==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-SEP-07 2VCZ . COMPND 2 MOLECULE: GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HOHWY,L.SPADOLA,B.LUNDQUIST,K.VON WACHENFELDT, . 771 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 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 . 7 0.9 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 . 44 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 0 10 2 2 5 2 2 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 7 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 0 115 0, 0.0 2,-0.8 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 157.0 110.1 56.4 18.7 2 3 A N - 0 0 115 26,-0.1 54,-2.8 2,-0.0 2,-0.4 -0.807 360.0-169.7 -92.9 108.4 108.7 52.9 19.2 3 4 A Y E -A 55 0A 26 -2,-0.8 26,-2.4 24,-0.5 2,-0.4 -0.841 12.6-177.8-104.1 134.9 106.2 52.3 16.5 4 5 A K E -Ab 54 29A 59 50,-2.2 50,-2.7 -2,-0.4 2,-0.5 -0.961 8.7-161.9-132.1 115.2 103.8 49.3 16.2 5 6 A L E -Ab 53 30A 0 24,-2.7 26,-2.1 -2,-0.4 2,-0.5 -0.826 5.5-164.6 -97.5 128.3 101.4 48.9 13.3 6 7 A T E +Ab 52 31A 3 46,-2.4 46,-1.4 -2,-0.5 2,-0.3 -0.962 30.0 118.0-116.4 127.5 98.4 46.6 13.6 7 8 A Y E - b 0 32A 16 24,-1.9 26,-2.3 -2,-0.5 2,-0.1 -0.922 61.0 -71.2-162.9-178.6 96.4 45.4 10.6 8 9 A F E - b 0 33A 55 -2,-0.3 2,-1.9 24,-0.2 26,-0.1 -0.300 60.7 -87.5 -77.6 170.7 95.3 42.2 8.8 9 10 A N S S+ 0 0 91 24,-0.8 2,-0.3 23,-0.1 189,-0.2 -0.624 99.8 88.6 -79.5 84.4 97.8 40.1 6.7 10 11 A M S S- 0 0 46 -2,-1.9 4,-0.2 1,-0.2 185,-0.0 -0.958 82.0-121.4-173.2 154.1 97.1 42.2 3.6 11 12 A R S >> S+ 0 0 18 187,-2.9 4,-1.7 -2,-0.3 3,-1.3 0.981 73.7 119.1 -68.5 -66.1 98.4 45.4 1.9 12 13 A G T 34 S- 0 0 28 1,-0.2 3,-0.4 2,-0.2 4,-0.3 -0.003 88.8 -18.4 43.2-135.5 94.9 47.0 2.1 13 14 A R T 34 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.519 135.3 58.6 -82.1 -7.5 94.6 50.2 4.0 14 15 A A T X> S+ 0 0 0 -3,-1.3 4,-1.7 -4,-0.2 3,-0.8 0.723 81.4 84.1 -92.7 -19.1 97.9 49.8 6.0 15 16 A E H 3X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.4 5,-0.2 0.832 84.0 58.2 -55.2 -38.5 100.2 49.6 2.9 16 17 A I H 3> S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.916 107.8 48.2 -59.1 -39.8 100.5 53.4 2.6 17 18 A I H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -1,-0.2 0.916 109.8 52.6 -63.6 -44.4 101.9 53.5 6.1 18 19 A R H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.874 109.0 49.2 -60.9 -41.1 104.3 50.7 5.4 19 20 A Y H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.891 110.6 51.0 -64.2 -42.3 105.7 52.5 2.3 20 21 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.921 110.5 47.2 -63.0 -47.0 106.2 55.7 4.3 21 22 A F H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.6 0.953 114.6 48.4 -58.6 -48.4 108.1 53.9 7.1 22 23 A A H ><5S+ 0 0 15 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.934 113.5 46.3 -55.1 -51.4 110.2 52.1 4.5 23 24 A Y H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.866 114.8 45.6 -62.1 -42.0 110.9 55.4 2.6 24 25 A L H 3<5S- 0 0 47 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.425 109.3-122.7 -83.0 0.7 111.8 57.4 5.7 25 26 A D T <<5 + 0 0 128 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.2 0.930 57.8 154.3 56.0 48.1 114.0 54.6 7.1 26 27 A I < - 0 0 47 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.940 39.0-134.1-109.2 124.5 111.9 54.4 10.3 27 28 A Q + 0 0 153 -2,-0.5 -24,-0.5 -26,-0.1 2,-0.3 -0.549 35.5 156.1 -80.3 143.8 111.8 51.1 12.1 28 29 