==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-FEB-11 3QVX . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE (INO1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.NEELON,M.F.ROBERTS,B.STEC . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 1 0 1 1 1 1 0 2 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 2 0 0 1 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 0 0 0 0 0 0 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 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 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 1 A M 0 0 12 0, 0.0 51,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.1 29.1 14.7 11.6 2 2 A K E -ab 52 142A 36 139,-2.2 141,-2.0 49,-0.2 2,-0.4 -0.882 360.0-164.1-112.9 142.1 26.7 14.6 14.6 3 3 A V E -ab 53 143A 0 49,-3.1 51,-1.9 -2,-0.4 2,-0.6 -0.986 6.5-157.9-129.8 121.3 24.3 17.3 15.7 4 4 A W E -ab 54 144A 9 139,-2.7 141,-2.6 -2,-0.4 2,-0.6 -0.908 17.9-158.1 -94.9 119.1 22.7 17.5 19.2 5 5 A L E > -ab 55 145A 0 49,-2.6 51,-1.2 -2,-0.6 3,-0.8 -0.883 10.8-149.0-109.4 118.7 19.6 19.5 18.9 6 6 A V E 3 S+ab 56 146A 1 139,-2.2 141,-2.8 -2,-0.6 51,-0.2 -0.784 97.3 28.1 -82.0 123.1 18.1 21.2 22.0 7 7 A G T > S+ 0 0 6 49,-2.8 3,-1.9 -2,-0.6 6,-0.4 0.813 81.8 173.6 82.6 42.1 14.4 21.2 21.3 8 8 A A T < S+ 0 0 0 48,-1.9 49,-0.1 -3,-0.8 -2,-0.1 0.672 70.0 52.6 -56.3 -30.2 14.8 18.1 19.1 9 9 A Y T 3 S+ 0 0 5 47,-0.2 -1,-0.3 4,-0.1 48,-0.1 0.253 85.6 114.2 -93.3 12.5 11.1 17.6 18.5 10 10 A G S <> S- 0 0 18 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.234 80.2-109.4 -76.1 169.3 10.4 21.1 17.2 11 11 A I H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.889 119.3 46.4 -67.6 -39.8 9.4 22.0 13.7 12 12 A V H > S+ 0 0 29 135,-0.2 4,-1.7 2,-0.2 5,-0.2 0.960 115.9 46.7 -63.3 -50.0 12.7 23.5 12.8 13 13 A S H > S+ 0 0 1 -6,-0.4 4,-1.8 134,-0.3 3,-0.3 0.934 115.0 44.2 -55.1 -53.0 14.6 20.6 14.3 14 14 A T H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.807 112.1 52.6 -69.9 -30.2 12.5 17.9 12.7 15 15 A T H X S+ 0 0 10 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.820 107.3 52.3 -70.7 -30.9 12.5 19.6 9.3 16 16 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 -3,-0.3 -2,-0.2 0.881 113.0 46.2 -71.5 -37.1 16.3 19.8 9.4 17 17 A M H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.903 113.9 45.7 -71.1 -51.4 16.4 16.0 10.1 18 18 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.934 116.2 48.6 -50.1 -52.4 13.9 15.2 7.4 19 19 A G H X S+ 0 0 25 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.893 108.4 51.6 -58.8 -47.6 15.8 17.4 5.0 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.949 114.2 44.8 -50.5 -52.2 19.2 16.0 5.9 21 21 A R H X S+ 0 0 83 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.925 111.2 51.2 -65.4 -46.2 18.0 12.5 5.2 22 22 A A H <>S+ 0 0 2 -4,-2.4 5,-2.4 2,-0.2 6,-0.6 0.863 113.1 46.1 -56.6 -42.8 16.1 13.3 2.0 23 23 A I H ><5S+ 0 0 21 -4,-2.2 3,-1.1 3,-0.2 5,-0.2 0.944 111.8 51.2 -65.9 -47.1 19.2 15.0 0.5 24 24 A E H 3<5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.822 110.7 49.0 -59.3 -35.9 21.5 12.1 1.6 25 25 A R T 3<5S- 0 0 135 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.591 115.5-121.0 -80.7 -11.0 19.1 9.7 -0.1 26 26 A G T < 5S+ 0 0 62 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.683 82.4 112.6 84.4 19.9 19.1 11.9 -3.2 27 27 A I S + 0 0 98 6,-0.1 3,-1.6 -2,-0.1 6,-0.2 0.293 65.0 139.4 -98.1 7.3 20.4 21.2 -2.1 31 31 A I T 3 + 0 0 148 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.247 62.6 29.2 -48.3 134.1 18.4 24.5 -2.4 32 32 A G T 3 S+ 0 0 42 1,-0.2 2,-0.8 306,-0.0 -1,-0.2 0.159 86.2 120.5 100.3 -14.6 18.4 26.6 0.7 33 33 A L X - 0 0 10 -3,-1.6 3,-1.7 1,-0.2 -1,-0.2 -0.728 43.4-169.2 -88.3 104.8 21.8 25.5 1.9 34 34 A V G > S+ 0 0 19 -2,-0.8 3,-1.8 1,-0.3 6,-0.2 0.876 89.2 63.1 -56.7 -36.8 24.2 28.4 2.2 35 35 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 8,-0.2 0.584 97.5 60.3 -66.8 -6.2 27.1 25.9 2.7 36 36 A E G < S+ 0 0 58 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.377 75.6 115.4-105.6 1.3 26.3 24.7 -0.8 37 37 A L S X S- 0 0 67 -3,-1.8 3,-2.5 -4,-0.2 4,-0.2 -0.435 81.7-109.3 -65.1 146.7 26.9 27.9 -2.6 38 38 A P G > S+ 0 0 95 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.828 116.5 62.8 -47.3 -38.9 29.9 27.8 -5.1 39 39 A H G 3 S+ 0 0 69 1,-0.3 -4,-0.1 3,-0.0 -3,-0.0 0.769 101.4 51.8 -62.1 -23.8 32.0 30.0 -2.8 40 40 A F G X S+ 0 0 1 -3,-2.5 3,-2.2 -6,-0.2 -1,-0.3 0.282 75.8 137.1-100.7 14.5 31.9 27.4 -0.1 41 41 A E T < + 0 0 137 -3,-2.0 -5,-0.1 1,-0.3 -4,-0.0 -0.364 64.4 41.8 -59.4 131.1 33.1 24.6 -2.3 42 42 A G T > S+ 0 0 28 -2,-0.1 3,-1.7 5,-0.0 4,-0.3 0.160 79.5 108.9 108.8 -16.4 35.6 22.6 -0.4 43 43 A I G X> + 0 0 3 -3,-2.2 4,-3.2 1,-0.3 3,-2.3 0.865 67.9 68.8 -56.4 -39.6 33.6 22.7 2.8 44 44 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.609 85.0 70.8 -57.6 -15.1 32.9 19.0 2.4 45 45 A K G <4 S+ 0 0 154 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.822 119.4 15.9 -65.2 -34.1 36.6 18.3 3.1 46 46 A Y T <4 S+ 0 0 42 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.1 0.683 143.2 25.7-112.7 -32.6 36.0 19.3 6.7 47 47 A A S < S- 0 0 0 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.1 -0.649 76.3-171.8-138.6 75.1 32.2 19.1 7.0 48 48 A P - 0 0 52 0, 0.0 2,-1.7 0, 0.0 -3,-0.1 -0.244 42.0 -93.2 -64.8 159.5 30.6 16.7 4.4 49 49 A F S S+ 0 0 32 2,-0.0 2,-0.3 -26,-0.0 -5,-0.0 -0.580 85.8 114.3 -79.6 90.1 26.9 16.5 4.0 50 50 A S - 0 0 59 -2,-1.7 2,-0.4 2,-0.1 -29,-0.1 -0.852 42.8-171.4-164.9 120.3 26.3 13.6 6.4 51 51 A F - 0 0 7 -2,-0.3 2,-0.4 -34,-0.1 -49,-0.2 -0.963 19.0-175.4-134.8 130.6 24.3 13.9 9.6 52 52 A E E -a 2 0A 107 -51,-2.2 -49,-3.1 -2,-0.4 2,-0.4 -0.962 25.4-151.6-116.0 144.7 23.5 