==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 21-SEP-11 3VI7 . COMPND 2 MOLECULE: HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.KADO,T.INOUE . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.1 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 0.5 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 . 42 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 4 0 0 0 11 1 1 5 4 2 0 4 0 1 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 90 0, 0.0 2,-0.4 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 145.9 5.3 -23.2 84.7 2 3 A N - 0 0 137 2,-0.0 54,-2.1 26,-0.0 2,-0.4 -0.858 360.0-153.2 -91.0 135.7 8.8 -21.8 85.6 3 4 A Y E -A 55 0A 34 -2,-0.4 26,-2.3 52,-0.2 2,-0.4 -0.955 19.4-179.0-121.0 131.2 8.9 -18.2 84.4 4 5 A K E -Ab 54 29A 62 50,-2.2 50,-3.4 -2,-0.4 2,-0.5 -0.955 9.1-164.6-130.6 111.9 11.9 -16.1 83.4 5 6 A L E -Ab 53 30A 0 24,-2.8 26,-2.5 -2,-0.4 2,-0.5 -0.863 7.9-162.6 -92.6 124.1 11.4 -12.5 82.4 6 7 A T E +Ab 52 31A 4 46,-2.6 46,-1.2 -2,-0.5 2,-0.3 -0.952 30.4 122.4-110.3 124.0 14.3 -10.9 80.6 7 8 A Y E - b 0 32A 20 24,-2.3 26,-2.8 -2,-0.5 2,-0.1 -0.892 59.9 -73.7-155.1-175.2 14.6 -7.1 80.2 8 9 A F E - b 0 33A 40 -2,-0.3 2,-2.6 24,-0.2 26,-0.1 -0.368 60.1 -89.8 -75.3 167.0 16.9 -4.1 81.0 9 10 A N S S+ 0 0 71 24,-0.8 2,-0.3 23,-0.1 189,-0.2 -0.478 99.1 87.9 -75.6 69.2 17.3 -2.9 84.6 10 11 A M S S- 0 0 66 -2,-2.6 4,-0.1 1,-0.2 185,-0.0 -0.957 84.4-115.4-152.5 172.4 14.4 -0.4 84.1 11 12 A R S >> S+ 0 0 20 187,-2.5 4,-1.4 -2,-0.3 3,-1.4 0.985 73.6 120.4 -72.5 -66.2 10.6 -0.3 84.4 12 13 A G G >4 S- 0 0 29 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.046 88.8 -21.3 42.9-142.4 10.0 0.2 80.7 13 14 A R G 34 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.453 135.1 61.8 -80.3 -5.3 8.0 -2.3 78.7 14 15 A A G X> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.1 3,-0.7 0.690 82.2 81.1 -90.3 -23.5 8.6 -5.1 81.2 15 16 A E H S+ 0 0 1 -4,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.934 109.6 47.0 -65.6 -37.8 3.3 -4.2 83.1 17 18 A I H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.3 -1,-0.2 0.933 109.7 51.6 -66.7 -46.6 4.4 -7.8 83.3 18 19 A R H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.848 108.5 53.0 -60.5 -33.5 6.0 -7.4 86.7 19 20 A Y H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.889 107.6 49.5 -68.6 -43.0 2.9 -5.8 88.1 20 21 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.945 111.3 49.6 -61.8 -47.6 0.7 -8.7 86.9 21 22 A F H <>S+ 0 0 2 -4,-2.7 5,-2.3 2,-0.2 4,-0.4 0.903 113.7 46.7 -52.4 -43.9 3.1 -11.2 88.5 22 23 A A H ><5S+ 0 0 20 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.960 112.9 49.0 -64.7 -47.7 3.0 -9.2 91.8 23 24 A Y H 3<5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.921 115.5 42.5 -59.3 -47.0 -0.8 -8.9 91.7 24 25 A L T 3<5S- 0 0 42 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.412 107.7-125.2 -81.4 1.7 -1.3 -12.6 91.1 25 26 A D T < 5 + 0 0 135 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.936 55.5 155.7 51.3 49.5 1.4 -13.6 93.7 26 27 A I < - 0 0 54 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.943 40.1-129.4-107.6 128.2 3.2 -15.7 91.1 27 28 A Q + 0 0 157 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.2 -0.425 38.0 157.1 -76.1 148.2 7.0 -16.3 91.5 28 29 A Y - 0 0 47 -26,-0.1 2,-0.6 -2,-0.1 -24,-0.2 -0.961 47.1-101.9-161.6 160.9 9.3 -15.6 88.5 29 30 A E E -b 4 0A 99 -26,-2.3 -24,-2.8 -2,-0.3 2,-1.4 -0.876 27.8-155.8 -90.1 112.4 13.0 -14.8 87.8 30 31 A D E -b 5 0A 43 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.1 -0.735 17.4-167.6 -88.7 85.1 13.2 -11.1 87.1 31 32 A H E -b 6 0A 56 -26,-2.5 -24,-2.3 -2,-1.4 2,-0.6 -0.686 5.0-169.3 -83.3 117.7 16.4 -11.3 85.0 32 33 A R E -b 7 0A 46 -2,-0.6 -24,-0.2 -26,-0.2 2,-0.2 -0.924 8.4-155.4-111.2 113.6 17.8 -7.8 84.4 33 34 A I E -b 8 0A 2 -26,-2.8 -24,-0.8 -2,-0.6 2,-0.2 -0.549 10.7-125.5 -90.7 152.9 20.6 -7.6 81.8 34 35 A E > - 0 0 125 -2,-0.2 3,-1.5 -26,-0.1 4,-0.5 -0.580 28.2-110.8 -85.0 158.5 23.5 -5.0 81.6 35 36 A Q G > S+ 0 0 128 1,-0.3 3,-2.7 -2,-0.2 -1,-0.1 0.939 118.8 60.6 -53.1 -43.1 24.1 -3.0 78.4 36 37 A A G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.723 100.9 54.4 -68.1 -15.0 27.3 -4.9 77.9 37 38 A D G X> S+ 0 0 69 -3,-1.5 4,-2.4 1,-0.2 3,-0.8 0.584 83.0 96.8 -80.5 -12.0 25.3 -8.3 77.8 38 39 A W H <> S+ 0 0 48 -3,-2.7 4,-3.2 -4,-0.5 5,-0.3 0.847 74.3 54.0 -64.7 -42.1 23.1 -7.0 75.0 39 40 A P H 3> S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.870 115.6 41.4 -59.6 -37.2 24.8 -8.4 71.9 40 41 A E H <4 S+ 0 0 135 -3,-0.8 4,-0.4 -4,-0.2 -2,-0.2 0.869 117.0 47.3 -69.7 -45.3 24.7 -12.0 73.4 41 42 A I H >< S+ 0 0 37 -4,-2.4 3,-1.8 1,-0.2 4,-0.2 0.970 110.8 52.4 -61.1 -46.7 21.2 -11.7 74.8 42 43 A K H >< S+ 0 0 102 -4,-3.2 3,-1.5 1,-0.3 6,-0.3 0.789 96.8 66.3 -61.6 -32.7 19.9 -10.2 71.5 43 44 A S T 3< S+ 0 0 98 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.645 103.6 48.1 -63.7 -13.7 21.3 -13.1 69.3 44 45 A T T < S+ 0 0 100 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.412 90.6 98.1-109.5 -0.9 18.9 -15.5 71.0 45 46 A L S < S- 0 0 15 -3,-1.5 3,-0.4 -4,-0.2 5,-0.1 -0.610 73.3-129.8 -89.7 149.3 15.7 -13.4 70.7 46 47 A P S S+ 0 0 36 0, 0.0 684,-0.2 0, 0.0 -1,-0.1 0.854 102.8 12.1 -71.3 -33.8 13.2 -14.0 67.9 47 48 A F S S- 0 0 13 2,-0.3 3,-0.1 683,-0.0 679,-0.1 0.050 109.1-100.8-128.1 25.6 12.8 -10.4 66.7 48 49 A G S S+ 0 0 14 -3,-0.4 2,-0.4 -6,-0.3 -6,-0.1 0.631 86.3 112.4 68.6 18.4 15.7 -8.7 68.4 49 50 A K - 0 0 124 -7,-0.1 -2,-0.3 2,-0.1 -1,-0.2 -0.928 52.7-117.2-127.4 150.5 13.6 -7.2 71.2 50 51 A I S S+ 0 0 20 -2,-0.4 2,-0.2 11,-0.1 -43,-0.1 -0.861 72.5 68.0-119.2 161.6 12.9 -7.5 74.9 51 52 A P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.412 60.4 167.1 -70.5 155.7 11.1 -8.1 77.1 52 53 A I E -AC 6 61A 7 -46,-1.2 -46,-2.6 9,-0.2 2,-0.4 -0.952 21.0-154.2-126.5 153.7 10.8 -11.9 76.5 53 54 A L E -AC 5 60A 0 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.980 6.9-150.3-129.0 123.5 9.2 -14.3 79.0 54 55 A E E -AC 4 59A 59 -50,-3.4 -50,-2.2 -2,-0.4 2,-0.4 -0.797 12.0-169.8 -94.4 133.6 10.3 -17.9 79.0 55 56 A V E > S-AC 3 58A 8 3,-2.9 3,-2.6 -2,-0.5 -52,-0.2 -0.989 70.8 -26.5-127.4 117.9 7.7 -20.3 80.1 56 57 A D T 3 S- 0 0 109 -54,-2.1 -1,-0.1 -2,-0.4 -53,-0.1 0.894 129.5 -45.9 36.7 51.2 8.7 -23.9 80.7 57 58 A G T 3 S+ 0 0 67 -55,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.438 117.6 112.9 81.2 -3.3 11.5 -23.5 78.2 58 59 A L E < -C 55 0A 110 -3,-2.6 -3,-2.9 -5,-0.0 2,-0.5 -0.903 62.5-127.8-107.0 141.9 9.4 -21.7 75.5 