A Y - 0 0 48 -2,-0.2 2,-0.6 -26,-0.1 -24,-0.2 -0.975 46.1-101.8-158.8 160.5 108.5 49.7 13.3 29 30 A E E -b 4 0A 102 -26,-2.4 -24,-2.7 -2,-0.3 2,-1.3 -0.835 28.4-149.6 -91.5 123.0 106.8 46.4 14.3 30 31 A D E -b 5 0A 44 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.1 -0.698 19.3-170.0 -94.2 83.6 104.6 45.2 11.4 31 32 A H E -b 6 0A 51 -26,-2.1 -24,-1.9 -2,-1.3 2,-0.5 -0.660 4.9-174.0 -83.3 117.8 102.0 43.3 13.4 32 33 A R E -b 7 0A 45 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.941 8.0-160.0-112.3 129.5 99.6 41.3 11.2 33 34 A I E -b 8 0A 4 -26,-2.3 -24,-0.8 -2,-0.5 2,-0.3 -0.726 13.4-133.7-109.7 157.5 96.6 39.5 12.8 34 35 A E >> - 0 0 151 -2,-0.3 3,-2.2 -26,-0.1 4,-0.7 -0.788 39.6-102.2-101.3 153.0 94.4 36.7 11.9 35 36 A Q G >4 S+ 0 0 163 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.788 118.4 66.0 -44.4 -37.9 90.6 37.1 12.3 36 37 A A G 34 S+ 0 0 90 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.800 101.6 48.4 -57.0 -32.8 90.6 35.1 15.5 37 38 A D G <> S+ 0 0 77 -3,-2.2 4,-1.8 1,-0.1 -1,-0.3 0.653 96.8 80.2 -78.8 -18.6 92.7 37.8 17.2 38 39 A W H S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.853 113.8 44.0 -43.1 -44.5 87.3 40.5 18.4 40 41 A E H > S+ 0 0 151 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.920 117.0 44.0 -69.2 -44.6 89.6 40.9 21.4 41 42 A I H >X S+ 0 0 46 -4,-1.8 3,-1.6 1,-0.2 4,-0.6 0.955 111.8 55.7 -61.5 -48.8 91.8 43.6 19.8 42 43 A K H >< S+ 0 0 88 -4,-3.6 3,-1.8 1,-0.3 6,-0.3 0.872 100.2 57.7 -50.4 -48.9 88.7 45.4 18.4 43 44 A S H 3< S+ 0 0 97 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.689 103.6 54.0 -59.6 -21.8 87.1 45.7 21.9 44 45 A T H << S+ 0 0 96 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.625 91.9 94.0 -87.2 -13.2 90.1 47.6 23.1 45 46 A L S X< S- 0 0 21 -3,-1.8 3,-0.6 -4,-0.6 5,-0.0 -0.706 71.4-141.3 -92.0 124.6 89.9 50.2 20.3 46 47 A P T 3 S+ 0 0 73 0, 0.0 286,-0.2 0, 0.0 -1,-0.1 0.784 106.5 20.9 -45.3 -38.6 88.0 53.5 20.7 47 48 A F T 3 S- 0 0 14 2,-0.2 3,-0.1 285,-0.0 -4,-0.1 0.318 100.1-130.9-117.8 3.2 86.6 53.3 17.1 48 49 A G < + 0 0 10 -3,-0.6 2,-0.3 -6,-0.3 -6,-0.1 0.707 65.4 111.9 56.7 30.0 87.0 49.5 16.6 49 50 A K - 0 0 141 2,-0.1 -2,-0.2 -7,-0.1 -1,-0.2 -0.930 56.0-100.4-131.0 154.3 88.7 49.7 13.2 50 51 A I S S+ 0 0 22 -2,-0.3 2,-0.1 -3,-0.1 -43,-0.1 -0.907 79.2 61.2-120.6 157.1 92.2 48.9 11.8 51 52 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.373 63.1 167.8 -72.6 156.5 94.8 50.0 11.0 52 53 A I E -AC 6 61A 6 -46,-1.4 -46,-2.4 9,-0.2 2,-0.4 -0.933 21.8-150.6-128.8 155.4 96.0 51.5 14.2 53 54 A L E -AC 5 60A 0 7,-2.4 7,-3.6 -2,-0.3 2,-0.5 -0.995 4.0-154.4-130.3 125.1 99.5 52.7 15.0 54 55 A E E -AC 4 59A 56 -50,-2.7 -50,-2.2 -2,-0.4 2,-0.6 -0.882 9.7-168.6 -98.6 123.5 100.8 52.7 18.6 55 56 A V E > S-AC 3 58A 5 3,-3.2 3,-2.1 -2,-0.5 -52,-0.2 -0.945 76.1 -27.3-117.0 108.5 103.5 55.3 19.2 56 57 A D T 3 S- 0 0 106 -54,-2.8 -1,-0.2 -2,-0.6 -53,-0.1 0.913 129.4 -48.0 50.1 43.2 105.4 54.8 22.5 57 58 A G T 3 S+ 0 0 61 -55,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.142 114.5 117.1 88.4 -20.5 102.2 53.2 23.7 58 59 A L E < -C 55 0A 102 -3,-2.1 -3,-3.2 1,-0.0 2,-0.4 -0.713 61.5-132.8 -84.8 127.8 99.7 55.9 22.5 59 60 A T E -C 54 0A 54 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.690 22.1-174.1 -92.0 128.2 97.3 54.6 19.9 60 61 A L E -C 53 0A 0 -7,-3.6 -7,-2.4 -2,-0.4 2,-0.3 -0.822 6.5-171.3-112.3 153.8 96.5 56.4 16.7 61 62 A H