11.9 12.7 53 53 A F E +a 3 0A 25 -2,-0.4 2,-0.3 -51,-0.2 -49,-0.2 -0.897 28.2 146.7-124.5 141.7 21.1 13.4 15.2 54 54 A G E +a 4 0A 6 -51,-1.9 -49,-2.6 -2,-0.4 2,-0.3 -0.840 20.5 151.8-142.6-171.5 20.3 13.3 18.9 55 55 A G E -a 5 0A 0 39,-0.3 41,-2.8 -51,-0.3 2,-0.3 -0.948 38.1 -82.3 166.6 177.3 18.9 16.0 21.3 56 56 A H E +ac 6 96A 0 -51,-1.2 -49,-2.8 -2,-0.3 -48,-1.9 -0.853 39.7 165.8-108.2 146.9 17.0 17.2 24.4 57 57 A E E - c 0 97A 21 39,-2.1 41,-2.3 -2,-0.3 43,-0.0 -0.961 31.4-162.0-148.1 166.2 13.2 17.8 24.7 58 58 A I S S+ 0 0 20 -2,-0.3 56,-2.1 39,-0.2 2,-0.3 0.505 70.5 88.4-123.4 -21.0 10.6 18.4 27.3 59 59 A R B S-G 113 0B 18 54,-0.2 2,-0.9 1,-0.1 54,-0.2 -0.666 84.8-111.5 -81.7 147.3 7.5 17.5 25.2 60 60 A L + 0 0 73 52,-1.1 2,-0.3 -2,-0.3 52,-0.1 -0.655 56.7 133.1 -90.1 99.7 6.5 13.8 25.3 61 61 A L - 0 0 52 -2,-0.9 34,-0.2 34,-0.1 3,-0.1 -0.977 55.0-124.4-138.4 157.8 6.9 11.8 22.0 62 62 A S S S- 0 0 89 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.795 82.7 -23.2 -67.8 -36.3 8.4 8.4 21.2 63 63 A N S > S- 0 0 19 31,-0.1 4,-1.6 -54,-0.0 3,-0.3 -0.960 72.4 -84.9-167.9 174.0 10.9 9.5 18.6 64 64 A A H > S+ 0 0 0 29,-2.8 4,-2.7 26,-0.7 27,-0.2 0.707 119.2 60.2 -70.9 -20.5 11.7 12.3 16.0 65 65 A Y H > S+ 0 0 15 25,-0.7 4,-2.7 28,-0.3 -1,-0.2 0.932 105.1 46.7 -71.6 -47.8 9.5 10.7 13.3 66 66 A E H > S+ 0 0 74 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.876 116.5 48.1 -57.2 -39.7 6.3 10.9 15.4 67 67 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.900 112.4 45.8 -63.1 -50.4 7.4 14.5 16.2 68 68 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.902 113.9 51.5 -61.6 -39.3 8.1 15.4 12.5 69 69 A K H X S+ 0 0 66 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.894 102.5 57.6 -66.4 -42.3 4.8 13.8 11.5 70 70 A E H X S+ 0 0 62 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.933 113.6 40.3 -50.9 -50.6 2.9 15.8 14.1 71 71 A H H X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 5,-0.4 0.890 112.3 55.9 -66.9 -42.3 4.1 19.0 12.5 72 72 A W H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.877 100.6 59.1 -59.9 -38.4 3.7 17.7 8.9 73 73 A E H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.5 36.0 -57.1 -41.5 0.0 16.8 9.6 74 74 A L H < S+ 0 0 109 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.775 133.3 24.9 -81.4 -31.0 -0.7 20.5 10.3 75 75 A N H < S- 0 0 22 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.753 72.4-156.2-109.1 -34.0 1.7 22.1 7.8 76 76 A R < + 0 0 132 -4,-2.6 -4,-0.1 -5,-0.4 -3,-0.1 0.938 33.5 159.2 54.5 48.8 2.3 19.6 4.9 77 77 A H + 0 0 22 -6,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.400 61.4 27.3 -95.4 1.5 5.6 21.5 4.3 78 78 A F S S- 0 0 33 -6,-0.1 -3,-0.0 0, 0.0 5,-0.0 -0.947 100.1 -84.7-147.9 162.4 7.2 18.6 2.5 79 79 A D >> - 0 0 89 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.271 31.3-118.5 -69.0 152.0 5.6 15.8 