==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 27-MAR-12 4EDZ . COMPND 2 MOLECULE: HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DAY,A.THORARENSEN,J.I.TRUJILLO . 792 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 74.0 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 . 8 1.0 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 . 40 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 359 45.3 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 3 0 1 0 10 2 1 6 3 2 0 4 0 1 2 1 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 98 0, 0.0 2,-0.7 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 145.9 6.9 20.4 -17.8 2 3 A N - 0 0 119 26,-0.1 54,-1.9 2,-0.0 2,-0.4 -0.792 360.0-168.3 -80.8 114.0 9.7 23.0 -18.0 3 4 A Y E -A 55 0A 24 -2,-0.7 26,-2.8 24,-0.4 2,-0.4 -0.900 14.7-177.3-108.1 134.8 12.7 21.1 -19.0 4 5 A K E -Ab 54 29A 60 50,-1.9 50,-2.8 -2,-0.4 2,-0.5 -0.940 9.0-161.8-132.8 112.5 16.3 22.4 -19.0 5 6 A L E -Ab 53 30A 0 24,-2.8 26,-2.2 -2,-0.4 2,-0.5 -0.819 6.1-162.9 -93.3 123.2 19.1 20.2 -20.3 6 7 A T E +Ab 52 31A 5 46,-2.6 46,-1.4 -2,-0.5 2,-0.3 -0.943 31.0 121.5-111.2 122.6 22.6 21.2 -19.2 7 8 A Y E - b 0 32A 12 24,-2.2 26,-2.6 -2,-0.5 2,-0.1 -0.915 61.4 -71.9-155.5 178.3 25.6 19.8 -21.0 8 9 A F E - b 0 33A 50 -2,-0.3 2,-2.1 24,-0.2 26,-0.1 -0.353 60.5 -90.8 -68.5 164.0 28.7 20.8 -23.0 9 10 A N S S+ 0 0 88 24,-0.9 2,-0.3 23,-0.1 -1,-0.1 -0.552 99.6 79.8 -78.3 75.4 28.3 22.2 -26.5 10 11 A M S S- 0 0 53 -2,-2.1 4,-0.2 1,-0.2 185,-0.0 -0.955 87.8-108.7-167.3 167.1 28.6 18.8 -28.2 11 12 A R S >> S+ 0 0 20 187,-2.8 3,-1.3 -2,-0.3 4,-1.2 0.995 73.5 123.2 -67.6 -66.1 26.5 15.7 -28.9 12 13 A G G >4 S- 0 0 24 1,-0.2 3,-0.7 2,-0.2 4,-0.3 -0.021 87.9 -22.3 45.4-139.3 28.3 13.5 -26.3 13 14 A R G 34 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.501 135.1 62.5 -82.3 -6.9 26.2 11.9 -23.6 14 15 A A G X> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.2 3,-0.7 0.658 80.7 82.9 -86.9 -19.1 23.4 14.4 -23.9 15 16 A E H S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.912 108.4 47.8 -61.3 -39.3 20.3 10.6 -26.7 17 18 A I H <> S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.3 -2,-0.2 0.919 110.2 52.2 -66.6 -43.4 18.2 12.9 -24.5 18 19 A R H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.844 108.1 51.2 -60.8 -37.7 18.1 15.5 -27.4 19 20 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.884 109.9 50.0 -65.5 -40.3 16.9 12.8 -29.8 20 21 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.931 110.3 48.8 -67.7 -44.9 14.1 11.8 -27.5 21 22 A F H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.4 0.910 113.8 47.9 -58.0 -44.5 12.9 15.4 -27.0 22 23 A A H ><5S+ 0 0 26 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.935 111.7 48.5 -62.7 -48.2 12.9 15.9 -30.8 23 24 A Y H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.904 116.1 42.9 -61.3 -42.4 11.0 12.6 -31.5 24 25 A L T 3<5S- 0 0 44 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.433 108.7-125.8 -83.9 0.6 8.3 13.4 -28.9 25 26 A D T < 5 + 0 0 60 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.928 53.6 158.0 54.7 49.6 8.1 17.0 -30.0 26 27 A I < - 0 0 57 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.910 40.3-124.7-109.4 