35,-0.2 24,-1.6 -0.885 7.8-164.0-109.5 137.9 69.3 46.8 15.4 253 267 A H E -de 219 277A 0 -35,-2.7 -33,-2.7 -2,-0.4 2,-0.4 -0.893 5.3-169.6-121.9 148.7 65.8 47.1 13.8 254 268 A L E -de 220 278A 4 23,-1.4 25,-2.7 -2,-0.3 2,-0.8 -0.995 19.1-146.4-139.5 129.4 63.5 50.1 13.3 255 269 A E E - e 0 279A 13 -35,-0.6 2,-2.5 -2,-0.4 25,-0.2 -0.874 30.8-133.6 -91.0 112.6 59.9 50.2 12.1 256 270 A F - 0 0 3 23,-3.0 25,-0.2 -2,-0.8 3,-0.1 -0.376 29.3-169.0 -72.7 71.6 59.9 53.6 10.3 257 271 A A - 0 0 27 -2,-2.5 163,-0.0 1,-0.2 23,-0.0 -0.282 40.6 -75.6 -61.8 144.0 56.7 55.0 11.7 258 272 A F - 0 0 109 1,-0.1 -1,-0.2 2,-0.0 26,-0.1 -0.107 46.7-159.4 -43.7 125.9 55.4 58.2 10.1 259 273 A T - 0 0 2 1,-0.2 6,-0.2 -3,-0.1 -1,-0.1 -0.911 4.8-165.2-116.0 101.1 57.5 61.1 11.2 260 274 A P S S+ 0 0 77 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.918 70.1 80.4 -51.5 -52.4 55.6 64.4 10.6 261 275 A D S > S- 0 0 27 -37,-0.4 4,-2.3 -35,-0.3 5,-0.1 -0.455 70.9-155.5 -64.2 114.2 58.6 66.7 11.0 262 276 A E H > S+ 0 0 130 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.776 89.0 54.2 -62.7 -31.6 60.3 66.6 7.5 263 277 A V H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 111.8 44.2 -70.7 -42.4 63.8 67.6 8.8 264 278 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 109.5 58.1 -66.3 -41.4 63.8 64.8 11.4 265 279 A R H X S+ 0 0 16 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.913 107.6 45.5 -54.8 -47.6 62.4 62.3 8.8 266 280 A L H X S+ 0 0 57 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.906 111.9 53.1 -64.5 -39.5 65.3 62.9 6.5 267 281 A E H X S+ 0 0 43 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.871 108.6 48.7 -64.1 -37.4 67.8 62.6 9.4 268 282 A I H X S+ 0 0 4 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.833 105.9 59.2 -72.9 -29.4 66.3 59.3 10.5 269 283 A V H >< S+ 0 0 0 -4,-1.7 3,-0.9 -5,-0.3 -2,-0.2 0.943 110.0 41.5 -60.8 -47.4 66.6 58.1 6.9 270 284 A K H >< S+ 0 0 104 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.795 104.6 66.2 -70.6 -27.2 70.3 58.8 7.0 271 285 A L H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.3 -1,-0.2 0.758 83.8 78.1 -64.3 -23.1 70.5 57.3 10.5 272 286 A L G X< S+ 0 0 1 -4,-0.9 3,-2.0 -3,-0.9 -1,-0.3 0.714 72.8 76.1 -59.3 -22.2 69.5 54.0 8.7 273 287 A K G < S+ 0 0 107 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.732 99.8 46.2 -62.6 -17.7 73.1 53.6 7.6 274 288 A H G < S+ 0 0 68 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.3 0.332 99.7 83.8-105.3 3.8 73.7 52.6 11.2 275 289 A F < - 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0 0 5 26,-0.3 -2,-0.2 -2,-0.2 -5,-0.1 -0.215 49.4 -97.9 -49.5 122.3 50.7 49.2 -3.5 308 322 A D > - 0 0 37 -8,-0.4 4,-2.8 -4,-0.2 5,-0.2 -0.218 34.6-152.6 -46.1 108.8 52.3 49.1 -7.0 309 323 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.876 92.5 49.2 -56.1 -44.4 55.0 46.4 -6.5 310 324 A I H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 113.5 47.8 -63.0 -43.9 57.4 47.8 -9.1 311 325 A A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 111.3 50.4 -61.2 -47.9 57.0 51.3 -7.6 312 326 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.922 111.0 48.6 -56.1 -48.1 57.6 49.9 -4.1 313 327 A I H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.910 110.1 50.7 -62.1 -42.1 60.8 48.1 -5.1 314 328 A E H X S+ 0 0 85 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.918 111.7 49.1 -62.3 -40.1 62.2 51.1 -6.9 315 329 A G H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.899 111.3 49.4 -64.5 -39.1 61.5 53.1 -3.8 316 330 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 108.5 52.9 -66.7 -39.5 63.2 50.4 -1.7 317 331 A L H X S+ 0 0 38 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.826 107.0 52.1 -66.0 -31.5 66.2 50.4 -4.1 318 332 A K H X S+ 0 0 45 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.908 109.0 51.8 -70.0 -39.0 66.6 54.2 -3.7 319 333 A L H X S+ 0 0 5 -4,-1.7 4,-1.5 1,-0.2 5,-0.4 0.921 110.7 45.6 -62.7 -46.8 66.6 53.6 0.1 320 334 A I H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.888 108.4 58.8 -65.4 -36.4 69.3 51.0 0.0 321 335 A K H < S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.9 38.0 -61.2 -35.0 71.3 53.2 -2.4 322 336 A E H < S+ 0 0 62 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.685 133.4 21.2 -91.4 -18.6 71.4 56.1 0.1 323 337 A T H < S- 0 0 11 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.654 79.8-138.5-122.2 -26.6 71.8 54.0 3.4 324 338 A G < + 0 0 38 -4,-2.8 -4,-0.2 -5,-0.4 -3,-0.1 0.631 36.5 175.9 73.0 10.3 73.2 50.6 2.6 325 339 A V - 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0 0 86 1,-0.3 2,-2.6 2,-0.2 -61,-0.0 0.580 360.0 -99.3 35.5 15.6 50.0 47.6 13.9 420 442 A G T >5S+ 0 0 11 1,-0.2 4,-2.6 -140,-0.1 -1,-0.3 -0.127 124.2 71.7 71.7 -45.3 53.0 47.3 11.5 421 443 A D H >5S+ 0 0 30 -2,-2.6 4,-2.1 2,-0.2 5,-0.3 0.889 93.2 50.3 -67.3 -43.2 55.1 46.8 14.7 422 444 A T H X5S+ 0 0 3 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.888 114.5 48.3 -63.0 -37.2 53.8 43.4 15.4 423 445 A I H >X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 3,-0.7 0.886 105.6 59.0 -67.9 -36.9 62.0 35.1 14.1 431 453 A E H >X S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.923 110.8 40.3 -57.6 -45.6 64.3 35.4 11.2 432 454 A F H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.535 102.0 69.3 -83.0 -5.2 67.4 35.5 13.4 433 455 A S H << S+ 0 0 3 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.709 102.8 48.2 -79.8 -21.2 66.1 32.8 15.8 434 456 A L H << 0 0 9 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.735 360.0 360.0 -87.2 -26.6 66.6 30.4 12.9 435 457 A H < 0 0 115 -4,-0.6 -1,-0.2 -89,-0.1 -3,-0.1 -0.303 360.0 360.0 -62.7 360.0 70.1 31.7 12.2