59 60 A T E -C 54 0A 50 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.668 21.9-175.9 -94.2 127.1 9.9 -18.1 74.5 60 61 A L E -C 53 0A 0 -7,-2.5 -7,-2.2 -2,-0.5 2,-0.3 -0.895 11.5-174.9-106.5 152.5 7.1 -15.5 74.5 61 62 A H E +C 52 0A 10 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.846 39.4 65.7-138.2 176.1 7.7 -12.0 73.3 62 63 A Q > - 0 0 18 -11,-0.9 4,-2.3 -2,-0.3 5,-0.2 0.825 69.0-122.6 75.2 110.1 6.0 -8.6 73.0 63 64 A S H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.822 107.3 41.5 -51.0 -42.4 5.2 -6.9 76.3 64 65 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.839 111.9 55.1 -84.1 -29.5 1.4 -6.5 75.8 65 66 A A H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.900 112.3 45.1 -58.5 -46.0 1.0 -9.9 74.2 66 67 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.953 112.2 50.8 -66.1 -44.6 2.7 -11.4 77.4 67 68 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.909 111.7 47.6 -61.6 -43.7 0.6 -9.2 79.7 68 69 A R H >X S+ 0 0 21 -4,-2.5 4,-1.1 1,-0.2 3,-0.6 0.944 110.6 52.2 -61.4 -46.4 -2.6 -10.4 78.0 69 70 A Y H >< S+ 0 0 35 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.915 110.2 49.3 -50.3 -49.8 -1.4 -14.0 78.2 70 71 A L H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.763 111.2 47.9 -67.2 -23.6 -0.8 -13.7 81.9 71 72 A T H X< S+ 0 0 2 -4,-1.3 3,-1.8 -3,-0.6 6,-0.5 0.564 79.1 119.9 -95.6 -12.4 -4.2 -12.1 82.7 72 73 A K T << S+ 0 0 56 -4,-1.1 3,-0.1 -3,-0.7 4,-0.0 -0.297 85.4 11.5 -52.7 135.5 -6.3 -14.6 80.8 73 74 A N T 3 S+ 0 0 130 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.797 110.8 106.9 64.4 26.1 -8.8 -16.4 83.2 74 75 A T S X S- 0 0 39 -3,-1.8 3,-1.4 4,-0.1 4,-0.3 -0.878 86.6-106.7-124.3 168.5 -8.0 -13.9 86.0 75 76 A D T 3 S+ 0 0 73 -2,-0.3 3,-0.3 1,-0.3 -3,-0.1 0.588 115.5 67.2 -69.4 -9.1 -10.0 -11.0 87.6 76 77 A L T 3 S+ 0 0 0 -5,-0.2 71,-1.9 1,-0.2 72,-0.3 0.627 84.5 75.8 -81.7 -13.7 -7.5 -8.6 85.7 77 78 A A S < S- 0 0 11 -3,-1.4 10,-0.2 -6,-0.5 2,-0.2 0.770 107.9 -88.4 -67.8 -35.7 -8.8 -9.5 82.2 78 79 A G - 0 0 6 -4,-0.3 -1,-0.2 -3,-0.3 -4,-0.1 -0.201 32.7-115.7 114.8 133.4 -12.2 -7.8 81.8 79 80 A N S S+ 0 0 97 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.569 92.7 26.5 -87.0 -11.3 -15.3 -9.6 83.0 80 81 A T S > S- 0 0 68 -3,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.899 85.8-104.9-141.1 170.5 -16.9 -9.9 79.5 81 82 A E H > S+ 0 0 90 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.892 122.6 51.1 -68.1 -37.1 -15.8 -10.2 75.9 82 83 A M H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.6 45.4 -65.3 -45.2 -16.9 -6.6 75.3 83 84 A E H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 109.0 56.1 -67.1 -39.8 -15.0 -5.4 78.4 84 85 A Q H X S+ 0 0 39 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.895 106.4 51.3 -54.0 -37.7 -12.0 -7.4 77.3 85 86 A C H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.925 110.7 48.1 -66.9 -40.7 -12.1 -5.5 74.1 86 87 A H H X S+ 0 0 37 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.850 107.8 54.2 -67.1 -38.8 -12.1 -2.2 76.0 87 88 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.975 111.9 45.2 -57.8 -52.1 -9.3 -3.2 78.2 88 89 A D H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.866 111.8 53.2 -56.1 -39.2 -7.2 -4.0 75.0 89 90 