132.8 8.8 18.3 -26.5 27 28 A Q + 0 0 51 -2,-0.4 -24,-0.4 -26,-0.1 2,-0.3 -0.529 39.2 160.4 -74.8 136.1 10.1 21.8 -25.8 28 29 A Y - 0 0 44 -2,-0.2 2,-0.7 649,-0.1 -24,-0.2 -0.989 45.2-108.9-151.0 154.7 13.3 22.1 -23.7 29 30 A E E -b 4 0A 98 -26,-2.8 -24,-2.8 -2,-0.3 2,-1.4 -0.794 28.0-153.6 -81.9 115.4 16.0 24.6 -22.9 30 31 A D E -b 5 0A 45 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.1 -0.668 17.9-169.3 -91.3 79.6 19.2 23.1 -24.6 31 32 A H E -b 6 0A 58 -26,-2.2 -24,-2.2 -2,-1.4 2,-0.5 -0.632 4.5-171.7 -80.7 116.3 21.7 24.7 -22.2 32 33 A R E -b 7 0A 50 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.937 6.8-157.6-114.2 118.1 25.3 24.4 -23.6 33 34 A I E -b 8 0A 10 -26,-2.6 -24,-0.9 -2,-0.5 2,-0.1 -0.668 12.0-126.2 -99.9 148.6 28.1 25.4 -21.3 34 35 A E - 0 0 142 -2,-0.3 4,-0.3 -26,-0.1 3,-0.3 -0.398 27.1-114.2 -78.5 163.1 31.7 26.4 -22.1 35 36 A Q S > S+ 0 0 120 1,-0.2 3,-1.9 2,-0.2 -1,-0.1 0.914 114.2 60.2 -64.2 -43.3 34.7 24.8 -20.5 36 37 A A T 3 S+ 0 0 79 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.782 104.8 49.3 -57.6 -30.1 35.7 28.0 -18.7 37 38 A D T 3> S+ 0 0 79 -3,-0.3 4,-1.6 1,-0.2 3,-0.4 0.547 87.3 93.4 -83.0 -7.1 32.3 28.1 -16.9 38 39 A W H <> S+ 0 0 38 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.833 76.7 55.4 -64.8 -41.0 32.6 24.4 -15.8 39 40 A P H > S+ 0 0 82 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.924 109.9 47.5 -53.2 -45.8 34.2 24.9 -12.3 40 41 A E H 4 S+ 0 0 130 -3,-0.4 4,-0.3 -4,-0.3 -2,-0.2 0.871 117.1 40.7 -67.5 -40.8 31.4 27.2 -11.2 41 42 A I H >X S+ 0 0 37 -4,-1.6 3,-1.5 1,-0.2 4,-0.8 0.840 104.1 67.9 -74.7 -34.9 28.5 25.0 -12.4 42 43 A K H >< S+ 0 0 80 -4,-2.3 3,-1.4 1,-0.3 6,-0.3 0.894 93.2 57.1 -56.4 -46.5 30.1 21.7 -11.3 43 44 A S T 3< S+ 0 0 105 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.688 105.2 54.1 -59.1 -20.5 29.8 22.4 -7.5 44 45 A T T <4 S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.701 88.9 98.3 -83.6 -22.9 26.0 22.9 -8.0 45 46 A L S << S- 0 0 11 -3,-1.4 3,-0.1 -4,-0.8 5,-0.1 -0.254 79.9-121.4 -73.6 154.9 25.5 19.4 -9.7 46 47 A P S S+ 0 0 36 0, 0.0 286,-0.2 0, 0.0 -1,-0.1 0.914 108.3 6.8 -63.3 -44.8 24.2 16.4 -7.7 47 48 A F S S- 0 0 10 2,-0.3 3,-0.1 285,-0.0 281,-0.1 0.048 109.1-101.4-126.8 23.6 27.2 14.1 -8.4 48 49 A G S S+ 0 0 11 -6,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.608 88.2 107.8 71.6 15.1 29.5 16.7 -10.2 49 50 A K - 0 0 130 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.870 57.8-104.6-127.8 155.3 28.7 15.3 -13.6 50 51 A I S S+ 0 0 19 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.909 76.5 61.0-123.3 155.1 26.7 16.4 -16.7 51 52 A P + 0 0 5 0, 0.0 11,-1.0 0, 0.0 2,-0.3 0.394 61.7 168.8 -78.3 156.9 24.3 16.0 -18.4 52 53 A I E -AC 6 61A 9 -46,-1.4 -46,-2.6 9,-0.2 2,-0.5 -0.946 22.1-148.6-123.5 154.6 21.6 17.0 -15.9 53 54 A L E -AC 5 60A 0 7,-2.5 7,-3.0 -2,-0.3 2,-0.4 -0.983 6.7-152.6-123.8 119.6 17.9 17.6 -16.6 54 55 A E E -AC 4 59A 62 -50,-2.8 -50,-1.9 -2,-0.5 2,-0.4 -0.773 12.8-173.2 -89.2 135.0 16.0 20.1 -14.6 55 56 A V E > -AC 3 58A 10 3,-3.2 3,-2.1 -2,-0.4 -52,-0.2 -0.954 67.3 -34.7-134.4 109.0 12.2 19.4 -14.4 56 57 A D T 3 S- 0 0 107 -54,-1.9 3,-0.1 -2,-0.4 -53,-0.1 0.863 127.7 -40.0 42.6 49.4 9.9 22.0 -12.7 57 58 