0.4 80 80 A R H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.794 114.6 62.5 -55.9 -32.0 4.3 12.6 2.0 81 81 A E H 3> S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.809 103.3 48.5 -68.0 -29.5 6.9 10.7 -0.1 82 82 A I H <> S+ 0 0 29 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.924 110.8 51.0 -70.5 -47.6 9.7 12.5 1.8 83 83 A L H < S+ 0 0 4 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.916 114.2 43.9 -51.3 -49.6 8.0 11.7 5.1 84 84 A E H >< S+ 0 0 119 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.896 111.0 54.2 -65.0 -45.3 7.8 8.0 4.1 85 85 A A H 3< S+ 0 0 24 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.826 115.1 38.8 -59.8 -35.1 11.4 7.9 2.8 86 86 A V T 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.1 -1,-0.2 0.299 88.9 103.0-100.4 6.7 12.9 9.2 6.0 87 87 A K H <> S+ 0 0 86 -3,-1.0 4,-2.9 -4,-0.3 5,-0.2 0.956 81.0 40.7 -60.2 -61.1 10.6 7.3 8.4 88 88 A S H > S+ 0 0 88 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.888 115.9 54.1 -60.6 -36.6 12.8 4.5 9.7 89 89 A D H >4 S+ 0 0 45 -4,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.968 113.4 39.8 -55.3 -58.9 15.7 6.9 9.9 90 90 A L H >< S+ 0 0 3 -4,-2.6 3,-1.9 1,-0.2 -26,-0.7 0.843 104.7 67.2 -66.8 -30.0 13.8 9.4 12.1 91 91 A E H 3< S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 97.3 57.0 -56.9 -24.6 12.2 6.6 14.2 92 92 A G T << S+ 0 0 65 -3,-1.1 2,-0.7 -4,-0.8 -1,-0.3 0.415 85.9 91.1 -88.0 -0.6 15.7 5.8 15.5 93 93 A I < + 0 0 21 -3,-1.9 -29,-2.8 -4,-0.1 2,-0.5 -0.878 54.9 177.2-101.5 113.6 16.2 9.3 16.8 94 94 A V - 0 0 91 -2,-0.7 -39,-0.3 -31,-0.2 -31,-0.1 -0.968 19.8-139.3-123.2 113.9 15.0 9.5 20.5 95 95 A A - 0 0 18 -2,-0.5 2,-0.3 -34,-0.2 -39,-0.2 -0.315 14.6-127.8 -68.0 153.3 15.4 12.7 22.5 96 96 A R E -c 56 0A 119 -41,-2.8 -39,-2.1 1,-0.0 2,-0.2 -0.782 33.9 -92.8-100.5 149.7 16.5 12.8 26.1 97 97 A K E -c 57 0A 68 -2,-0.3 -39,-0.2 -41,-0.2 18,-0.1 -0.420 54.2-176.8 -62.8 126.5 14.5 14.6 28.9 98 98 A G - 0 0 0 -41,-2.3 18,-1.9 16,-0.4 2,-0.4 -0.265 24.4 -86.0-111.3-165.9 15.9 18.1 29.3 99 99 A T - 0 0 4 16,-0.2 86,-0.1 17,-0.2 16,-0.1 -0.896 19.0-175.1-109.9 138.3 15.4 21.2 31.5 100 100 A A > + 0 0 11 -2,-0.4 3,-1.4 -42,-0.1 2,-0.2 -0.196 30.1 164.5-112.4 37.8 12.9 24.1 31.0 101 101 A L T 3 S- 0 0 15 1,-0.3 80,-2.4 2,-0.1 81,-0.2 -0.394 71.5 -13.7 -65.9 124.3 14.4 26.1 34.0 102 102 A N T 3 S+ 0 0 70 78,-0.2 -1,-0.3 -2,-0.2 3,-0.1 0.851 87.7 144.3 53.4 41.9 13.2 29.7 34.0 103 103 A C < - 0 0 12 -3,-1.4 4,-0.2 1,-0.2 3,-0.2 0.218 58.0-113.4 -97.6 13.8 11.9 29.4 30.4 104 104 A G > - 0 0 24 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.180 32.3 -66.9 84.3 167.4 8.9 31.7 31.0 105 105 A S G > S+ 0 0 64 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.678 119.4 75.3 -66.3 -21.9 5.1 31.4 31.2 106 106 A G G > S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.717 