==== 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 27-SEP-07 2VCW . COMPND 2 MOLECULE: GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HOHWY,L.SPADOLA,B.LUNDQUIST,K.VON WACHENFELDT, . 766 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.2 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 . 6 0.8 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 1 0 11 1 1 5 2 1 0 4 1 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 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 0 112 0, 0.0 2,-0.9 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 153.2 -5.7 48.6 -14.7 2 3 A N - 0 0 111 26,-0.1 54,-2.9 2,-0.0 55,-0.5 -0.789 360.0-171.3 -90.4 103.3 -9.1 47.2 -15.3 3 4 A Y E -A 55 0A 23 -2,-0.9 26,-2.3 24,-0.5 2,-0.4 -0.818 13.6-178.9-102.4 132.9 -9.7 44.6 -12.5 4 5 A K E -Ab 54 29A 60 50,-2.4 50,-3.0 -2,-0.4 2,-0.5 -0.963 9.0-162.0-131.2 116.4 -12.6 42.2 -12.2 5 6 A L E -Ab 53 30A 0 24,-2.7 26,-1.8 -2,-0.4 2,-0.5 -0.833 6.8-163.6 -97.7 128.8 -12.9 39.8 -9.3 6 7 A T E +Ab 52 31A 4 46,-2.6 46,-1.4 -2,-0.5 2,-0.3 -0.964 29.7 119.5-116.4 127.9 -15.2 36.8 -9.6 7 8 A Y E - b 0 32A 17 24,-2.0 26,-2.4 -2,-0.5 5,-0.0 -0.920 59.9 -71.8-162.9-178.8 -16.4 34.8 -6.7 8 9 A F E - b 0 33A 39 -2,-0.3 2,-1.7 24,-0.2 26,-0.1 -0.228 61.0 -87.4 -76.2 172.6 -19.5 33.6 -4.8 9 10 A N S S+ 0 0 88 24,-0.6 2,-0.3 23,-0.1 189,-0.2 -0.666 98.6 82.5 -85.1 81.9 -21.6 36.0 -2.6 10 11 A M S S- 0 0 50 -2,-1.7 4,-0.1 1,-0.2 185,-0.0 -0.951 84.6-114.1-170.1 163.1 -19.6 35.5 0.5 11 12 A R S >> S+ 0 0 16 187,-2.6 4,-1.6 -2,-0.3 3,-1.3 0.985 74.8 120.5 -67.5 -67.2 -16.3 36.7 2.1 12 13 A G T 34 S- 0 0 28 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.004 88.3 -19.3 44.5-136.4 -14.7 33.2 1.8 13 14 A R T 34 S+ 0 0 80 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.517 135.6 59.8 -82.8 -4.3 -11.5 33.0 -0.1 14 15 A A T X> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.1 3,-0.8 0.738 81.3 83.2 -92.0 -20.8 -12.0 36.2 -2.0 15 16 A E H 3X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.5 5,-0.2 0.844 84.3 57.8 -56.0 -39.8 -12.2 38.5 1.1 16 17 A I H 3> S+ 0 0 1 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.906 108.6 47.4 -57.6 -40.8 -8.4 38.9 1.4 17 18 A I H <> S+ 0 0 0 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.2 0.918 110.0 52.8 -63.8 -45.6 -8.3 40.2 -2.2 18 19 A R H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.899 109.3 49.2 -60.1 -40.8 -11.2 42.6 -1.4 19 20 A Y H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.885 111.0 50.5 -63.4 -41.8 -9.3 44.0 1.7 20 21 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.920 110.1 48.3 -64.6 -47.4 -6.1 44.5 -0.3 21 22 A F H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.948 113.9 48.2 -56.9 -48.4 -7.9 46.4 -3.0 22 23 A A H ><5S+ 0 0 15 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.935 113.0 46.9 -57.8 -49.1 -9.6 48.6 -0.4 23 24 A Y H 3<5S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.884 114.9 45.2 -62.1 -41.9 -6.4 49.3 1.5 24 25 A L T 3<5S- 0 0 46 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.366 109.3-123.2 -84.5 3.8 -4.4 50.2 -1.7 25 