==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAY-03 1OHO . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.-S.KIM,M.BYUN,B.-H.OH . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 28.5 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.8 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 1 0 1 0 0 0 0 0 1 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 1 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 N 0 0 112 0, 0.0 3,-0.1 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0-172.7 14.6 60.8 54.6 2 3 A L - 0 0 86 1,-0.1 104,-0.2 105,-0.1 75,-0.1 -0.444 360.0-110.9 -60.4 115.7 14.1 57.8 52.4 3 4 A P - 0 0 5 0, 0.0 74,-0.5 0, 0.0 -1,-0.1 -0.136 26.5-125.9 -52.8 140.6 10.3 57.6 52.1 4 5 A T > - 0 0 73 72,-0.1 4,-2.4 73,-0.1 5,-0.2 -0.246 35.0 -94.6 -76.7 173.4 8.5 54.7 53.8 5 6 A A H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 128.9 49.2 -58.3 -42.2 6.2 52.4 51.8 6 7 A Q H > S+ 0 0 161 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 111.2 49.5 -65.0 -38.0 3.2 54.5 52.9 7 8 A E H > S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.856 106.9 54.4 -70.0 -36.0 5.0 57.7 51.9 8 9 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.903 106.2 53.5 -64.0 -39.6 5.9 56.3 48.5 9 10 A Q H X S+ 0 0 92 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.894 111.9 45.2 -61.5 -39.8 2.2 55.6 48.0 10 11 A G H X S+ 0 0 44 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.915 113.0 48.8 -70.5 -44.0 1.4 59.2 48.8 11 12 A L H X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.912 112.7 47.1 -62.7 -44.6 4.1 60.7 46.7 12 13 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.864 111.5 51.0 -68.2 -34.4 3.3 58.7 43.6 13 14 A A H X S+ 0 0 32 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.898 109.8 50.6 -68.8 -38.6 -0.4 59.5 43.9 14 15 A R H X S+ 0 0 116 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 104.1 59.5 -64.4 -39.7 0.4 63.2 44.2 15 16 A F H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.917 105.3 47.5 -53.6 -48.6 2.5 62.9 41.0 16 17 A I H X S+ 0 0 7 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.880 109.6 53.6 -62.9 -38.6 -0.5 61.7 39.0 17 18 A E H X S+ 0 0 130 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.904 109.3 48.8 -63.2 -40.5 -2.7 64.5 40.3 18 19 A L H X>S+ 0 0 20 -4,-2.4 4,-1.8 2,-0.2 5,-1.6 0.889 111.9 48.6 -66.4 -39.2 -0.1 67.1 39.3 19 20 A V H <5S+ 0 0 13 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.912 110.1 53.5 -65.6 -41.5 0.1 65.5 35.8 20 21 A D H <5S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 115.0 37.8 -60.4 -47.6 -3.7 65.5 35.6 21 22 A V H <5S- 0 0 107 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.763 108.7-128.5 -76.5 -23.8 -4.0 69.3 36.4 22 23 A G T <5 + 0 0 31 -4,-1.8 2,-1.5 -5,-0.2 -3,-0.2 0.845 44.7 163.8 82.5 34.8 -0.9 70.0 34.4 23 24 A D >< - 0 0 77 -5,-1.6 4,-2.1 1,-0.2 3,-0.2 -0.674 