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.904 109.8 45.2 -72.4 -39.4 -8.3 -0.8 73.4 90 91 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.892 113.1 52.5 -67.1 -40.9 -7.3 1.5 76.3 91 92 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.944 110.4 46.1 -57.0 -46.1 -4.0 -0.4 76.5 92 93 A D H X S+ 0 0 7 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.842 109.6 55.7 -71.5 -32.6 -3.3 0.1 72.8 93 94 A T H X S+ 0 0 13 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.916 112.5 42.2 -59.4 -44.9 -4.3 3.9 73.1 94 95 A L H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.928 114.5 51.0 -65.5 -46.0 -1.7 4.4 75.8 95 96 A D H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 106.9 54.2 -63.9 -41.2 0.9 2.3 74.0 96 97 A D H < S+ 0 0 65 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.899 111.4 44.9 -57.1 -45.5 0.4 4.3 70.8 97 98 A F H >X S+ 0 0 21 -4,-1.6 3,-1.7 1,-0.2 4,-0.6 0.948 110.4 53.5 -71.0 -41.4 1.1 7.5 72.7 98 99 A M H >< S+ 0 0 19 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.891 105.4 56.0 -55.1 -39.7 4.2 6.1 74.6 99 100 A S T 3< S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.528 89.7 74.4 -76.9 -8.4 5.6 5.0 71.2 100 101 A C T <4 S+ 0 0 62 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.800 79.6 93.2 -64.5 -28.5 5.4 8.6 69.9 101 102 A F S << S- 0 0 8 -3,-1.3 2,-2.0 -4,-0.6 3,-0.2 -0.429 81.9-129.3 -74.3 138.8 8.4 9.5 72.1 102 103 A P > + 0 0 26 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.463 40.7 164.9 -80.7 68.2 12.0 9.2 70.6 103 104 A W T 3 S+ 0 0 93 -2,-2.0 8,-0.0 1,-0.3 -4,-0.0 0.840 74.2 41.9 -57.7 -33.9 13.4 7.1 73.5 104 105 A A T 3 S+ 0 0 81 -3,-0.2 -1,-0.3 7,-0.0 2,-0.1 0.327 80.0 135.5 -97.5 6.9 16.5 6.0 71.6 105 106 A E < - 0 0 72 -3,-2.0 6,-0.1 1,-0.1 0, 0.0 -0.367 40.1-159.8 -59.8 128.3 17.3 9.5 70.1 106 107 A K S S+ 0 0 178 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 0.895 70.5 81.6 -77.2 -42.3 21.0 10.1 70.4 107 108 A K > - 0 0 127 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.533 69.0-157.9 -69.9 107.2 21.1 13.9 70.1 108 109 A Q H > S+ 0 0 125 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.867 86.5 51.0 -53.9 -48.1 20.1 15.1 73.6 109 110 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 114.0 44.0 -62.2 -45.3 18.8 18.6 72.6 110 111 A V H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.845 111.4 53.5 -67.7 -33.1 16.5 17.2 69.9 111 112 A K H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.985 112.6 46.3 -63.8 -56.8 15.3 14.3 72.1 112 113 A E H X S+ 0 0 120 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.855 109.5 52.3 -44.3 -51.2 14.4 16.9 74.8 113 114 A Q H X S+ 0 0 104 -4,-2.2 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T > S+ 0 0 83 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.354 74.3 112.9 -85.0 7.8 12.2 -6.4 45.9 763 767 D L T < S+ 0 0 10 -3,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.797 84.4 33.4 -46.8 -39.3 11.4 -6.8 49.8 764 768 D L T > S+ 0 0 3 -3,-0.5 3,-2.0 -4,-0.2 -1,-0.3 0.237 80.0 111.8-111.0 16.5 10.9 -10.6 49.5 765 769 D D T < S+ 0 0 60 -3,-2.0 -170,-1.9 1,-0.3 -169,-0.3 0.759 86.6 42.5 -63.7 -23.5 13.3 -11.5 46.8 766 770 D N T 3 S+ 0 0 102 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.339 110.6 62.8 -97.1 9.1 15.5 -13.4 49.3 767 771 D H X> + 0 0 13 -3,-2.0 4,-1.6 1,-0.1 3,-1.2 -0.519 47.4 163.3-139.5 64.7 12.5 -15.0 51.0 768 772 D P H 3> S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.846 80.7 60.9 -46.5 -37.9 10.4 -17.4 48.8 769 773 D R H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.851 102.3 50.1 -67.2 -29.6 8.8 -18.8 51.9 770 774 D L H <> S+ 0 0 0 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.886 111.3 48.9 -74.2 -35.1 7.4 -15.4 52.9 771 775 D V H X S+ 0 0 9 -4,-1.6 4,-2.6 -7,-0.3 -2,-0.2 0.955 110.1 51.2 -62.8 -48.2 5.9 -14.9 49.4 772 776 D T H X S+ 0 0 33 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.917 106.6 54.2 -56.7 -46.7 4.4 -18.4 49.6 773 777 D L H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.924 108.0 50.1 -54.3 -46.5 2.8 -17.5 53.0 774 778 D R H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.956 110.9 49.2 -53.3 -50.4 1.2 -14.4 51.4 775 779 D K H X S+ 0 0 15 -4,-2.6 4,-1.5 -216,-0.2 -2,-0.2 0.927 106.4 57.0 -55.8 -44.4 -0.1 -16.6 48.5 776 780 D K H X S+ 0 0 46 -4,-3.1 4,-0.6 1,-0.2 3,-0.5 0.916 109.9 44.5 -52.1 -48.6 -1.5 -19.2 51.0 777 781 D V H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.925 112.9 50.7 -58.9 -49.3 -3.5 -16.4 52.7 778 782 D Q H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.651 105.7 57.5 -66.6 -17.7 -4.7 -15.0 49.3 779 783 D A H 3< S+ 0 0 52 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.558 73.1 110.8 -92.3 -13.4 -5.9 -18.4 48.1 780 784 D I S XX S- 0 0 27 -3,-1.0 4,-2.8 -4,-0.6 3,-0.6 -0.498 77.9-127.8 -63.9 127.7 -8.3 -19.0 51.0 781 785 D P H 3> S+ 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.848 103.1 46.5 -57.6 -42.7 -11.6 -18.8 49.1 782 786 D A H 3> S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.846 116.3 46.0 -66.6 -32.1 -13.3 -16.1 51.3 783 787 D V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.913 110.4 53.2 -72.8 -44.0 -10.2 -14.0 51.3 784 788 D A H X S+ 0 0 38 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.910 109.6 49.5 -56.7 -40.9 -9.7 -14.3 47.5 785 789 D N H X S+ 0 0 72 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.931 112.1 47.3 -69.7 -42.8 -13.3 -13.2 47.0 786 790 D W H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.912 112.3 49.3 -60.0 -48.6 -12.8 -10.1 49.3 787 791 D I H < S+ 0 0 38 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.946 112.6 48.2 -57.6 -50.4 -9.5 -9.2 47.6 788 792 D K H < S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 120.5 37.8 -53.6 -43.6 -11.1 -9.4 44.1 789 793 D R H < S+ 0 0 160 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.582 91.1 102.4 -92.2 -12.7 -14.1 -7.3 45.2 790 794 D R S < S- 0 0 27 -4,-1.8 2,-0.1 -3,-0.3 -3,-0.0 -0.320 83.7 -85.6 -76.4 159.3 -12.7 -4.7 47.5 791 795 D P - 0 0 54 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.368 43.6-119.3 -60.4 131.9 -12.1 -1.0 46.4 792 796 D Q + 0 0 144 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.663 47.8 159.9 -81.3 105.1 -8.7 -0.5 44.8 793 797 D T - 0 0 31 -2,-1.0 -186,-0.1 1,-0.1 -3,-0.0 -0.876 43.6-134.2-125.2 155.3 -6.7 1.9 46.8 794 798 D K 0 0 148 -2,-0.3 -1,-0.1 -186,-0.0 -36,-0.1 0.959 360.0 360.0 -63.4 -50.3 -3.0 2.6 47.1 795 799 D L 0 0 42 -189,-0.2 -37,-0.1 -187,-0.0 -188,-0.1 0.802 360.0 360.0 64.4 360.0 -2.8 2.7 50.8