==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JUL-04 1U1I . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.A.STIEGLITZ,H.YANG,M.F.ROBERTS,B.STEC . 1568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1158 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 7.0 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 . 4 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 . 111 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 226 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 472 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 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 7 6 4 1 4 4 3 7 3 4 5 6 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 6 1 6 0 0 4 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 0 0 0 0 0 2 0 7 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 19 0, 0.0 51,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 174.5 10.4 -38.9 -17.1 2 2 A K E -a 52 0A 43 139,-1.0 141,-0.5 49,-0.2 2,-0.4 -0.844 360.0-172.5-102.0 139.3 13.7 -38.3 -15.3 3 3 A V E -a 53 0A 1 49,-3.1 51,-1.4 -2,-0.4 2,-0.4 -0.970 10.0-159.8-136.4 127.6 14.8 -34.9 -14.0 4 4 A W E -ab 54 144A 8 139,-2.5 141,-2.4 -2,-0.4 2,-0.5 -0.847 11.6-164.7 -98.2 133.9 18.2 -33.8 -12.5 5 5 A L E > -ab 55 145A 0 49,-3.1 51,-1.0 -2,-0.4 3,-0.6 -0.953 16.1-141.3-122.4 115.6 18.2 -30.7 -10.3 6 6 A V E 3 S+ab 56 146A 6 139,-2.7 141,-0.9 -2,-0.5 51,-0.1 -0.498 100.0 23.4 -59.0 144.9 21.4 -28.8 -9.4 7 7 A G T > S+ 0 0 9 49,-1.6 3,-1.5 1,-0.1 6,-0.3 0.967 79.4 176.4 59.1 49.3 20.8 -27.8 -5.8 8 8 A A T < S+ 0 0 2 48,-1.5 49,-0.1 -3,-0.6 -1,-0.1 0.724 72.4 57.7 -59.9 -19.3 18.2 -30.6 -5.3 9 9 A Y T 3 S+ 0 0 2 47,-0.3 -1,-0.2 4,-0.1 -2,-0.1 0.581 81.7 108.6 -94.7 -3.6 17.8 -29.6 -1.7 10 10 A G S <> S- 0 0 19 -3,-1.5 4,-1.1 1,-0.1 61,-0.1 0.152 81.8-106.0 -57.7-174.6 16.7 -26.0 -2.2 11 11 A I H > S+ 0 0 13 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.890 116.8 49.0 -87.0 -43.8 13.2 -24.9 -1.5 12 12 A V H > S+ 0 0 23 135,-0.2 4,-1.2 2,-0.2 5,-0.2 0.963 109.8 54.6 -53.9 -52.7 12.1 -24.5 -5.1 13 13 A S H >> S+ 0 0 1 134,-0.3 4,-2.1 -6,-0.3 3,-0.9 0.926 112.9 39.0 -48.9 -58.2 13.4 -27.9 -6.0 14 14 A T H 3X S+ 0 0 3 -4,-1.1 4,-3.6 1,-0.3 5,-0.3 0.749 109.4 60.5 -71.6 -23.2 11.5 -29.8 -3.3 15 15 A T H 3X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -1,-0.3 0.731 110.5 44.1 -73.7 -16.6 8.4 -27.7 -3.8 16 16 A A H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 3,-0.6 0.949 113.0 33.5 -44.7 -67.4 4.9 -33.6 -8.3 21 21 A R H 3X S+ 0 0 40 -4,-1.9 4,-2.9 1,-0.3 5,-0.4 0.904 114.2 61.0 -61.9 -40.4 4.1 -36.7 -6.3 22 22 A A H 3X>S+ 0 0 0 -4,-2.9 5,-1.5 -5,-0.3 4,-1.0 0.864 117.6 31.6 -50.7 -37.9 1.3 -34.8 -4.6 23 23 A I H <<5S+ 0 0 4 -4,-2.5 -2,-0.3 -3,-0.6 -1,-0.2 0.702 113.3 59.4 -95.0 -25.1 -0.2 -34.4 -8.1 24 24 A E H <5S+ 0 0 67 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.956 111.7 44.4 -65.1 -41.5 1.0 -37.7 -9.6 25 25 A R H <5S- 0 0 161 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.873 