26 A D T < 5 + 0 0 130 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.906 56.5 155.9 53.4 47.4 -7.3 52.3 -3.0 26 27 A I < - 0 0 47 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.923 38.9-131.7-107.1 125.2 -7.5 50.3 -6.2 27 28 A Q + 0 0 151 -2,-0.5 -24,-0.5 -26,-0.1 2,-0.3 -0.528 37.8 153.7 -77.0 142.2 -10.8 50.2 -8.1 28 29 A Y - 0 0 49 -2,-0.2 2,-0.6 -26,-0.1 -24,-0.2 -0.978 46.7-101.8-160.1 161.3 -12.3 46.9 -9.3 29 30 A E E -b 4 0A 99 -26,-2.3 -24,-2.7 -2,-0.3 2,-1.5 -0.840 25.9-151.5 -93.0 119.7 -15.5 45.1 -10.1 30 31 A D E -b 5 0A 43 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.1 -0.612 20.8-171.4 -90.7 76.4 -16.7 42.9 -7.2 31 32 A H E -b 6 0A 58 -26,-1.8 -24,-2.0 -2,-1.5 2,-0.5 -0.585 4.3-172.6 -78.5 113.7 -18.6 40.4 -9.3 32 33 A R E -b 7 0A 41 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.919 5.3-162.3-109.0 127.8 -20.6 38.0 -7.2 33 34 A I E -b 8 0A 4 -26,-2.4 -24,-0.6 -2,-0.5 2,-0.3 -0.721 12.2-132.3-107.0 156.3 -22.2 35.0 -8.9 34 35 A E > - 0 0 114 -2,-0.3 3,-2.0 -26,-0.1 4,-0.5 -0.735 37.1 -99.1-101.4 159.1 -25.0 32.7 -7.7 35 36 A Q G > S+ 0 0 127 -2,-0.3 3,-1.4 1,-0.3 -1,-0.0 0.780 118.1 63.7 -45.8 -39.3 -24.8 28.9 -8.0 36 37 A A G 3 S+ 0 0 87 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.769 103.3 47.8 -59.6 -29.8 -26.9 28.8 -11.2 37 38 A D G <> S+ 0 0 75 -3,-2.0 4,-1.5 1,-0.1 -1,-0.3 0.499 94.2 82.3 -91.0 -3.4 -24.3 30.8 -13.1 38 39 A W H <> S+ 0 0 37 -3,-1.4 4,-3.6 -4,-0.5 5,-0.3 0.937 78.9 58.5 -71.2 -51.7 -21.4 28.6 -11.9 39 40 A P H > S+ 0 0 88 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.889 112.0 42.9 -46.8 -46.4 -21.5 25.6 -14.3 40 41 A E H 4 S+ 0 0 158 -4,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.913 117.2 45.3 -66.5 -45.3 -21.0 27.9 -17.3 41 42 A I H >X S+ 0 0 36 -4,-1.5 3,-2.1 1,-0.2 4,-0.6 0.959 110.1 55.8 -61.0 -49.7 -18.4 30.1 -15.8 42 43 A K H >< S+ 0 0 88 -4,-3.6 3,-1.4 1,-0.3 6,-0.3 0.841 99.4 60.0 -50.6 -43.6 -16.5 27.0 -14.4 43 44 A S T 3< S+ 0 0 96 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.644 102.0 53.8 -63.3 -17.6 -16.2 25.4 -17.9 44 45 A T T <4 S+ 0 0 99 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.608 90.8 94.4 -91.6 -12.6 -14.2 28.5 -19.2 45 46 A L S << S- 0 0 20 -3,-1.4 3,-0.5 -4,-0.6 5,-0.0 -0.708 70.8-141.9 -91.4 124.0 -11.7 28.3 -16.4 46 47 A P S S+ 0 0 75 0, 0.0 286,-0.1 0, 0.0 -1,-0.1 0.831 107.0 23.3 -45.2 -42.4 -8.4 26.4 -16.9 47 48 A F S S- 0 0 12 2,-0.2 3,-0.1 285,-0.0 281,-0.1 0.399 100.6-131.2-110.4 0.8 -8.5 25.1 -13.3 48 49 A G + 0 0 9 -3,-0.5 2,-0.3 -6,-0.3 -6,-0.1 0.688 65.9 109.9 62.4 23.5 -12.3 25.4 -12.7 49 50 A K - 0 0 135 2,-0.1 -2,-0.2 -7,-0.1 -1,-0.2 -0.930 56.2 -98.6-130.7 154.8 -12.1 27.1 -9.4 50 51 A I S S+ 0 0 22 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.900 78.3 59.2-119.7 157.8 -12.8 30.5 -7.9 51 52 A P + 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.356 62.1 168.0 -74.4 158.6 -11.9 33.2 -7.1 52 53 A I E -AC 6 61A 6 -46,-1.4 -46,-2.6 9,-0.2 2,-0.4 -0.940 21.5-150.3-129.7 153.7 -10.3 34.4 -10.3 53 54 A L E -AC 5 60A 0 7,-2.4 7,-3.5 -2,-0.3 2,-0.5 -0.998 4.7-152.1-127.2 127.0 -9.2 