E +C 52 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.836 43.7 70.5-138.8 174.8 93.9 55.4 14.1 62 63 A Q > - 0 0 21 -11,-0.8 4,-2.7 -2,-0.3 5,-0.2 0.865 66.2-130.6 75.3 101.0 92.7 56.3 10.6 63 64 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.831 104.0 42.0 -51.1 -42.7 95.2 55.2 8.0 64 65 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.841 112.3 54.0 -78.4 -33.0 95.5 58.4 6.0 65 66 A A H > S+ 0 0 0 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.920 113.0 45.5 -61.7 -43.0 95.5 60.5 9.2 66 67 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 110.5 52.9 -65.3 -46.6 98.4 58.3 10.3 67 68 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.920 110.4 47.5 -57.0 -43.7 100.1 58.6 6.9 68 69 A R H X S+ 0 0 27 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.927 109.4 53.6 -64.4 -43.8 100.0 62.4 7.0 69 70 A Y H >< S+ 0 0 30 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.885 108.3 50.4 -55.7 -43.0 101.3 62.4 10.5 70 71 A L H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 109.6 49.7 -68.9 -29.8 104.3 60.3 9.4 71 72 A T H >< S+ 0 0 1 -4,-1.4 3,-2.1 -3,-0.4 6,-0.6 0.518 81.3 135.0 -86.7 -5.5 105.2 62.6 6.5 72 73 A K T << S+ 0 0 56 -4,-0.8 3,-0.1 -3,-0.7 4,-0.1 -0.154 79.3 1.0 -45.7 126.2 105.0 65.7 8.7 73 74 A N T 3 S+ 0 0 129 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.697 110.5 109.6 64.0 22.2 108.0 68.0 8.0 74 75 A T S X S- 0 0 33 -3,-2.1 3,-1.2 4,-0.1 4,-0.4 -0.813 82.7-111.9-118.9 164.6 109.4 65.7 5.3 75 76 A D G > S+ 0 0 106 -2,-0.3 3,-1.1 1,-0.2 69,-0.1 0.757 110.6 73.3 -67.1 -23.8 109.5 66.2 1.5 76 77 A L G 3 S+ 0 0 1 1,-0.2 71,-2.3 70,-0.1 72,-0.3 0.729 88.8 60.9 -60.4 -24.6 107.0 63.4 1.1 77 78 A A G < S- 0 0 10 -3,-1.2 -1,-0.2 -6,-0.6 11,-0.2 0.757 124.5 -83.1 -75.6 -23.9 104.2 65.7 2.4 78 79 A G < - 0 0 3 -3,-1.1 -1,-0.2 -4,-0.4 6,-0.1 -0.254 35.1-105.0 122.0 144.6 104.6 68.3 -0.3 79 80 A N S S+ 0 0 67 -2,-0.2 2,-0.3 65,-0.1 -1,-0.1 0.659 98.7 21.8 -76.7 -20.4 107.1 71.1 -0.5 80 81 A T S > S- 0 0 63 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.869 87.0-102.5-137.6 170.0 104.7 74.0 0.4 81 82 A E H > S+ 0 0 89 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.855 124.5 52.6 -64.9 -32.7 101.3 74.2 2.1 82 83 A M H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 109.8 45.7 -67.9 -45.9 99.8 74.6 -1.3 83 84 A E H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.897 109.0 56.9 -64.5 -37.4 101.5 71.4 -2.6 84 85 A Q H X S+ 0 0 40 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.866 104.9 53.4 -58.7 -35.2 100.5 69.6 0.6 85 86 A C H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.943 110.1 45.4 -65.2 -46.6 96.9 70.6 -0.4 86 87 A H H X S+ 0 0 38 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.912 113.2 51.2 -62.4 -43.6 97.2 69.0 -3.8 87 88 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.955 112.2 45.7 -56.1 -54.0 98.9 66.0 -2.3 88 89 A D H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.889 113.1 51.4 -56.9 -40.7 96.0 65.6 0.3 89 90 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.901 109.2 48.0 -66.8 -43.2 93.4 66.1 -2.5 90 91 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.937 112.5 50.4 -62.7 -43.7 94.9 63.5 -4.8 91 92 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 111.7 47.8 -58.2 -47.9 95.0 61.0 -1.9 92 93 A D H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.851 109.8 52.9 -60.1 -39.9 91.3 61.8 -1.1 93 94 A T