116.7-112.4 -69.9 -44.3 -0.9 -39.5 -6.8 26 26 A G T <5S+ 0 0 61 -4,-1.0 -3,-0.2 -5,-0.4 -4,-0.1 0.554 83.9 115.3 123.2 9.1 -4.0 -37.4 -7.1 27 27 A I S + 0 0 83 -2,-0.1 3,-1.8 -7,-0.1 6,-0.2 0.159 58.5 144.4 -92.3 10.7 -2.5 -29.1 -11.3 31 31 A I T 3 + 0 0 33 1,-0.3 608,-0.2 679,-0.2 681,-0.1 -0.164 62.0 33.1 -49.5 141.3 -3.2 -25.4 -10.9 32 32 A G T 3 S+ 0 0 4 606,-2.6 2,-0.5 1,-0.3 -1,-0.3 0.355 88.2 123.2 88.7 -6.5 -0.3 -23.2 -11.7 33 33 A L X - 0 0 0 -3,-1.8 3,-0.5 605,-0.3 -1,-0.3 -0.805 45.7-164.3 -96.9 128.7 1.1 -25.6 -14.3 34 34 A V G > S+ 0 0 0 -2,-0.5 3,-1.4 1,-0.2 6,-0.2 0.767 88.0 60.1 -80.0 -31.6 1.5 -24.0 -17.7 35 35 A S G 3 S+ 0 0 3 1,-0.3 -1,-0.2 4,-0.1 8,-0.2 0.512 99.8 61.8 -72.2 -8.5 1.8 -27.3 -19.7 36 36 A E G < S+ 0 0 69 -3,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 0.271 75.8 112.4-102.4 6.8 -1.7 -28.0 -18.3 37 37 A L S X S- 0 0 24 -3,-1.4 3,-2.5 1,-0.1 -3,-0.0 -0.715 83.3-113.4 -77.4 134.3 -3.2 -24.9 -20.1 38 38 A P G > S+ 0 0 108 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.740 109.8 69.0 -35.7 -52.4 -5.5 -26.1 -22.9 39 39 A H G 3 S+ 0 0 69 1,-0.3 -4,-0.1 3,-0.0 -3,-0.0 0.756 99.1 49.6 -38.6 -39.3 -3.3 -24.8 -25.7 40 40 A F G X S+ 0 0 1 -3,-2.5 3,-1.2 -6,-0.2 2,-0.7 0.100 76.6 144.8-100.1 25.1 -0.7 -27.4 -25.0 41 41 A E T < + 0 0 159 -3,-2.5 -5,-0.1 1,-0.3 -6,-0.0 -0.532 64.0 40.5 -69.5 106.3 -3.1 -30.3 -24.9 42 42 A G T 3 S+ 0 0 9 -2,-0.7 3,-0.3 5,-0.0 -1,-0.3 0.333 78.6 109.5 127.6 11.0 -1.3 -33.3 -26.4 43 43 A I X> + 0 0 2 -3,-1.2 4,-2.8 -8,-0.2 3,-2.0 0.806 64.8 71.3 -82.0 -28.4 2.0 -32.6 -24.7 44 44 A E T 34 S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.3 -3,-0.1 0.714 85.7 65.1 -61.9 -22.2 1.6 -35.7 -22.5 45 45 A K T 34 S+ 0 0 123 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.657 119.7 25.9 -73.5 -13.7 2.2 -38.0 -25.5 46 46 A Y T <4 S+ 0 0 56 -3,-2.0 -2,-0.3 -4,-0.1 -1,-0.2 0.563 146.4 10.4-116.5 -30.2 5.7 -36.5 -25.4 47 47 A A S < S- 0 0 2 -4,-2.8 -2,-0.2 301,-0.1 -3,-0.2 -0.341 76.1-177.2-155.1 64.9 6.0 -35.5 -21.8 48 48 A P - 0 0 62 0, 0.0 2,-1.3 0, 0.0 -3,-0.0 -0.169 46.1 -85.3 -68.3 163.3 3.2 -36.8 -19.6 49 49 A F S S+ 0 0 33 -26,-0.1 2,-0.3 2,-0.0 -5,-0.0 -0.535 85.3 113.3 -73.3 95.8 3.1 -35.8 -15.9 50 50 A S - 0 0 58 -2,-1.3 2,-0.4 -3,-0.1 -29,-0.0 -0.846 43.7-163.6-164.3 127.7 5.4 -38.4 -14.3 51 51 A F - 0 0 3 -2,-0.3 2,-0.4 -34,-0.1 -49,-0.2 -0.947 21.1-173.7-135.0 139.2 8.7 -37.7 -12.6 52 52 A E E -a 2 0A 89 -51,-2.1 -49,-3.1 -2,-0.4 2,-0.3 -0.970 29.5-145.5-119.0 137.8 11.9 -39.3 -11.4 53 53 A F E +a 3 0A 18 -2,-0.4 2,-0.2 -51,-0.2 41,-0.2 -0.851 29.8 141.3-122.9 152.8 14.3 -37.1 -9.4 54 54 A G E +a 4 0A 6 -51,-1.4 -49,-3.1 -2,-0.3 2,-0.3 -0.933 13.6 147.4-164.6 167.0 18.0 -36.6 -8.8 55 55 A G E -a 5 0A 1 39,-0.3 41,-1.9 -51,-0.3 2,-0.3 -0.980 38.5 -85.7 176.0-176.6 20.5 -33.7 -8.4 56 56 A H E +ac 6 96A 1 -51,-1.0 -49,-1.6 -2,-0.3 -48,-1.5 -0.887 35.6 180.0-117.0 144.7 23.7 -32.3 -6.8 57 57 A E E - c 