==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-09 2WJ6 . COMPND 2 MOLECULE: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NITROGUAJACOLICUS; . AUTHOR R.A.STEINER . 1094 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 748 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 4.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 61 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 415 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 4 0 4 4 4 0 0 4 0 8 0 8 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 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 PARALLEL BRIDGES PER LADDER . 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 T > 0 0 110 0, 0.0 3,-0.9 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0-146.9 25.9 63.3 25.5 2 3 A D G > + 0 0 95 1,-0.2 3,-1.2 2,-0.1 38,-0.0 0.483 360.0 89.1 -77.4 -1.1 26.6 64.1 21.8 3 4 A T G 3 S+ 0 0 117 1,-0.2 -1,-0.2 15,-0.0 15,-0.0 0.563 86.8 51.6 -63.6 -12.4 28.5 60.6 21.6 4 5 A Y G < S+ 0 0 41 -3,-0.9 15,-2.0 2,-0.1 2,-0.4 0.120 80.0 122.6-111.4 12.5 25.1 59.0 20.6 5 6 A L E < +A 18 0A 43 -3,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.684 33.5 168.0 -87.5 128.9 24.1 61.4 17.8 6 7 A H E -A 17 0A 60 11,-3.3 11,-2.2 -2,-0.4 2,-0.4 -0.841 22.4-144.6-128.7 172.2 23.5 59.8 14.3 7 8 A E E +A 16 0A 130 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -1.000 20.6 166.8-138.2 139.0 22.0 60.7 11.0 8 9 A T E -A 15 0A 31 7,-2.6 7,-3.1 -2,-0.4 2,-0.5 -0.988 40.0-101.3-147.8 158.5 20.0 58.7 8.5 9 10 A L E -A 14 0A 103 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.670 32.5-172.7 -78.4 123.2 17.9 59.1 5.4 10 11 A V E > -A 13 0A 0 3,-3.9 3,-2.6 -2,-0.5 2,-0.4 -0.944 61.9 -61.9-122.3 103.8 14.2 58.9 6.3 11 12 A F T 3 S- 0 0 117 -2,-0.6 -2,-0.0 1,-0.3 70,-0.0 -0.403 124.6 -9.0 51.7-107.2 12.2 58.9 3.0 12 13 A D T 3 S+ 0 0 152 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.658 126.2 71.6 -89.5 -16.4 13.1 62.3 1.5 13 14 A N E < -A 10 0A 31 -3,-2.6 -3,-3.9 57,-0.0 2,-0.6 -0.774 69.4-133.4-120.0 141.8 15.0 63.7 4.5 14 15 A K E -A 9 0A 154 -2,-0.3 2,-0.4 -5,-0.3 48,-0.3 -0.812 36.8-174.5 -83.7 120.8 18.2 63.3 6.3 15 16 A L E -A 8 0A 4 -7,-3.1 -7,-2.6 -2,-0.6 2,-0.2 -0.954 17.9-140.0-119.0 140.8 17.2 63.3 10.0 16 17 A S E +A 7 0A 17 47,-0.4 43,-2.2 -2,-0.4 2,-0.3 -0.629 27.0 170.9 -86.2 159.3 19.5 63.2 13.1 17 18 A Y E -AB 6 58A 22 -11,-2.2 -11,-3.3 41,-0.2 2,-0.4 -0.965 31.3-119.5-162.7 152.2 18.6 61.1 16.1 18 19 A I E +AB 5 57A 1 39,-2.5 39,-2.0 -2,-0.3 2,-0.3 -0.805 31.8 167.3 -92.0 137.9 20.1 60.0 19.4 19 20 A D E - B 0 56A 1 -15,-2.0 37,-0.2 -2,-0.4 -2,-0.1 -0.832 23.2-166.0-151.2 113.4 20.5 56.3 20.0 20 21 A N - 0 0 6 35,-1.8 3,-0.1 -2,-0.3 36,-0.1 0.552 31.6-141.0 -74.0 -7.9 22.6 55.0 22.9 21 22 A Q + 0 0 114 34,-0.3 2,-0.3 1,-0.2 33,-0.1 0.798 32.1 179.9 52.0 35.3 22.5 51.6 21.2 22 23 A R - 0 0 71 31,-0.1 2,-1.0 33,-0.1 -1,-0.2 -0.524 26.3-138.3 -70.5 129.2 22.1 50.0 24.6 23 24 A D + 0 0 164 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.792 57.4 113.7 -90.4 98.6 21.9 46.2 24.4 24 25 A T - 0 0 64 -2,-1.0 2,-0.1 0, 0.0 29,-0.1 -0.944 69.7 -63.7-157.6 172.4 19.2 45.4 26.9 25 26 A D S S- 0 0 123 -2,-0.3 29,-0.3 27,-0.1 247,-0.1 -0.420 71.4 -78.5 -65.3 140.7 15.6 44.2 27.5 26 27 A G S S+ 0 0 37 -2,-0.1 2,-0.1 27,-0.1 68,-0.1 -0.068 83.6 80.8 -68.8 175.8 12.8 46.2 26.0 27 28 A P - 0 0 1 0, 0.0 67,-0.3 0, 0.0 27,-0.2 0.544 62.9-139.5 -83.1 157.7 10.9 48.4 25.7 28 29 A A E -c 94 0A 6 65,-2.1 67,-3.2 25,-0.1 2,-0.7 -0.433 18.5-122.4 -67.4 148.0 13.1 51.1 24.2 29 30 A I E -cd 95 55A 0 25,-3.2 27,-2.7 65,-0.2 2,-0.8 -0.898 24.3-163.0 -95.5 115.2 12.5 54.6 25.6 30 31 A L E -cd 96 56A 2 65,-2.1 67,-2.6 -2,-0.7 2,-0.6 -0.881 3.0-161.4-102.7 103.3 11.5 56.9 22.7 31 32 A L E -c 97 0A 0 25,-2.2 67,-0.2 -2,-0.8 11,-0.1 -0.776 8.1-156.8 -91.6 116.0 11.9 60.5 23.8 32 33 A L E -c 98 0A 0 65,-2.9 67,-1.7 -2,-0.6 70,-0.2 -0.837 6.1-140.4-100.3 121.3 9.9 62.8 21.5 33 34 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.445 13.6-127.3 -74.8 154.1 10.9 66.5 21.1 34 35 A G > - 0 0 3 1,-0.2 3,-0.6 4,-0.1 2,-0.3 0.038 53.1 -57.1 -71.2-168.0 8.3 69.3 20.9 35 36 A W T 3 S+ 0 0 20 1,-0.2 -1,-0.2 64,-0.1 3,-0.1 -0.626 115.0 10.4 -79.1 139.5 8.5 71.8 18.0 36 37 A a T 3 S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.812 110.7 80.6 64.6 30.8 11.6 73.9 17.3 37 38 A H < - 0 0 2 -3,-0.6 23,-0.3 3,-0.0 -1,-0.3 -0.926 60.6-151.8-144.1 178.3 13.9 72.2 19.6 38 39 A D > - 0 0 0 -2,-0.3 3,-2.4 137,-0.1 4,-0.2 -0.682 46.6 -56.9-134.6-172.1 16.0 69.0 19.4 39 40 A H G > S+ 0 0 11 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.615 111.7 82.6 -45.5 -24.3 17.6 66.1 21.4 40 41 A R G > S+ 0 0 45 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.816 81.1 65.2 -54.5 -31.8 19.5 68.7 23.5 41 42 A V G < S+ 0 0 0 -3,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.773 103.3 48.0 -58.3 -29.4 16.4 69.1 25.7 42 43 A Y G <> S+ 0 0 0 -3,-1.7 4,-3.4 -4,-0.2 5,-0.3 0.410 74.8 106.7 -97.3 4.0 16.8 65.5 26.8 43 44 