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 -55,-0.2 -1,-0.3 0.422 119.2 106.1 87.0 -0.3 12.6 22.9 -10.1 58 59 A L E < -C 55 0A 102 -3,-2.1 -3,-3.2 -5,-0.0 2,-0.5 -0.885 62.6-133.6-111.7 144.8 14.0 19.3 -9.5 59 60 A T E -C 54 0A 57 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.862 18.6-174.2-105.9 125.3 17.3 18.0 -10.9 60 61 A L E -C 53 0A 2 -7,-3.0 -7,-2.5 -2,-0.5 2,-0.3 -0.831 7.7-171.8-105.8 152.7 17.8 14.7 -12.6 61 62 A H E +C 52 0A 10 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.885 42.4 68.0-136.7 171.6 21.2 13.2 -13.6 62 63 A Q > - 0 0 30 -11,-1.0 4,-2.5 -2,-0.3 5,-0.2 0.812 65.4-129.1 78.9 108.7 22.5 10.3 -15.6 63 64 A S H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.832 104.6 40.9 -57.0 -41.6 21.8 10.4 -19.3 64 65 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.845 112.5 53.8 -81.6 -35.5 20.4 6.9 -19.7 65 66 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.929 115.4 42.8 -55.5 -45.7 18.3 7.0 -16.5 66 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.939 112.5 51.9 -67.3 -49.3 16.9 10.3 -17.9 67 68 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.2 -2,-0.2 0.914 111.6 47.9 -51.9 -46.6 16.5 8.8 -21.4 68 69 A R H X S+ 0 0 9 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.905 110.5 51.5 -62.6 -44.6 14.6 5.8 -19.9 69 70 A Y H < S+ 0 0 43 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.887 110.1 49.0 -57.5 -43.4 12.4 8.1 -17.8 70 71 A L H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 112.2 47.7 -70.4 -28.1 11.4 10.2 -20.9 71 72 A T H >< S+ 0 0 2 -4,-1.4 3,-2.0 -5,-0.2 6,-0.5 0.496 79.3 122.3 -95.0 -6.4 10.5 7.2 -23.1 72 73 A K T 3< S+ 0 0 39 -4,-0.8 3,-0.1 -3,-0.5 4,-0.1 -0.343 86.3 7.6 -54.5 132.6 8.4 5.4 -20.5 73 74 A N T 3 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.653 110.4 107.4 64.9 18.5 4.9 4.9 -21.9 74 75 A T S X S- 0 0 38 -3,-2.0 3,-1.2 4,-0.1 -1,-0.2 -0.721 86.9-104.1-114.1 171.4 6.0 6.1 -25.4 75 76 A D T 3 S+ 0 0 74 -2,-0.2 69,-0.1 1,-0.2 -4,-0.1 0.591 115.1 69.6 -71.9 -11.0 6.5 4.1 -28.6 76 77 A L T 3 S+ 0 0 0 -5,-0.2 71,-2.2 70,-0.1 72,-0.3 0.618 85.7 83.0 -80.1 -15.7 10.3 4.4 -28.1 77 78 A A S < S- 0 0 11 -3,-1.2 7,-0.1 -6,-0.5 -5,-0.0 -0.528 101.5 -85.4 -77.6 156.0 10.1 2.1 -25.1 78 79 A G - 0 0 6 -2,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.231 34.5-124.3 -56.0 153.1 10.1 -1.7 -25.7 79 80 A N S S+ 0 0 87 65,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.759 90.9 25.4 -77.2 -24.3 6.6 -3.1 -26.4 80 81 A T S > S- 0 0 72 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.795 90.3-100.8-130.1 172.1 6.8 -5.6 -23.6 81 82 A E H > S+ 0 0 84 -2,-0.2 4,-1.2 1,-0.2 -3,-0.1 0.894 122.7 47.0 -64.0 -39.4 8.7 -5.9 -20.3 82 83 A M H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 109.1 53.8 -72.2 -33.8 11.2 -8.3 -21.8 83 84 A E H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 105.5 54.8 -62.9 -40.7 11.8 -6.1 -24.8 84 85 A Q H X S+ 0 0 51 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.822 106.2 51.9 -59.1 -35.6 12.4 -3.3 -22.4 85 86 A C H X S+ 0 0 3 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.908 109.5 49.0 -66.3 -43.1 15.1 -5.5 -20.8 86 87 A H H X S+ 0 0 52 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.881 