77.9 76.3 -62.6 -21.8 5.0 30.7 27.4 107 107 A I G X S+ 0 0 19 -3,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.761 81.1 68.3 -59.9 -31.4 6.2 27.1 28.2 108 108 A K G X S+ 0 0 179 -3,-1.3 3,-1.3 1,-0.3 -1,-0.3 0.751 86.2 69.3 -58.8 -27.3 2.7 26.3 29.5 109 109 A E G < S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.568 83.6 72.4 -71.1 -9.6 1.5 26.6 25.8 110 110 A L G < S- 0 0 13 -3,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.540 91.8-148.0 -83.0 -9.7 3.5 23.4 24.9 111 111 A G < + 0 0 52 -3,-1.3 2,-0.5 -4,-0.1 -1,-0.3 -0.564 64.1 28.1 77.8-134.8 1.0 21.1 26.8 112 112 A D S S+ 0 0 111 -2,-0.3 -52,-1.1 -3,-0.1 2,-0.3 -0.457 75.8 165.3 -72.3 113.9 2.2 18.0 28.4 113 113 A I B -G 59 0B 51 -2,-0.5 2,-0.4 -54,-0.2 -54,-0.2 -0.909 25.3-160.9-126.9 151.8 6.0 18.3 29.5 114 114 A K - 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0 0 35 1,-0.1 2,-0.2 51,-0.1 -1,-0.2 -0.201 64.4 -94.2 -52.4 146.5 11.4 27.6 22.4 150 150 A T - 0 0 5 111,-0.1 -1,-0.1 -3,-0.1 -44,-0.1 -0.447 40.8-143.8 -65.6 130.4 12.4 31.2 23.0 151 151 A E - 0 0 7 -2,-0.2 122,-0.2 1,-0.1 -48,-0.1 -0.528 18.2-105.6 -92.1 160.2 12.9 32.1 26.7 152 152 A P - 0 0 19 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 -0.146 59.4 -67.8 -66.7 173.7 12.1 35.5 28.4 153 153 A L - 0 0 77 116,-0.5 49,-0.1 1,-0.1 3,-0.1 -0.455 65.0-110.4 -60.7 138.2 14.9 37.9 29.3 154 154 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.316 32.3 -91.4 -69.9 158.8 17.0 36.3 32.1 155 155 A N - 0 0 81 22,-0.4 2,-0.1 24,-0.1 25,-0.0 -0.605 54.4-113.2 -65.2 121.8 17.2 37.6 35.7 156 156 A Y + 0 0 184 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 -0.359 46.3 161.7 -63.0 134.6 20.1 40.0 35.7 157 157 A S > - 0 0 14 1,-0.1 4,-1.3 -2,-0.1 5,-0.3 -0.760 24.8-172.8-158.5 108.6 23.2 39.1 37.7 158 158 A E H > S+ 0 0 128 -2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.918 92.0 49.0 -59.6 -44.5 26.6 40.6 37.3 159 159 A E H 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.904 117.0 36.3 -67.8 -45.5 28.1 38.1 39.7 160 160 A Y H 4 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.627 130.6 30.3 -88.5 -14.8 26.7 34.9 38.3 161 161 A H H < S+ 0 0 17 -4,-1.3 48,-2.6 5,-0.1 49,-0.2 0.588 103.5 76.4-113.0 -16.5 26.9 35.8 34.6 162 162 A G S < S+ 0 0 21 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.1 0.654 104.2 12.5 -77.2 -20.7 29.9 38.1 34.6 163 163 A S S > S- 0 0 44 -4,-0.4 4,-2.4 -5,-0.1 46,-0.3 -0.986 71.2-116.4-153.7 154.1 32.7 35.5 34.9 164 164 A L H > S+ 0 0 7 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.922 118.0 55.0 -61.0 -42.3 33.1 31.8 34.5 165 165 A E H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 109.1 47.6 -54.7 -44.5 34.1 31.6 38.2 166 166 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 112.4 49.2 -62.2 -43.1 30.8 33.4 39.1 167 167 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.883 