A K H <> S+ 0 0 66 -3,-1.2 4,-1.4 -4,-0.3 -1,-0.2 0.838 85.9 43.3 -55.6 -36.7 20.5 65.4 27.7 44 45 A Y H > S+ 0 0 47 -3,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.864 115.7 48.4 -77.7 -32.0 19.8 65.3 31.5 45 46 A L H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 3,-0.3 0.911 106.9 55.3 -74.9 -40.7 17.0 62.7 31.1 46 47 A I H X S+ 0 0 6 -4,-3.4 4,-2.5 1,-0.2 3,-0.3 0.927 105.6 55.1 -54.5 -43.5 19.2 60.5 28.8 47 48 A Q H < S+ 0 0 128 -4,-1.4 4,-0.4 -5,-0.3 -1,-0.2 0.859 106.9 49.4 -56.2 -41.3 21.7 60.6 31.7 48 49 A E H < S+ 0 0 67 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.845 124.0 30.2 -63.3 -34.9 19.1 59.3 34.1 49 50 A L H >X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.3 3,-1.4 0.635 91.8 97.5-102.0 -15.5 18.1 56.4 31.7 50 51 A D T 3< S+ 0 0 33 -4,-2.5 3,-0.1 1,-0.3 -3,-0.1 0.791 82.8 46.2 -52.3 -48.2 21.3 55.6 29.9 51 52 A A T 34 S+ 0 0 79 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.693 121.5 35.2 -70.1 -20.8 22.7 52.6 31.8 52 53 A D T <4 S+ 0 0 88 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.574 114.0 38.7-114.8 -16.0 19.3 50.7 32.0 53 54 A F S < S- 0 0 6 -4,-1.5 2,-0.5 -3,-0.1 -31,-0.1 -0.939 73.8-111.9-138.2 156.2 17.5 51.4 28.7 54 55 A R - 0 0 57 -2,-0.3 -25,-3.2 -29,-0.3 2,-0.5 -0.821 43.2-162.5 -81.4 128.7 17.9 51.7 25.1 55 56 A V E - d 0 29A 0 -2,-0.5 -35,-1.8 -27,-0.2 2,-0.4 -0.976 12.4-178.4-128.3 123.9 17.1 55.4 24.5 56 57 A I E -Bd 19 30A 0 -27,-2.7 -25,-2.2 -2,-0.5 -37,-0.2 -0.981 6.7-174.9-125.3 133.0 16.2 56.9 21.1 57 58 A V E -B 18 0A 0 -39,-2.0 -39,-2.5 -2,-0.4 2,-0.3 -0.941 11.2-159.3-128.6 106.5 15.4 60.6 20.3 58 59 A P E -B 17 0A 1 0, 0.0 2,-0.4 0, 0.0 -41,-0.2 -0.648 8.4-144.4 -81.6 140.6 14.4 61.4 16.8 59 60 A N - 0 0 1 -43,-2.2 3,-0.1 -2,-0.3 -21,-0.1 -0.915 23.4-119.8 -99.2 138.5 14.7 65.0 15.5 60 61 A W > - 0 0 0 -2,-0.4 3,-2.7 -23,-0.3 -44,-0.2 -0.075 45.2 -65.5 -74.0 168.6 12.0 66.3 13.2 61 62 A R T 3 S+ 0 0 42 1,-0.3 -1,-0.2 -46,-0.1 9,-0.1 -0.318 126.7 10.7 -53.3 129.9 12.4 67.5 9.6 62 63 A G T 3 S+ 0 0 15 -48,-0.3 6,-1.6 1,-0.3 -1,-0.3 0.452 108.6 113.9 74.1 5.2 14.5 70.7 9.6 63 64 A H < + 0 0 14 -3,-2.7 -47,-0.4 4,-0.2 2,-0.3 -0.712 38.3 67.4-103.9 156.1 15.4 70.2 13.3 64 65 A G S S- 0 0 2 -2,-0.3 -26,-0.0 1,-0.1 -4,-0.0 -0.845 98.9 -37.9 136.0-167.3 18.8 69.4 14.9 65 66 A L S S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.3 113,-0.1 0.820 138.5 38.6 -60.0 -32.2 22.1 71.0 15.6 66 67 A S S S- 0 0 106 -3,-0.2 -1,-0.3 2,-0.0 -4,-0.1 -0.768 87.9-157.6-117.7 