12.7-176.7 -86.8 87.7 1.2 72.1 36.9 24 25 A I H > S+ 0 0 19 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.882 78.0 50.4 -53.2 -46.1 4.5 71.8 35.1 25 26 A E H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 111.5 48.1 -62.9 -38.9 6.5 73.6 37.7 26 27 A A H > S+ 0 0 15 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.853 111.3 51.7 -70.0 -34.3 5.1 71.5 40.6 27 28 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.4 0.942 109.3 49.1 -66.1 -48.1 5.9 68.3 38.6 28 29 A V H >< S+ 0 0 18 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.862 104.1 60.3 -60.6 -37.3 9.5 69.3 37.9 29 30 A Q H 3< S+ 0 0 133 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.676 94.3 64.4 -66.4 -18.0 10.0 70.1 41.6 30 31 A M T << S+ 0 0 11 -3,-1.2 80,-2.9 -4,-0.6 -1,-0.3 0.667 92.6 80.0 -78.2 -16.6 9.2 66.5 42.5 31 32 A Y E < S-a 110 0A 0 -3,-1.5 80,-0.2 -4,-0.4 18,-0.1 -0.638 89.7-109.8 -91.9 149.3 12.3 65.4 40.6 32 33 A A E > - 0 0 2 78,-2.7 3,-1.8 -2,-0.2 16,-0.1 -0.384 38.1-108.3 -68.2 156.7 15.8 65.5 42.0 33 34 A D E 3 S+ 0 0 108 1,-0.3 16,-1.8 15,-0.1 17,-0.2 0.815 120.0 34.5 -59.8 -29.7 17.9 68.1 40.2 34 35 A D E 3 S+ 0 0 81 14,-0.2 -1,-0.3 15,-0.1 -2,-0.1 0.016 89.0 147.8-113.0 26.2 19.9 65.4 38.3 35 36 A A E < - 0 0 0 -3,-1.8 13,-2.6 12,-0.1 2,-0.4 -0.145 38.7-137.6 -60.7 156.7 17.1 62.9 37.9 36 37 A T E -aB 112 47A 41 75,-1.9 77,-1.8 11,-0.2 2,-0.4 -0.937 13.7-163.1-118.7 141.4 16.9 60.6 34.9 37 38 A V E -aB 113 46A 1 9,-2.4 9,-2.6 -2,-0.4 2,-0.6 -0.990 7.4-166.3-128.2 130.6 13.7 59.7 33.0 38 39 A E E -a 114 0A 41 75,-2.7 77,-2.9 -2,-0.4 3,-0.3 -0.932 16.0-167.6-117.4 104.7 13.3 56.8 30.6 39 40 A N S S+ 0 0 48 -2,-0.6 2,-0.1 1,-0.4 77,-0.1 -0.889 79.5 12.3-144.2 108.7 10.1 57.3 28.6 40 41 A P S > S- 0 0 14 0, 0.0 3,-2.2 0, 0.0 -1,-0.4 0.605 104.3-112.5 -81.8 161.6 9.2 54.9 27.1 41 42 A F T 3 S+ 0 0 91 74,-3.3 76,-0.2 -3,-0.3 -2,-0.1 -0.330 104.7 42.7 -55.2 131.1 11.5 52.4 28.8 42 43 A G T 3 S+ 0 0 70 1,-0.5 -1,-0.3 74,-0.0 74,-0.0 0.024 94.1 94.2 118.0 -26.9 14.0 51.2 26.1 43 44 A Q S < S- 0 0 113 -3,-2.2 -1,-0.5 1,-0.1 -4,-0.0 -0.614 92.8 -75.7 -95.7 158.5 14.7 54.7 24.6 44 45 A P - 0 0 111 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.237 55.9-116.7 -53.9 134.5 17.6 56.9 25.6 45 46 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.336 15.8-132.6 -74.1 153.2 17.0 58.6 29.0 46 47 A I E -B 37 0A 42 -9,-2.6 -9,-2.4 -2,-0.1 2,-0.4 -0.786 23.4-150.5-102.0 150.5 16.7 62.3 29.6 47 48 A H E > +B 36 0A 96 -2,-0.3 4,-0.5 -11,-0.2 -11,-0.2 -0.977 43.7 13.9-130.7 137.7 18.7 63.9 32.4 48 49 A G H > S- 0 0 10 -13,-2.6 4,-2.3 -2,-0.4 -14,-0.2 0.231 81.8 -81.8 88.1 151.8 18.2 66.9 34.7 49 50 A R H > S+ 0 0 85 -16,-1.8 4,-2.8 1,-0.2 5,-0.2 0.820 123.4 58.2 -59.4 -34.0 15.4 69.2 35.5 50 51 A E H > S+ 0 0 176 -17,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 111.8 40.0 -62.5 -49.1 15.9 71.4 32.4 51 52 A Q H X S+ 0 0 