112.0 47.3 -63.8 -44.6 28.7 31.1 36.9 168 168 A E H X S+ 0 0 47 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.874 109.8 53.9 -67.2 -33.5 30.3 28.0 38.4 169 169 A R H X S+ 0 0 79 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.914 104.2 56.4 -63.9 -40.0 29.8 29.4 41.8 170 170 A M H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.886 109.8 44.7 -51.6 -46.3 26.1 29.8 40.8 171 171 A I H ><5S+ 0 0 10 -4,-1.6 3,-1.5 2,-0.2 -47,-0.6 0.922 111.6 51.6 -66.2 -48.5 25.9 26.1 40.0 172 172 A D H 3<5S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.846 113.8 46.3 -54.1 -39.2 27.8 25.1 43.3 173 173 A E T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.430 105.3-129.9 -84.3 -4.1 25.2 27.3 45.2 174 174 A D T < 5 + 0 0 64 -3,-1.5 2,-1.8 -4,-0.2 -3,-0.2 0.862 44.3 167.4 53.1 39.3 22.2 25.9 43.4 175 175 A R > < + 0 0 88 -5,-2.4 3,-1.5 1,-0.2 -1,-0.2 -0.535 5.6 171.1 -85.1 77.4 21.1 29.5 42.7 176 176 A K G > + 0 0 62 -2,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.799 62.8 76.6 -61.2 -30.3 18.4 28.6 40.1 177 177 A E G 3 S+ 0 0 93 1,-0.3 -22,-0.4 -3,-0.2 -1,-0.3 0.788 100.5 41.1 -51.4 -32.6 17.0 32.1 40.0 178 178 A Y G < S+ 0 0 50 -3,-1.5 2,-0.3 -8,-0.1 -1,-0.3 0.289 103.7 81.3-105.5 6.6 20.0 33.3 37.9 179 179 A A < - 0 0 4 -3,-2.0 2,-0.3 -4,-0.2 -24,-0.1 -0.835 54.7-169.9-107.2 148.2 20.1 30.3 35.6 180 180 A S >> - 0 0 3 -2,-0.3 4,-1.7 24,-0.1 3,-0.9 -0.947 37.4-109.1-127.9 159.7 18.0 29.5 32.5 181 181 A A H 3> S+ 0 0 3 -80,-2.4 4,-2.2 -2,-0.3 5,-0.2 0.872 116.5 57.2 -50.6 -41.4 17.8 26.3 30.5 182 182 A S H 3> S+ 0 0 2 1,-0.2 4,-1.6 -81,-0.2 -1,-0.2 0.814 106.0 49.0 -68.4 -31.7 19.6 27.8 27.5 183 183 A M H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.849 110.7 51.5 -70.2 -38.2 22.7 28.7 29.6 184 184 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.886 110.4 46.1 -68.7 -43.5 22.9 25.2 31.1 185 185 A Y H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.909 116.0 47.5 -61.0 -44.4 22.8 23.5 27.7 186 186 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.903 111.6 50.0 -61.1 -49.5 25.4 25.9 26.4 187 187 A Y H X S+ 0 0 16 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.940 111.9 48.4 -51.8 -50.8 27.6 25.4 29.5 188 188 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.952 111.6 49.2 -58.1 -52.0 27.3 21.6 29.1 189 189 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.906 115.9 42.4 -52.8 -47.1 28.2 21.8 25.4 190 190 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.853 109.6 56.1 -73.9 -37.9 31.3 24.0 26.0 191 191 A K H 3<5S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.5 51.9 -57.3 -33.1 32.5 22.1 29.1 192 192 A L T 3<5S- 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.357 119.6-113.7 -87.0 3.4 32.5 19.0 26.8 193 193 A G T < 5 + 0 0 23 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.724 69.5 143.2 72.0 23.6 34.6 20.9 