38.0 -11.0 54 55 A E E -AC 4 59A 55 -50,-3.0 -50,-2.4 -2,-0.4 2,-0.6 -0.879 10.4-168.6 -98.1 125.7 -9.2 39.4 -14.6 55 56 A V E > S-AC 3 58A 5 3,-3.1 3,-1.7 -2,-0.5 -52,-0.2 -0.931 75.3 -29.2-118.5 105.0 -6.6 42.1 -15.1 56 57 A D T 3 S- 0 0 101 -54,-2.9 -1,-0.1 -2,-0.6 -53,-0.1 0.911 128.9 -46.8 52.8 41.3 -7.1 44.0 -18.4 57 58 A G T 3 S+ 0 0 60 -55,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.414 115.0 117.1 84.2 -3.0 -8.7 40.8 -19.8 58 59 A L E < -C 55 0A 100 -3,-1.7 -3,-3.1 0, 0.0 2,-0.4 -0.880 61.3-132.2-100.0 128.1 -6.0 38.4 -18.5 59 60 A T E -C 54 0A 61 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.683 22.3-174.7 -90.2 127.3 -7.2 35.8 -16.0 60 61 A L E -C 53 0A 0 -7,-3.5 -7,-2.4 -2,-0.4 2,-0.2 -0.854 6.7-170.2-111.9 150.5 -5.4 35.1 -12.7 61 62 A H E +C 52 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.813 44.0 67.5-134.6 175.3 -6.4 32.3 -10.3 62 63 A Q > - 0 0 25 -11,-0.7 4,-2.5 -2,-0.2 3,-0.2 0.856 66.3-130.2 72.7 105.0 -5.5 31.1 -6.7 63 64 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.834 103.8 42.9 -54.7 -42.0 -6.6 33.6 -4.1 64 65 A L H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.822 111.9 53.4 -77.7 -31.6 -3.3 33.8 -2.1 65 66 A A H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 113.0 45.7 -64.3 -42.0 -1.2 34.0 -5.3 66 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 110.1 53.4 -66.0 -46.1 -3.4 36.9 -6.4 67 68 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.938 111.7 45.5 -55.6 -45.6 -3.2 38.5 -2.9 68 69 A R H X S+ 0 0 26 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.927 109.9 54.4 -64.1 -44.6 0.6 38.4 -3.1 69 70 A Y H >< S+ 0 0 30 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.889 109.3 48.9 -54.0 -42.9 0.6 39.7 -6.6 70 71 A L H 3< S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 111.7 47.6 -71.4 -27.7 -1.5 42.7 -5.5 71 72 A T H >< S+ 0 0 1 -4,-1.4 3,-2.1 -3,-0.4 6,-0.6 0.541 81.0 127.6 -90.7 -7.0 0.8 43.6 -2.5 72 73 A K T << S+ 0 0 51 -4,-1.0 3,-0.1 -3,-0.5 4,-0.1 -0.235 81.5 7.6 -56.1 133.7 4.0 43.3 -4.5 73 74 A N T 3 S+ 0 0 61 1,-0.3 2,-0.3 501,-0.1 -1,-0.3 0.641 110.9 107.1 68.1 15.2 6.2 46.5 -4.1 74 75 A T S X S- 0 0 35 -3,-2.1 3,-1.1 4,-0.1 -1,-0.3 -0.779 83.0-116.9-114.8 164.8 3.8 47.7 -1.4 75 76 A D G > S+ 0 0 110 -2,-0.3 3,-0.9 1,-0.2 69,-0.1 0.694 109.5 74.5 -75.8 -14.8 4.4 47.9 2.3 76 77 A L G 3 S+ 0 0 1 1,-0.2 71,-2.3 70,-0.1 72,-0.3 0.729 88.4 62.9 -67.9 -20.7 1.6 45.5 2.8 77 78 A A G < S- 0 0 10 -3,-1.1 -1,-0.2 -6,-0.6 10,-0.2 0.745 123.0 -83.5 -74.7 -25.4 4.0 42.7 1.5 78 79 A G < - 0 0 4 -3,-0.9 -1,-0.2 -4,-0.3 6,-0.1 -0.236 34.6-105.5 121.7 144.7 6.5 43.0 4.3 79 80 A N S S+ 0 0 65 -2,-0.2 2,-0.3 65,-0.1 -1,-0.1 0.732 98.9 21.5 -76.9 -24.2 9.4 45.5 4.5 80 81 A T S > S- 0 0 62 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.842 86.7-103.7-133.2 171.0 12.3 43.1 3.6 81 82 A E H > S+ 0 0 47 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.845 124.7 53.0 -65.3 -33.8 12.5 39.7 1.8 82 83 A M H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 109.7 45.9 -65.9 -45.8 12.9 38.1 5.2 83 84 A E H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.880 