84.1 21.8 72.6 12.1 67 68 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.210 15.7-176.3 -59.5 150.7 18.2 73.6 11.6 68 69 A S - 0 0 67 -6,-1.6 2,-0.2 112,-0.1 112,-0.0 -0.974 30.6 -97.9-144.7 161.2 17.1 74.0 8.0 69 70 A E + 0 0 162 -2,-0.3 -7,-0.1 113,-0.0 -6,-0.0 -0.576 47.5 167.1 -74.8 140.2 14.1 75.1 6.0 70 71 A V - 0 0 22 -2,-0.2 3,-0.1 -9,-0.1 2,-0.1 -0.913 39.5 -78.1-143.8 170.3 12.0 72.2 4.7 71 72 A P - 0 0 103 0, 0.0 -10,-0.0 0, 0.0 0, 0.0 -0.374 65.6 -73.6 -72.9 157.7 8.5 71.7 3.1 72 73 A D + 0 0 105 -2,-0.1 2,-0.3 1,-0.0 110,-0.0 -0.164 61.6 160.0 -54.3 133.4 5.4 71.9 5.2 73 74 A F - 0 0 9 -3,-0.1 2,-0.2 -12,-0.1 117,-0.1 -0.971 18.0-159.2-151.2 161.8 4.7 68.9 7.4 74 75 A G > - 0 0 8 -2,-0.3 4,-1.7 116,-0.0 3,-0.2 -0.466 47.4 -70.1-131.5-165.8 2.6 68.1 10.5 75 76 A Y H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.850 125.4 63.0 -65.8 -32.9 2.3 65.6 13.4 76 77 A Q H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.943 106.5 44.1 -51.6 -50.6 1.2 62.9 10.9 77 78 A E H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.862 108.9 57.8 -65.1 -36.8 4.6 63.1 9.1 78 79 A Q H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.904 106.5 49.8 -57.7 -41.7 6.4 63.2 12.5 79 80 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.914 110.4 48.1 -63.8 -43.3 4.8 59.9 13.3 80 81 A K H X S+ 0 0 126 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.925 113.1 49.5 -67.8 -39.3 5.8 58.3 10.0 81 82 A D H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 109.2 51.2 -57.7 -50.6 9.4 59.6 10.6 82 83 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.890 113.1 45.0 -60.2 -43.3 9.5 58.2 14.1 83 84 A L H X S+ 0 0 25 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.855 108.7 55.6 -68.8 -39.0 8.4 54.8 13.1 84 85 A E H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.900 109.0 48.7 -62.0 -38.1 10.8 54.7 10.0 85 86 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.957 113.0 47.4 -64.0 -47.7 13.7 55.4 12.4 86 87 A L H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.8 0.866 112.2 49.7 -63.1 -38.6 12.5 52.6 14.7 87 88 A D H ><5S+ 0 0 89 -4,-3.0 3,-1.0 2,-0.2 -1,-0.2 0.953 111.3 48.7 -61.5 -49.2 12.1 50.2 11.8 88 89 A Q H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.851 113.2 48.8 -57.1 -35.9 15.6 51.0 10.5 89 90 A L H 3<5S- 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.585 111.0-119.9 -84.8 -11.6 16.9 50.5 14.1 90 91 A G T <<5 + 0 0 63 -3,-1.0 2,-0.4 -4,-0.8 -3,-0.2 0.681 57.7 155.2 81.6 19.2 15.1 