110.9 50.9 -61.6 -40.6 16.6 -6.1 -24.4 87 88 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.956 112.9 44.6 -60.7 -52.3 16.6 -2.3 -25.0 88 89 A D H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.895 113.0 52.6 -57.3 -43.8 18.4 -1.6 -21.6 89 90 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.896 111.6 44.2 -62.1 -44.2 20.8 -4.4 -22.3 90 91 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.901 113.7 51.6 -68.4 -41.0 21.8 -3.1 -25.8 91 92 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.939 111.2 46.7 -60.1 -48.7 22.0 0.5 -24.4 92 93 A D H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.845 110.1 53.5 -65.4 -35.4 24.3 -0.5 -21.6 93 94 A T H X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.906 113.2 44.0 -63.6 -44.4 26.5 -2.6 -24.0 94 95 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.963 115.8 46.8 -61.9 -51.9 26.9 0.4 -26.2 95 96 A D H X S+ 0 0 15 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.860 108.3 57.0 -61.0 -39.5 27.5 2.8 -23.3 96 97 A D H X S+ 0 0 48 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.943 109.9 43.8 -54.6 -52.8 30.0 0.4 -21.7 97 98 A F H >X S+ 0 0 22 -4,-1.7 3,-1.5 1,-0.2 4,-0.5 0.953 114.2 48.8 -60.6 -50.3 32.2 0.4 -24.8 98 99 A M H >< S+ 0 0 23 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.861 106.5 59.1 -58.4 -35.4 32.0 4.2 -25.3 99 100 A S H 3< S+ 0 0 47 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.667 92.7 67.5 -68.4 -20.1 32.9 4.6 -21.6 100 101 A C H << S+ 0 0 74 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.713 80.9 93.9 -71.0 -23.0 36.2 2.8 -22.1 101 102 A F S << S- 0 0 7 -3,-1.2 2,-2.0 -4,-0.5 3,-0.2 -0.545 81.8-129.5 -73.5 133.1 37.4 5.6 -24.3 102 103 A P > + 0 0 22 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.502 41.0 164.4 -82.7 75.7 39.5 8.2 -22.4 103 104 A W T 3 S+ 0 0 72 -2,-2.0 -4,-0.0 1,-0.3 -3,-0.0 0.779 73.2 44.5 -65.3 -29.3 37.5 11.2 -23.7 104 105 A A T 3 S+ 0 0 80 -3,-0.2 -1,-0.3 7,-0.0 2,-0.2 0.268 78.8 134.6 -97.9 7.9 38.8 13.6 -21.0 105 106 A E < - 0 0 58 -3,-1.3 6,-0.0 1,-0.1 0, 0.0 -0.435 40.2-162.7 -64.7 126.1 42.5 12.5 -21.2 106 107 A K S S+ 0 0 188 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.488 74.0 79.5 -89.3 -7.6 44.8 15.6 -21.3 107 108 A K > - 0 0 130 1,-0.1 4,-2.7 2,-0.0 3,-0.4 -0.883 67.4-164.0-102.1 100.3 47.8 13.7 -22.6 108 109 A Q H > S+ 0 0 101 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.735 84.7 54.5 -59.9 -30.2 47.0 13.4 -26.3 109 110 A D H > S+ 0 0 116 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.909 112.3 43.8 -71.0 -40.6 49.6 10.6 -27.0 110 111 A V H > S+ 0 0 47 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.938 115.3 49.6 -66.4 -47.2 48.1 8.4 -24.2 111 112 A K H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.939 112.6 46.3 -55.5 -52.0 44.6 9.3 -25.5 112 113 A E H X S+ 0 0 114 -4,-2.6 4,-2.4 1,-0.2 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54.3 -44.3 794 197 D T - 0 0 37 -2,-0.7 -186,-0.1 2,-0.1 -3,-0.0 -0.877 49.5-115.1-128.2 161.2 13.7 54.7 -46.3 795 198 D K 0 0 142 -2,-0.3 -1,-0.1 -186,-0.0 -36,-0.1 0.932 360.0 360.0 -59.6 -46.8 10.2 55.9 -45.3 796 199 D L 0 0 41 -3,-0.1 -187,-2.5 -37,-0.0 -2,-0.1 -0.568 360.0 360.0-123.3 360.0 8.6 52.4 -45.9