109.2 56.4 -63.0 -39.0 9.7 39.9 6.6 84 85 A Q H X S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.862 104.9 53.2 -58.9 -36.3 7.9 38.9 3.4 85 86 A C H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.949 109.7 46.5 -64.2 -47.1 8.9 35.3 4.2 86 87 A H H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.876 111.9 52.2 -60.3 -42.1 7.3 35.6 7.7 87 88 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.958 111.5 45.6 -58.3 -53.5 4.2 37.2 6.2 88 89 A D H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.877 112.9 52.2 -57.3 -39.0 3.9 34.3 3.7 89 90 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.910 109.9 46.2 -68.1 -44.5 4.5 31.8 6.5 90 91 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.928 112.7 51.3 -63.2 -44.5 1.8 33.2 8.8 91 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 111.5 47.5 -57.8 -46.9 -0.7 33.3 5.9 92 93 A D H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.869 109.6 53.2 -61.1 -39.5 0.1 29.7 5.1 93 94 A T H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 112.2 44.5 -62.6 -43.4 -0.3 28.6 8.8 94 95 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 114.1 49.9 -65.4 -44.4 -3.8 30.3 8.9 95 96 A D H X S+ 0 0 19 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.893 107.3 54.1 -63.9 -43.0 -4.7 28.8 5.5 96 97 A D H < S+ 0 0 55 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.922 111.9 45.3 -55.3 -48.1 -3.6 25.2 6.6 97 98 A F H >< S+ 0 0 16 -4,-1.9 3,-1.6 1,-0.2 4,-0.4 0.930 111.4 50.4 -65.9 -43.7 -5.9 25.5 9.7 98 99 A M H >< S+ 0 0 15 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.847 103.4 62.0 -61.7 -32.0 -8.9 26.9 7.8 99 100 A S T 3< S+ 0 0 77 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.612 89.0 71.6 -68.5 -15.2 -8.5 24.1 5.2 100 101 A C T < S+ 0 0 62 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.716 77.6 96.1 -71.8 -22.9 -9.2 21.5 8.1 101 102 A F S < S- 0 0 8 -3,-1.3 2,-2.2 -4,-0.4 3,-0.2 -0.542 79.4-130.5 -75.8 131.2 -12.9 22.5 8.2 102 103 A P > + 0 0 22 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.465 39.8 165.8 -79.0 70.1 -15.3 20.3 6.2 103 104 A W T 3 S+ 0 0 89 -2,-2.2 -4,-0.0 1,-0.3 -3,-0.0 0.781 74.3 41.8 -57.1 -32.5 -16.9 23.4 4.6 104 105 A A T 3 S+ 0 0 93 -3,-0.2 -1,-0.3 7,-0.0 7,-0.0 0.353 79.3 137.9 -99.6 5.4 -18.7 21.2 2.0 105 106 A E < - 0 0 68 -3,-1.6 6,-0.0 1,-0.1 0, 0.0 -0.287 36.7-163.7 -57.6 127.6 -19.8 18.4 4.3 106 107 A K + 0 0 191 1,-0.1 2,-0.9 5,-0.0 -1,-0.1 0.692 69.9 81.8 -87.3 -22.7 -23.4 17.3 3.4 107 108 A K > - 0 0 133 1,-0.2 4,-2.6 2,-0.0 5,-0.2 -0.787 69.3-157.9 -86.3 107.6 -24.1 15.3 6.6 108 109 A Q H > S+ 0 0 172 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.793 88.9 50.1 -56.6 -35.4 -25.1 18.1 9.0 109 110 A D H > S+ 0 0 115 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.897 111.3 47.8 -71.5 -42.7 -24.3 16.1 12.1 110 111 A V H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 112.5 50.8 -61.2 -45.5 -20.9 15.0 10.9 111 112 A K H X S+ 0 0 64 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 111.4 47.6 -59.0 -46.4 -20.2 18.7 10.0 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