H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.910 112.3 44.6 -64.1 -44.6 90.3 61.4 -4.8 94 95 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 114.5 49.2 -65.3 -42.1 91.9 58.0 -4.9 95 96 A D H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 106.7 55.6 -66.3 -43.1 90.4 57.0 -1.5 96 97 A D H < S+ 0 0 45 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.926 111.9 44.7 -52.1 -47.4 86.9 58.1 -2.6 97 98 A F H >< S+ 0 0 17 -4,-1.8 3,-1.6 1,-0.2 4,-0.4 0.926 110.8 50.6 -67.1 -45.5 87.2 55.8 -5.6 98 99 A M H >< S+ 0 0 15 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.860 103.7 61.8 -60.5 -35.5 88.6 52.7 -3.7 99 100 A S T 3< S+ 0 0 76 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.592 89.3 71.9 -66.4 -13.7 85.8 53.1 -1.2 100 101 A C T < S+ 0 0 62 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.789 77.8 94.8 -70.7 -26.9 83.3 52.5 -4.0 101 102 A F S < S- 0 0 7 -3,-1.4 2,-2.2 -4,-0.4 3,-0.2 -0.489 79.7-130.2 -73.1 131.2 84.3 48.8 -4.1 102 103 A P > + 0 0 22 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.459 39.6 167.1 -77.9 69.5 82.1 46.3 -2.1 103 104 A W T 3 S+ 0 0 88 -2,-2.2 -2,-0.0 1,-0.3 -4,-0.0 0.741 73.3 41.0 -56.6 -30.9 85.1 44.7 -0.5 104 105 A A T 3 S+ 0 0 92 -3,-0.2 -1,-0.3 7,-0.0 2,-0.1 0.295 79.6 139.1-104.6 9.5 83.0 42.9 2.1 105 106 A E < - 0 0 66 -3,-1.7 6,-0.0 1,-0.1 0, 0.0 -0.329 36.2-163.6 -60.6 127.0 80.2 41.8 -0.1 106 107 A K S S+ 0 0 189 -2,-0.1 2,-1.0 1,-0.1 -1,-0.1 0.707 70.1 81.7 -87.2 -23.2 79.2 38.2 0.7 107 108 A K > - 0 0 135 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.763 68.7-158.6 -85.7 107.2 77.2 37.5 -2.5 108 109 A Q H > S+ 0 0 170 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.803 89.3 51.2 -56.8 -35.2 80.0 36.6 -5.0 109 110 A D H > S+ 0 0 114 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 110.9 47.4 -71.0 -40.5 77.9 37.3 -8.0 110 111 A V H > S+ 0 0 54 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 112.7 50.3 -63.5 -45.0 76.9 40.8 -6.7 111 112 A K H X S+ 0 0 60 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.951 112.2 46.7 -58.8 -50.4 80.5 41.5 -5.9 112 113 A E H X S+ 0 0 131 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 113.7 48.6 -57.7 -48.5 81.6 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106.0 56.8 -63.6 -43.3 83.7 61.9 7.0 295 97 B D H < S+ 0 0 59 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.856 112.0 43.5 -54.8 -39.7 83.7 58.1 6.5 296 98 B F H >< S+ 0 0 20 -4,-1.5 3,-1.1 -5,-0.2 4,-0.4 0.938 113.5 47.8 -75.9 -45.7 80.2 57.9 8.0 297 99 B M H >< S+ 0 0 19 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.860 107.6 57.1 -64.2 -33.6 78.7 60.9 6.2 298 100 B S T 3< S+ 0 0 50 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.641 91.2 72.7 -74.5 -12.5 80.0 59.7 2.9 299 101 B C T < S+ 0 0 74 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.721 76.9 97.8 -69.1 -24.3 78.2 56.4 3.3 300 102 B F S < S- 0 0 6 -3,-1.2 2,-2.0 -4,-0.4 3,-0.2 -0.503 80.5-130.5 -69.6 131.8 74.9 58.2 2.6 301 103 B P > + 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.496 40.3 164.9 -81.2 72.0 73.6 57.9 -1.0 302 104 B W T 3 S+ 0 0 75 -2,-2.0 -3,-0.0 1,-0.3 -4,-0.0 0.755 73.7 46.4 -60.5 -26.9 73.1 61.7 -1.3 303 105 B A T 3 S+ 0 0 95 -3,-0.2 2,-0.4 7,-0.0 -1,-0.3 0.214 77.7 132.2-104.1 13.0 72.9 61.3 -5.1 304 106 B E < - 0 0 59 -3,-1.7 6,-0.1 1,-0.2 0, 0.0 -0.523 38.4-166.0 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