24.2 194 194 A L < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -51,-0.2 -0.815 55.9-111.5-100.8 132.4 31.8 20.9 21.7 195 195 A P - 0 0 0 0, 0.0 -51,-2.7 0, 0.0 2,-0.4 -0.300 39.3-159.0 -55.7 145.2 31.0 23.8 19.3 196 196 A Y E -de 144 221A 0 24,-1.3 26,-2.2 -53,-0.2 2,-0.4 -0.978 16.5-175.1-134.9 138.9 27.7 25.5 20.1 197 197 A A E -de 145 222A 1 -53,-2.2 -51,-2.9 -2,-0.4 2,-0.6 -0.999 14.6-149.1-134.6 144.4 25.2 27.6 18.2 198 198 A N E -de 146 223A 0 24,-2.1 27,-1.4 -2,-0.4 26,-0.5 -0.904 11.1-178.2-111.9 101.7 22.1 29.4 19.5 199 199 A F + 0 0 20 -53,-2.0 27,-2.2 -2,-0.6 -52,-0.1 0.365 67.2 67.8 -76.7 10.2 19.3 29.7 16.8 200 200 A T S S- 0 0 7 25,-0.3 25,-0.9 -54,-0.2 24,-0.4 -0.766 87.5-117.2-126.3 169.1 17.1 31.6 19.3 201 201 A P S S+ 0 0 18 0, 0.0 76,-0.1 0, 0.0 -51,-0.0 0.325 78.0 116.6 -88.9 8.8 17.1 35.0 21.1 202 202 A S S S- 0 0 0 1,-0.1 4,-0.2 -49,-0.1 -2,-0.1 -0.384 84.0-107.4 -61.1 154.8 17.4 33.2 24.5 203 203 A P > + 0 0 15 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.903 61.4 153.4 -54.1 -47.0 20.7 34.1 26.2 204 204 A G T 3 S- 0 0 0 1,-0.3 3,-0.2 2,-0.1 6,-0.1 -0.325 79.4 -16.4 52.8-121.7 22.4 30.7 25.6 205 205 A S T 3 S+ 0 0 0 1,-0.2 2,-0.3 17,-0.1 -1,-0.3 0.376 109.9 103.8 -91.0 1.1 26.2 31.3 25.5 206 206 A A < + 0 0 31 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.1 0.045 57.0 96.6 -76.1 25.0 25.9 35.1 24.9 207 207 A I S >> S- 0 0 16 -2,-0.3 4,-2.2 -3,-0.2 3,-0.5 -0.865 85.7-116.5-112.0 151.5 26.8 35.9 28.6 208 208 A P H 3> S+ 0 0 72 0, 0.0 4,-2.9 0, 0.0 -44,-0.2 0.855 111.8 61.3 -56.4 -38.6 30.4 36.8 29.5 209 209 A A H 3> S+ 0 0 0 -48,-2.6 4,-1.8 -46,-0.3 -45,-0.2 0.915 112.2 36.6 -49.4 -50.2 30.8 33.7 31.7 210 210 A L H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.783 112.1 57.9 -82.7 -29.7 30.2 31.4 28.8 211 211 A K H X S+ 0 0 54 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.934 109.4 47.4 -60.6 -43.8 32.1 33.5 26.3 212 212 A E H X S+ 0 0 93 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.913 110.3 52.6 -62.4 -43.2 35.1 33.2 28.7 213 213 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.908 107.9 50.4 -57.6 -45.9 34.5 29.4 28.9 214 214 A A H X>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.8 0.909 111.7 47.6 -63.3 -44.5 34.5 29.0 25.2 215 215 A E H ><5S+ 0 0 90 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.929 112.8 48.6 -57.7 -51.1 37.8 30.9 24.8 216 216 A K H 3<5S+ 0 0 165 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 114.9 44.7 -57.2 -45.8 39.5 28.9 27.6 217 217 A K H 3<5S- 0 0 102 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.594 110.4-124.1 -76.5 -12.2 38.4 25.6 26.1 218 218 A G T <<5 + 0 0 39 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.842 61.0 147.4 70.3 37.6 39.4 26.7 22.6 219 219 A V < - 0 0 5 -5,-2.9 138,-2.1 -6,-0.2 2,-0.2 -0.869 45.5-129.6-112.8 132.5 35.9 26.1 21.3 220 