47.1 14.6 91 92 A V < + 0 0 10 -5,-2.2 -1,-0.3 -6,-0.2 3,-0.1 -0.660 14.2 169.4 -83.3 128.4 13.2 48.4 17.6 92 93 A E + 0 0 151 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.823 61.6 35.9 -97.4 -76.7 9.9 46.5 18.2 93 94 A T S S+ 0 0 44 25,-0.1 -65,-2.1 2,-0.0 2,-0.3 -0.607 71.7 172.1 -87.8 132.1 8.4 47.5 21.6 94 95 A F E -c 28 0A 0 23,-2.6 26,-0.3 -2,-0.3 -65,-0.2 -0.995 32.0-143.6-142.4 146.9 8.8 51.1 22.7 95 96 A L E -c 29 0A 0 -67,-3.2 -65,-2.1 -2,-0.3 2,-0.3 -0.956 27.1-148.4-103.7 107.0 7.6 53.4 25.5 96 97 A P E -c 30 0A 0 0, 0.0 26,-2.1 0, 0.0 2,-0.4 -0.586 14.3-173.9 -75.9 139.0 7.0 57.0 24.0 97 98 A V E -ce 31 122A 0 -67,-2.6 -65,-2.9 -2,-0.3 2,-0.3 -0.978 12.8-161.7-133.8 117.3 7.6 60.0 26.3 98 99 A S E -ce 32 123A 0 24,-2.2 26,-2.0 -2,-0.4 2,-0.6 -0.707 18.7-134.5-107.4 147.5 6.7 63.4 24.8 99 100 A H E > - e 0 124A 8 -67,-1.7 3,-3.0 -2,-0.3 4,-0.3 -0.915 63.3 -67.5 -90.2 119.6 7.5 67.1 25.5 100 101 A S G > S+ 0 0 5 24,-2.2 3,-2.6 -2,-0.6 26,-0.1 -0.011 127.5 15.0 41.1-116.9 4.5 69.2 25.4 101 102 A H G > S+ 0 0 14 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.529 107.1 82.8 -78.7 0.7 3.1 69.4 21.9 102 103 A G G X> S+ 0 0 0 -3,-3.0 4,-2.1 1,-0.2 3,-0.5 0.652 74.7 85.2 -56.3 -18.4 5.2 66.5 20.9 103 104 A G H <> S+ 0 0 0 -3,-2.6 4,-2.6 -4,-0.3 5,-0.3 0.765 76.6 60.5 -55.9 -30.6 2.1 64.9 22.5 104 105 A W H <> S+ 0 0 0 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.915 108.6 44.5 -67.9 -38.0 0.2 65.1 19.2 105 106 A V H <> S+ 0 0 0 -3,-0.5 4,-2.4 -4,-0.5 -2,-0.2 0.923 113.0 51.7 -63.7 -47.7 3.0 62.8 17.7 106 107 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 111.9 44.2 -57.6 -51.6 2.9 60.6 20.8 107 108 A V H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.884 115.8 46.8 -69.1 -36.6 -0.9 60.0 20.8 108 109 A E H X S+ 0 0 42 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.859 111.4 53.6 -69.7 -33.9 -1.0 59.4 17.0 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.906 105.0 53.9 -62.7 -43.7 2.0 57.1 17.3 110 111 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.898 111.6 45.6 -57.5 -42.2 0.1 55.1 20.0 111 112 A E H < S+ 0 0 61 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.922 118.4 41.8 -64.7 -44.6 -2.9 54.7 17.5 112 113 A Q H < S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.873 119.2 40.8 -77.9 -44.7 -0.6 53.8 14.6 113 114 A A H X S- 0 0 22 -4,-3.3 4,-0.6 -5,-0.2 3,-0.2 0.795 104.0-144.0 -74.5 -32.2 1.8 51.4 16.3 114 115 A G H X - 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