0 97A 16 39,-1.7 41,-3.6 -2,-0.3 3,-0.2 -1.000 30.6-171.7-148.9 146.9 24.1 -30.6 -3.4 58 58 A I S S+ 0 0 28 -2,-0.3 2,-0.4 39,-0.2 52,-0.1 0.387 85.9 73.0-114.3 1.0 26.8 -28.9 -1.3 59 59 A R S S- 0 0 30 50,-0.0 -1,-0.2 2,-0.0 38,-0.0 -0.584 88.2-144.9-111.2 63.5 24.5 -28.7 1.7 60 60 A L + 0 0 116 -2,-0.4 2,-0.3 -3,-0.2 -2,-0.0 0.032 27.6 170.2 -38.1 110.1 24.5 -32.4 2.6 61 61 A L - 0 0 45 1,-0.1 34,-0.3 34,-0.0 3,-0.1 -0.914 44.0-118.9-117.1 152.7 21.1 -33.6 3.9 62 62 A S S S- 0 0 102 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.871 88.5 -19.8 -60.6 -33.5 20.3 -37.2 4.4 63 63 A N > - 0 0 17 31,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.997 67.6 -92.6-168.0 169.6 17.5 -36.9 1.9 64 64 A A H > S+ 0 0 0 29,-2.0 4,-1.1 26,-0.7 27,-0.2 0.776 118.4 55.2 -57.5 -35.9 15.1 -34.7 0.0 65 65 A Y H > S+ 0 0 34 25,-0.8 4,-1.6 28,-0.3 -1,-0.2 0.893 103.0 56.0 -66.6 -40.5 12.3 -35.0 2.6 66 66 A E H > S+ 0 0 66 -3,-0.4 4,-1.2 1,-0.3 -1,-0.2 0.813 112.1 43.3 -58.2 -35.8 14.6 -33.7 5.3 67 67 A A H X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 -1,-0.3 0.690 108.5 59.8 -81.9 -21.6 15.2 -30.7 3.2 68 68 A A H X S+ 0 0 2 -4,-1.1 4,-0.9 -5,-0.2 -2,-0.2 0.794 105.0 49.9 -75.9 -27.2 11.5 -30.5 2.5 69 69 A K H X S+ 0 0 71 -4,-1.6 4,-4.7 2,-0.2 5,-0.3 0.913 105.2 52.2 -78.5 -49.3 10.7 -30.1 6.2 70 70 A E H X S+ 0 0 59 -4,-1.2 4,-0.8 1,-0.2 5,-0.2 0.917 114.2 44.6 -57.8 -41.2 13.1 -27.3 7.1 71 71 A H H X S+ 0 0 1 -4,-1.2 4,-1.1 1,-0.2 6,-0.3 0.858 120.7 42.5 -68.6 -31.4 11.8 -25.2 4.2 72 72 A W H X S+ 0 0 27 -4,-0.9 4,-4.0 3,-0.2 -2,-0.2 0.935 106.6 58.2 -77.4 -47.0 8.3 -26.2 5.3 73 73 A E H < S+ 0 0 99 -4,-4.7 -1,-0.2 1,-0.3 -2,-0.2 0.622 117.3 36.3 -61.7 -16.5 8.7 -25.9 9.1 74 74 A L H < S+ 0 0 100 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.707 132.3 25.7-102.2 -30.0 9.6 -22.2 8.5 75 75 A N H < S- 0 0 21 -4,-1.1 -3,-0.2 -5,-0.2 -2,-0.2 0.730 70.6-157.5-111.3 -32.8 7.3 -21.4 5.6 76 76 A R < + 0 0 95 -4,-4.0 -4,-0.1 -5,-0.2 -3,-0.1 0.851 30.3 165.6 50.4 37.8 4.3 -23.7 5.8 77 77 A H + 0 0 2 -6,-0.3 2,-0.3 -5,-0.1 634,-0.2 0.492 57.9 20.5 -68.1 -9.0 4.0 -22.9 2.1 78 78 A F S S- 0 0 11 -6,-0.1 634,-0.1 634,-0.1 5,-0.0 -0.966 101.6 -64.2-152.3 170.3 1.6 -25.8 1.5 79 79 A D > - 0 0 77 632,-0.7 4,-1.2 -2,-0.3 5,-0.1 -0.176 36.3-132.6 -55.3 147.5 -0.8 -28.1 3.4 80 80 A R H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.734 105.2 64.6 -70.0 -27.0 0.8 -30.4 5.9 81 81 A E H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.955 98.0 52.3 -60.6 -52.6 -1.3 -33.2 4.4 82 82 A I H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 112.8 45.2 -50.8 -49.2 0.5 -33.0 1.1 83 83 A L H X S+ 0 0 9 -4,-1.2 4,-2.3 1,-0.2 3,-0.4 0.950 110.8 51.8 -61.7 -50.1 3.9 -33.3 2.8 84 84 A E H < S+ 0 0 143 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.875 111.8 49.5 -54.9 -37.7 2.7 -36.1 5.1 85 85 A A H < S+ 0 0 38 -4,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.856 118.1 37.2 -65.8 -38.7 1.6 -37.9 1.9 