220 A P E + f 0 357A 2 0, 0.0 -24,-1.3 0, 0.0 2,-0.3 -0.595 29.5 178.4 -81.7 142.5 34.0 28.0 18.6 221 221 A H E -ef 196 358A 0 136,-2.3 138,-3.0 -2,-0.2 2,-0.3 -0.974 6.8-166.1-142.0 159.9 30.5 29.3 19.2 222 222 A A E -e 197 0A 0 -26,-2.2 -24,-2.1 -2,-0.3 2,-0.2 -0.988 19.6 -3.5-147.7 153.1 27.8 31.3 17.3 223 223 A G E -e 198 0A 4 -2,-0.3 147,-3.1 136,-0.2 143,-0.1 -0.915 25.5-124.9 154.6-175.3 24.5 33.2 17.6 224 224 A N S S- 0 0 11 -26,-0.5 144,-2.3 145,-0.4 143,-0.4 0.544 74.9 -22.7-121.1 156.9 22.0 34.5 18.4 225 225 A D S S- 0 0 5 -27,-1.4 142,-3.3 -25,-0.9 143,-0.5 0.871 71.7 -95.7 75.4 110.1 18.6 34.0 16.8 226 226 A G B -H 366 0C 10 -27,-2.2 2,-0.8 140,-0.2 140,-0.3 -0.268 25.6-148.2 -53.8 131.3 18.1 32.8 13.3 227 227 A K + 0 0 6 138,-2.4 -1,-0.1 1,-0.1 139,-0.0 -0.868 46.4 138.1-100.6 92.0 17.6 35.6 10.8 228 228 A T - 0 0 24 -2,-0.8 -1,-0.1 4,-0.0 138,-0.0 0.733 63.1 -7.7-110.8 -28.7 15.2 33.8 8.4 229 229 A G S > S+ 0 0 3 -3,-0.2 4,-2.2 99,-0.0 5,-0.2 0.315 121.8 17.2-138.8-102.9 12.4 36.1 7.2 230 230 A E H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.865 126.7 48.9 -55.1 -43.0 11.2 39.5 8.1 231 231 A T H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 108.7 54.4 -70.5 -34.7 14.5 40.5 9.9 232 232 A L H > S+ 0 0 51 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.931 111.2 44.7 -57.3 -49.4 16.5 39.2 6.8 233 233 A V H >X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.2 3,-0.8 0.955 112.0 53.6 -62.4 -48.6 14.4 41.5 4.6 234 234 A K H 3X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.888 110.9 44.6 -51.6 -47.1 14.9 44.3 7.1 235 235 A T H 3< S+ 0 0 1 -4,-2.5 142,-1.8 1,-0.2 143,-0.4 0.648 117.3 46.8 -77.1 -11.4 18.7 44.0 7.2 236 236 A T H << S+ 0 0 52 -4,-1.1 4,-0.4 -3,-0.8 -2,-0.2 0.845 121.0 35.0 -89.3 -37.7 18.8 43.7 3.3 237 237 A L H >X S+ 0 0 23 -4,-3.0 3,-0.9 -5,-0.2 4,-0.7 0.825 101.8 68.7 -90.2 -40.4 16.5 46.7 2.7 238 238 A A H >X S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.3 4,-1.1 0.879 95.2 59.0 -49.8 -46.2 17.3 49.2 5.4 239 239 A P H 3> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.845 92.4 69.1 -54.6 -34.8 20.8 49.9 3.9 240 240 A M H <> S+ 0 0 87 -3,-0.9 4,-1.0 -4,-0.4 -2,-0.2 0.860 99.9 47.4 -51.1 -42.0 19.1 51.0 0.6 241 241 A F H <<>S+ 0 0 0 -3,-1.1 5,-3.3 -4,-0.7 -1,-0.2 0.866 112.5 49.1 -66.4 -38.8 17.7 54.1 2.4 242 242 A A H ><5S+ 0 0 46 -4,-1.1 3,-2.1 -3,-0.2 -2,-0.2 0.916 107.7 54.0 -66.3 -47.9 21.1 54.9 3.9 243 243 A Y H 3<5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 112.6 45.4 -55.7 -31.8 22.9 54.5 0.6 244 244 A R T 3<5S- 0 0 190 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.183 114.7-117.1 -99.5 15.4 20.5 57.0 -0.9 245 245 A N T < 5 + 0 0 155 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.841 65.2 144.8 52.6 38.3 20.8 59.5 2.0 246 246 A M < - 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