86 86 A V H >X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.4 3,-2.0 0.662 87.2 95.4 -90.7 -21.9 4.9 -37.4 0.0 87 87 A K H 3X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.3 -22,-0.2 0.788 84.6 53.2 -41.6 -50.5 7.4 -37.8 2.9 88 88 A S H 34 S+ 0 0 73 -4,-0.4 -1,-0.3 -3,-0.2 4,-0.3 0.748 113.1 42.9 -56.9 -36.4 7.9 -41.5 2.0 89 89 A D H X> S+ 0 0 34 -3,-2.0 3,-2.3 2,-0.2 4,-0.5 0.960 115.0 46.7 -78.6 -54.6 8.7 -40.7 -1.6 90 90 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.3 -25,-0.8 0.802 105.4 63.2 -56.0 -28.1 10.9 -37.7 -1.0 91 91 A E T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.721 97.8 56.7 -70.3 -18.2 12.7 -39.8 1.7 92 92 A G T <4 S+ 0 0 59 -3,-2.3 2,-0.5 -4,-0.3 -1,-0.2 0.597 89.9 90.2 -87.4 -11.2 13.8 -42.2 -1.1 93 93 A I << - 0 0 14 -3,-1.0 -29,-2.0 -4,-0.5 2,-0.5 -0.752 58.8-170.8 -91.3 125.1 15.5 -39.4 -3.0 94 94 A V - 0 0 89 -2,-0.5 -39,-0.3 -41,-0.2 2,-0.2 -0.970 15.4-136.2-125.8 127.5 19.1 -38.8 -2.2 95 95 A A - 0 0 13 -2,-0.5 2,-0.4 -34,-0.3 -39,-0.2 -0.454 17.6-133.7 -73.0 143.4 21.3 -35.9 -3.4 96 96 A R E -c 56 0A 110 -41,-1.9 -39,-1.7 -2,-0.2 -88,-0.1 -0.871 37.5 -88.8-104.1 134.1 24.8 -36.5 -4.6 97 97 A K E -c 57 0A 23 -2,-0.4 -39,-0.2 -41,-0.2 2,-0.1 -0.107 55.7-160.4 -46.7 121.7 27.7 -34.3 -3.4 98 98 A G - 0 0 3 -41,-3.6 19,-0.4 1,-0.1 2,-0.2 -0.226 13.6 -96.3-100.1-175.4 28.0 -31.3 -5.7 99 99 A T - 0 0 7 17,-0.1 -1,-0.1 18,-0.1 -41,-0.1 -0.624 18.2-174.5 -99.7 161.6 30.4 -28.6 -6.7 100 100 A A > + 0 0 25 -2,-0.2 3,-0.6 81,-0.1 2,-0.4 -0.206 22.3 164.1-146.8 40.4 30.7 -25.0 -5.5 101 101 A L T 3 S- 0 0 1 1,-0.2 80,-2.1 2,-0.1 81,-0.1 -0.510 72.2 -12.2 -71.9 120.2 33.4 -23.6 -7.8 102 102 A N T 3 S+ 0 0 78 -2,-0.4 79,-0.3 78,-0.2 -1,-0.2 0.977 75.8 160.4 55.2 70.2 33.5 -19.8 -7.7 103 103 A C <> - 0 0 13 -3,-0.6 4,-0.6 1,-0.4 3,-0.2 -0.259 42.5-129.8-114.9 41.6 30.2 -19.2 -5.9 104 104 A G T 4 - 0 0 27 1,-0.2 2,-0.8 2,-0.1 3,-0.5 0.195 52.1 -41.3 40.2-159.0 31.1 -15.6 -4.8 105 105 A S T 4 S+ 0 0 63 1,-0.2 165,-0.3 -3,-0.1 164,-0.3 -0.849 117.0 67.1-105.6 103.3 30.6 -14.6 -1.2 106 106 A G T 4 + 0 0 13 -2,-0.8 2,-2.2 -3,-0.2 -1,-0.2 0.123 63.9 99.8-177.3 -26.8 27.4 -16.0 0.2 107 107 A I < + 0 0 50 -4,-0.6 2,-0.5 -3,-0.5 4,-0.3 -0.205 50.0 144.6 -76.3 47.0 28.1 -19.8 0.2 108 108 A K + 0 0 145 -2,-2.2 -3,-0.0 1,-0.1 156,-0.0 -0.804 36.7 66.6 -93.3 122.1 28.9 -19.7 4.0 109 109 A E S S+ 0 0 107 -2,-0.5 3,-0.3 4,-0.0 -1,-0.1 -0.279 84.9 57.6 170.9 -74.6 27.8 -22.8 5.9 110 110 A L + 0 0 45 1,-0.2 2,-2.8 -3,-0.2 -2,-0.1 0.840 68.7 170.0 -49.4 -38.0 29.5 -26.0 5.0 111 111 A G S S+ 0 0 67 -4,-0.3 2,-0.4 1,-0.2 -1,-0.2 -0.316 74.1 27.8 58.8 -71.5 32.7 -24.2 5.9 112 112 A D S S+ 0 0 163 -2,-2.8 2,-0.5 -3,-0.3 -1,-0.2 -0.663 83.9 155.8-117.5 73.3 34.8 -27.4 5.8 113 113 A I - 0 0 53 -2,-0.4 2,-0.4 2,-0.0 5,-0.1 -0.870 15.5-177.9-102.8 128.0 33.0 -29.6 3.3 114 114 A K + 0 0 120 -2,-0.5 3,-0.1 1,-0.1 -17,-0.0 -0.972 44.5 82.2-134.6 123.9 35.0 -32.3 1.5 115 115 A T S S+ 0 0 51 -2,-0.4 -1,-0.1 -17,-0.1 -16,-0.1 0.158 97.9 18.6 176.7 -24.7 33.8 -34.7 -1.2 116 116 A L S > >S- 0 0 4 -18,-0.1 3,-1.2 -3,-0.1 5,-0.9 0.237 132.0 -4.1-123.3-111.0 33.9 -32.8 -4.5 117 117 A E T 3>5S+ 0 0 58 -19,-0.4 4,-0.8 1,-0.3 3,-0.2 0.955 137.7 48.6 -52.5 -54.9 35.8 -29.6 -5.3 118 118 A G T 345S+ 0 0 43 1,-0.3 2,-0.8 2,-0.2 -1,-0.3 0.608 92.5 82.9 -60.9 -14.0 37.0 -29.3 -1.7 119 119 A E T <45S- 0 0 79 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.239 118.8 -96.7 -90.3 47.9 38.0 -33.0 -1.8 120 120 A G T 45S+ 0 0 76 -2,-0.8 -2,-0.2 -3,-0.2 2,-0.1 0.655 76.2 154.4 50.4 22.6 41.4 -32.1 -3.4 121 121 A L << - 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0 0 1 -5,-2.0 138,-3.7 -25,-0.1 2,-0.7 -0.970 49.0-133.8-127.8 141.9 20.4 -30.6 -27.6 220 220 A P E -f 357 0B 0 0, 0.0 -24,-0.4 0, 0.0 138,-0.2 -0.835 24.8-175.6 -98.5 110.8 18.0 -27.8 -26.9 221 221 A H E -f 358 0B 0 136,-1.0 138,-2.2 -2,-0.7 2,-0.3 -0.513 13.0-140.1 -97.8 169.5 18.8 -25.6 -23.8 222 222 A A E -e 197 0A 0 -26,-2.0 -24,-1.3 136,-0.2 -17,-0.2 -0.972 23.3 -46.8-146.8 156.6 16.7 -22.8 -22.4 223 223 A G E -e 198 0A 4 136,-0.4 147,-0.6 -2,-0.3 -24,-0.1 -0.132 47.2-120.6 54.7-117.7 16.3 -19.4 -20.8 224 224 A N S S+ 0 0 15 -26,-0.8 144,-1.7 145,-0.1 143,-0.5 0.099 72.6 11.5 136.0 115.0 18.2 -18.0 -17.8 225 225 A D S S- 0 0 2 -25,-1.3 142,-2.5 -27,-0.8 143,-0.5 0.873 81.6-106.3 70.0 106.5 16.8 -16.8 -14.5 226 226 A G B -G 366 0C 5 -27,-3.2 2,-0.7 140,-0.3 140,-0.3 -0.308 18.5-144.1 -63.7 142.3 13.1 -17.6 -13.7 227 227 A K + 0 0 1 138,-2.4 -1,-0.1 1,-0.2 139,-0.1 -0.739 46.4 138.7-112.2 78.5 10.5 -14.8 -13.9 228 228 A T + 0 0 22 -2,-0.7 -1,-0.2 4,-0.0 138,-0.0 0.809 62.1 3.4-102.8 -35.6 8.3 -15.7 -11.0 229 229 A G S > S+ 0 0 8 3,-0.0 4,-1.0 99,-0.0 -2,-0.1 0.683 120.4 8.4-117.5 -83.1 7.1 -12.6 -9.0 230 230 A E H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.782 122.9 52.4 -87.5 -27.9 7.8 -8.9 -9.5 231 231 A T H > S+ 0 0 4 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.801 103.3 64.2 -76.8 -23.0 9.5 -8.8 -12.9 232 232 A L H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.936 108.1 39.1 -54.0 -52.0 6.5 -10.9 -14.0 233 233 A V H >X S+ 0 0 1 -4,-1.0 4,-3.4 2,-0.2 3,-1.1 0.866 113.4 56.2 -68.0 -40.7 4.3 -7.9 -13.2 234 234 A K H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 -2,-0.2 0.977 108.9 45.0 -57.4 -53.0 6.8 -5.5 -14.5 235 235 A T H 3< S+ 0 0 0 -4,-3.2 142,-2.2 1,-0.2 143,-0.4 0.434 119.5 45.6 -73.7 4.3 6.9 -7.1 -18.0 236 236 A T H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 140,-0.2 -1,-0.2 0.774 119.3 34.2-108.0 -42.7 3.1 -7.2 -17.9 237 237 A L H >X S+ 0 0 4 -4,-3.4 3,-1.5 2,-0.1 4,-0.5 0.798 102.9 69.7 -84.9 -40.2 2.2 -3.7 -16.7 238 238 A A H >X S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.4 4,-1.1 0.920 94.4 55.7 -52.4 -51.4 4.9 -1.5 -18.3 239 239 A P H 3> S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.772 90.8 75.5 -53.3 -23.0 3.7 -1.9 -21.9 240 240 A M H <4 S+ 0 0 0 -3,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.862 100.5 43.3 -55.7 -33.3 0.3 -0.7 -20.7 241 241 A F H X<>S+ 0 0 0 -3,-2.3 5,-2.0 -4,-0.5 3,-0.5 0.852 111.7 53.1 -75.7 -42.6 2.0 2.7 -20.7 242 242 A A H ><5S+ 0 0 24 -4,-1.1 3,-0.8 1,-0.3 -2,-0.2 0.842 108.4 49.6 -65.1 -34.6 3.7 2.1 -24.0 243 243 A Y T 3<5S+ 0 0 26 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.673 113.7 47.0 -79.2 -13.6 0.4 1.3 -25.7 244 244 A R T < 5S- 0 0 10 -3,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.244 110.0-124.6-112.7 12.0 -1.1 4.4 -24.2 245 245 A N T < 5 + 0 0 41 -3,-0.8 180,-1.6 1,-0.2 181,-0.5 0.651 62.3 139.4 51.1 30.4 1.9 6.5 -25.3 246 246 A M < - 0 0 15 -5,-2.0 2,-0.5 178,-0.2 70,-0.2 -0.504 49.9-119.5 -88.2 163.9 2.6 7.9 -21.8 247 247 A E E -H 315 0D 76 68,-2.5 68,-2.8 -2,-0.2 2,-0.6 -0.935 8.8-137.4-116.7 134.0 6.2 8.2 -20.5 248 248 A V E -H 314 0D 1 -2,-0.5 66,-0.2 66,-0.2 43,-0.1 -0.720 19.4-179.9 -79.1 112.2 7.7 6.5 -17.5 249 249 A V E - 0 0 33 64,-2.6 42,-2.0 -2,-0.6 2,-0.3 0.920 67.9 -8.7 -82.0 -42.1 9.8 9.0 -15.5 250 250 A G E -Hi 313 291D 0 63,-1.1 63,-2.1 40,-0.2 2,-0.5 -0.993 53.8-155.3-155.4 147.0 11.0 6.6 -12.8 251 251 A W E -Hi 312 292D 0 40,-2.4 42,-2.6 -2,-0.3 2,-0.4 -0.971 10.7-158.7-125.1 120.4 10.3 3.0 -11.6 252 252 A M E -Hi 311 293D 0 59,-3.7 59,-1.3 -2,-0.5 2,-0.4 -0.798 10.3-178.0 -93.8 140.1 11.0 1.9 -8.0 253 253 A S E +Hi 310 294D 0 40,-2.3 42,-2.3 -2,-0.4 2,-0.4 -0.975 6.2 168.5-138.3 127.0 11.5 -1.7 -7.2 254 254 A Y E +Hi 309 295D 1 55,-0.9 55,-3.1 -2,-0.4 2,-0.3 -0.996 5.3 179.3-140.7 128.1 12.1 -3.0 -3.7 255 255 A N E -Hi 308 296D 0 40,-1.3 42,-2.2 -2,-0.4 2,-0.4 -0.959 4.4-171.5-131.0 143.4 12.0 -6.6 -2.5 256 256 A I E +Hi 307 297D 0 51,-2.8 51,-2.6 -2,-0.3 2,-0.3 -0.998 18.8 138.8-137.0 136.3 12.6 -8.2 0.9 257 257 A L E - i 0 298D 6 40,-1.1 42,-2.9 -2,-0.4 47,-0.2 -0.918 29.9-149.1-156.2-175.1 12.9 -11.8 2.0 258 258 A G + 0 0 5 45,-2.1 46,-0.2 -2,-0.3 2,-0.2 0.109 51.9 91.4-161.5 45.2 15.0 -13.9 4.3 259 259 A D S > S- 0 0 14 44,-0.9 4,-3.4 43,-0.0 3,-0.2 -0.388 99.0 -60.2-115.1-156.9 15.8 -17.5 3.6 260 260 A Y H > S+ 0 0 59 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.904 141.0 56.2 -50.9 -46.0 18.8 -19.1 1.8 261 261 A D H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.931 113.0 39.8 -43.8 -54.8 17.6 -17.1 -1.2 262 262 A G H 4 S+ 0 0 1 -3,-0.2 -2,-0.2 41,-0.2 -1,-0.2 0.911 110.8 62.3 -62.6 -45.0 17.9 -14.0 1.1 263 263 A K H >< S+ 0 0 98 -4,-3.4 3,-0.8 1,-0.2 -2,-0.2 0.889 112.5 29.8 -47.5 -60.2 21.1 -15.3 2.6 264 264 A V H >< S+ 0 0 15 -4,-2.4 3,-1.2 1,-0.3 7,-0.5 0.816 116.1 59.7 -80.3 -30.5 23.3 -15.4 -0.4 265 265 A L T 3< S+ 0 0 13 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 -0.015 85.3 84.7 -86.0 30.2 21.5 -12.6 -2.2 266 266 A S T < S+ 0 0 75 -3,-0.8 -1,-0.2 31,-0.1 2,-0.2 0.508 84.5 63.6-100.5 -14.4 22.5 -10.4 0.8 267 267 A A S <> S- 0 0 29 -3,-1.2 4,-1.4 -162,-0.1 5,-0.1 -0.703 87.7-115.5-112.4 165.3 25.9 -9.7 -0.6 268 268 A R H > S+ 0 0 206 -2,-0.2 4,-0.7 2,-0.2 5,-0.1 0.737 103.3 65.0 -69.8 -34.1 27.1 -7.8 -3.8 269 269 A D H >> S+ 0 0 62 -164,-0.3 -116,-0.9 2,-0.1 4,-0.5 0.979 116.8 18.1 -46.9 -79.8 28.7 -10.8 -5.5 270 270 A N H >> S+ 0 0 0 -6,-0.4 3,-1.4 -165,-0.3 4,-0.8 0.899 120.8 58.3 -65.2 -56.0 25.7 -13.0 -6.1 271 271 A K H 3X S+ 0 0 35 -4,-1.4 4,-1.7 -7,-0.5 -1,-0.2 0.586 93.4 70.3 -60.0 -13.7 22.8 -10.5 -5.8 272 272 A E H X S+ 0 0 43 -4,-0.8 4,-2.0 1,-0.2 3,-0.6 0.926 108.6 52.0 -58.2 -56.1 19.7 -11.1 -10.0 275 275 A V H 3X S+ 0 0 17 -4,-1.7 4,-3.6 1,-0.2 5,-0.3 0.905 103.9 56.9 -46.7 -55.5 19.1 -7.4 -9.9 276 276 A L H 3X S+ 0 0 48 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.819 108.1 46.0 -54.8 -39.5 20.3 -6.7 -13.4 277 277 A S H < S+ 0 0 4 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.965 121.3 34.6 -46.0 -66.3 15.1 -7.7 -13.0 279 279 A D H >< S+ 0 0 20 -4,-3.6 3,-1.6 1,-0.2 4,-0.4 0.914 109.2 62.0 -64.6 -49.8 15.9 -4.1 -13.6 280 280 A K H >X S+ 0 0 90 -4,-2.2 3,-1.3 -5,-0.3 4,-0.8 0.751 84.0 81.4 -50.0 -34.6 17.2 -4.3 -17.2 281 281 A V H S+ 0 0 2 -3,-1.6 4,-1.6 -4,-0.3 3,-0.8 0.855 94.8 59.4 -59.6 -43.0 12.4 -2.0 -18.5 283 283 A E H <> S+ 0 0 61 -3,-1.3 4,-1.2 -4,-0.4 5,-0.2 0.909 107.6 45.4 -54.2 -45.5 14.8 -0.8 -21.2 284 284 A K H 3< S+ 0 0 104 -4,-0.8 -1,-0.2 -3,-0.4 91,-0.2 0.560 108.4 55.5 -80.7 -13.5 13.7 -3.3 -23.8 285 285 A M H << S+ 0 0 30 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.873 119.4 24.2 -88.5 -42.6 9.9 -3.0 -23.3 286 286 A L H < S- 0 0 26 -4,-1.6 -2,-0.2 2,-0.3 -3,-0.1 0.688 98.4-122.9 -99.3 -15.4 9.4 0.7 -23.9 287 287 A G S < S+ 0 0 71 -4,-1.2 2,-0.3 -5,-0.4 -3,-0.1 0.589 83.8 79.8 84.1 9.7 12.4 1.5 -26.0 288 288 A Y S S- 0 0 71 -6,-0.4 -2,-0.3 -5,-0.2 -1,-0.3 -0.936 76.3-123.9-141.0 164.4 13.7 4.2 -23.6 289 289 A S - 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0 0 3 -5,-1.9 138,-1.2 -25,-0.1 -1,-0.2 -0.961 51.4-133.6-122.7 133.2 -21.1 5.5 -41.2 613 620 B P E + t 0 750E 0 0, 0.0 -24,-0.8 0, 0.0 2,-0.3 -0.506 29.3 169.6 -82.1 155.8 -18.7 3.9 -38.7 614 621 B H E +st 589 751E 0 136,-1.5 138,-1.3 -26,-0.2 2,-0.3 -0.945 3.0 168.9-157.1 165.2 -19.1 4.4 -35.0 615 622 B A E +s 590 0E 1 -26,-1.3 -24,-1.6 -2,-0.3 2,-0.5 -0.982 21.1 58.6-175.9 161.7 -17.6 2.9 -31.8 616 623 B G E -s 591 0E 3 -2,-0.3 147,-0.8 -26,-0.2 -24,-0.2 -0.934 25.9-163.6 131.8-127.1 -17.1 2.7 -28.1 617 624 B N S S+ 0 0 19 -26,-3.2 144,-1.2 -2,-0.5 143,-0.2 0.913 81.2 2.0 82.8 88.7 -19.1 2.5 -25.0 618 625 B D S S- 0 0 2 -25,-1.0 142,-3.2 -27,-0.5 143,-0.9 0.978 78.9-125.0 76.0 86.3 -17.1 3.4 -21.9 619 626 B G B -U 759 0F 3 -27,-1.1 2,-1.0 140,-0.3 140,-0.3 -0.463 25.0-128.3 -60.9 122.6 -13.6 4.6 -22.6 620 627 B K + 0 0 0 138,-1.9 -1,-0.1 -2,-0.2 139,-0.0 -0.626 54.4 133.8 -78.3 97.0 -11.2 2.4 -20.6 621 628 B T > + 0 0 23 -2,-1.0 4,-0.5 4,-0.0 5,-0.2 0.648 51.6 20.0-110.9 -96.3 -8.9 4.7 -18.7 622 629 B G H >> S- 0 0 4 2,-0.1 3,-1.2 3,-0.1 4,-1.0 0.824 122.9 -6.0 -49.4-121.3 -7.9 4.6 -15.0 623 630 B E H >> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-1.3 0.899 128.6 58.0 -43.6 -62.9 -8.3 1.5 -12.9 624 631 B T H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.741 99.1 60.1 -53.0 -25.4 -10.1 -0.7 -15.4 625 632 B L H << S+ 0 0 3 -3,-1.2 4,-0.3 -4,-0.5 -1,-0.3 0.975 107.2 47.0 -62.1 -46.9 -7.2 -0.3 -17.9 626 633 B V H XX S+ 0 0 0 -3,-1.3 4,-1.5 -4,-1.0 3,-0.6 0.820 109.6 56.5 -56.0 -38.0 -5.0 -1.9 -15.2 627 634 B K H >X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.8 0.982 108.7 41.7 -64.7 -56.4 -7.6 -4.6 -14.7 628 635 B T H 3< S+ 0 0 0 -4,-2.2 142,-2.8 1,-0.2 143,-0.3 0.464 118.5 51.3 -73.4 4.5 -7.7 -5.8 -18.3 629 636 B T H <4 S+ 0 0 2 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.591 118.7 30.3-110.1 -22.0 -3.9 -5.5 -18.4 630 637 B L H XX S+ 0 0 4 -4,-1.5 3,-1.9 -3,-0.8 4,-0.5 0.788 104.1 70.9-109.7 -34.6 -3.0 -7.4 -15.3 631 638 B A H >X S+ 0 0 0 -4,-2.3 3,-0.9 -5,-0.3 4,-0.7 0.891 92.7 59.8 -47.3 -49.2 -5.8 -10.0 -15.0 632 639 B P H >> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.770 90.6 78.2 -52.3 -23.6 -4.4 -12.0 -18.0 633 640 B M H <> S+ 0 0 1 -3,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.889 95.0 39.9 -59.4 -49.1 -1.2 -12.4 -16.0 634 641 B F H <<>S+ 0 0 0 -3,-0.9 5,-3.0 -4,-0.5 -1,-0.3 0.641 110.9 64.5 -78.5 -4.6 -2.3 -15.2 -13.7 635 642 B A H X<5S+ 0 0 30 -4,-0.7 3,-2.9 -3,-0.6 -2,-0.2 0.987 100.7 46.4 -72.4 -61.9 -4.1 -16.7 -16.7 636 643 B Y H 3<5S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.790 113.4 49.8 -43.6 -39.6 -1.0 -17.4 -18.7 637 644 B R T 3<5S- 0 0 12 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.167 114.9-119.9 -89.8 18.3 0.7 -18.9 -15.6 638 645 B N T < 5 + 0 0 26 -3,-2.9 -606,-2.6 1,-0.2 -605,-0.3 0.760 61.5 152.4 48.0 33.3 -2.4 -21.0 -15.1 639 646 B M < - 0 0 13 -5,-3.0 2,-0.5 -607,-0.2 70,-0.2 -0.545 44.9-115.8 -89.0 157.7 -3.0 -19.5 -11.7 640 647 B E E -L 708 0D 49 68,-2.5 68,-2.3 -2,-0.2 2,-0.8 -0.793 13.6-141.9-102.3 133.7 -6.5 -19.2 -10.2 641 648 B V E +L 707 0D 2 -2,-0.5 66,-0.2 66,-0.2 3,-0.1 -0.716 23.8 172.3 -86.9 114.8 -8.2 -15.9 -9.6 642 649 B V E - 0 0 28 64,-1.8 42,-2.8 -2,-0.8 2,-0.3 0.955 61.8 -12.6 -86.4 -52.1 -10.2 -16.2 -6.3 643 650 B G E -Lm 706 684D 1 63,-1.3 63,-2.6 40,-0.2 2,-0.4 -1.000 51.3-158.0-152.0 147.8 -11.4 -12.6 -5.8 644 651 B W E -Lm 705 685D 0 40,-1.7 42,-1.9 -2,-0.3 2,-0.5 -0.978 8.8-155.6-126.1 139.4 -10.7 -9.1 -7.0 645 652 B M E -Lm 704 686D 0 59,-2.7 59,-1.4 -2,-0.4 2,-0.6 -0.969 7.7-174.0-118.5 126.6 -11.5 -5.9 -5.1 646 653 B S E +Lm 703 687D 0 40,-2.9 42,-2.7 -2,-0.5 2,-0.7 -0.887 8.6 172.4-117.0 97.5 -12.1 -2.6 -7.0 647 654 B Y E +Lm 702 688D 1 55,-2.2 55,-2.6 -2,-0.6 2,-0.4 -0.869 4.6 177.4-118.6 111.9 -12.5 0.5 -4.8 648 655 B N E -Lm 701 689D 0 40,-2.3 42,-3.4 -2,-0.7 2,-0.4 -0.878 6.9-172.0-110.2 133.7 -12.6 3.9 -6.5 649 656 B I E +Lm 700 690D 0 51,-2.3 51,-2.2 -2,-0.4 2,-0.2 -0.988 19.9 138.7-125.2 136.7 -13.1 7.3 -4.9 650 657 B L E - 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