98 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.872 116.2 51.6 -65.9 -38.3 15.4 68.4 30.1 52 53 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 109.6 49.1 -65.7 -42.5 12.6 67.0 32.2 53 54 A A H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.917 110.3 51.2 -63.1 -43.0 10.8 70.4 32.2 54 55 A A H X S+ 0 0 63 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.898 109.6 51.9 -60.0 -40.9 11.1 70.6 28.4 55 56 A F H X S+ 0 0 75 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.938 112.5 43.3 -61.8 -49.8 9.7 67.1 28.1 56 57 A Y H X S+ 0 0 17 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.852 110.8 54.0 -68.3 -34.9 6.6 67.9 30.2 57 58 A R H < S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.5 43.9 -65.6 -37.6 5.9 71.3 28.6 58 59 A Q H < S+ 0 0 172 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.882 119.7 42.9 -72.4 -39.2 5.9 69.6 25.2 59 60 A G H < 0 0 49 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.863 360.0 360.0 -77.5 -38.9 3.9 66.7 26.4 60 61 A L < 0 0 60 -4,-3.1 -1,-0.1 -5,-0.1 -36,-0.1 -0.804 360.0 360.0 -95.7 360.0 1.2 68.4 28.6 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 65 A K 0 0 220 0, 0.0 2,-0.4 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 82.1 -5.6 69.1 27.4 63 66 A V - 0 0 29 -43,-0.2 2,-0.4 -44,-0.1 24,-0.2 -0.930 360.0-161.1-120.7 142.8 -4.4 65.9 29.0 64 67 A R E -C 86 0A 156 22,-2.5 22,-2.7 -2,-0.4 2,-0.4 -0.959 7.9-175.2-122.6 141.7 -6.0 63.8 31.7 65 68 A A E +C 85 0A 7 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.997 5.9 170.1-138.2 141.1 -4.3 61.2 34.0 66 69 A C E -C 84 0A 60 18,-1.9 18,-2.3 -2,-0.4 2,-0.2 -0.995 36.1-111.6-152.7 144.6 -5.7 58.8 36.5 67 70 A L E -C 83 0A 63 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.517 22.7-170.0 -70.6 140.2 -4.5 55.9 38.7 68 71 A T S S+ 0 0 86 14,-2.0 15,-0.2 1,-0.2 -1,-0.1 0.213 70.3 5.7-116.4 11.7 -6.2 52.7 37.5 69 72 A G S S- 0 0 23 13,-0.6 -1,-0.2 3,-0.0 3,-0.1 -0.958 95.8 -63.8-176.3 169.9 -5.1 50.7 40.5 70 73 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.267 51.9-104.6 -70.7 157.5 -3.2 51.0 43.8 71 74 A V - 0 0 10 10,-0.1 2,-0.6 -62,-0.1 10,-0.2 -0.668 29.5-144.3 -79.0 130.3 0.4 52.1 44.1 72 75 A R E -D 80 0A 146 8,-3.0 8,-2.7 -2,-0.4 2,-0.4 -0.881 24.6-173.5 -97.3 123.2 2.6 49.2 44.9 73 76 A A E -D 79 0A 35 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.934 13.1-155.5-124.1 146.5 5.4 50.3 47.2 74 77 A S - 0 0 38 4,-2.9 3,-0.4 -2,-0.4 -66,-0.2 -0.447 31.1-110.6-104.6-179.2 8.6 48.6 48.6 75 78 A H S S+ 0 0 177 1,-0.2 -70,-0.1 -2,-0.2 4,-0.1 0.305 105.5 67.8 -97.2 7.7 10.6 49.3 51.7 76 79 A N S S- 0 0 89 2,-0.2 -1,-0.2 -72,-0.1 -72,-0.1 -0.099 122.2 -85.7-118.9 36.6 13.6 50.7 49.9 77 80 A G S S+ 0 0 0 -74,-0.5 27,-3.2 -3,-0.4 2,-0.3 0.674 92.5 114.8 73.8 20.0 12.2 53.9 48.4 78 81 A C E + E 0 103A 26 25,-0.2 -4,-2.9 -75,-0.1 2,-0.3 -0.862 33.8 169.6-122.3 157.2 10.7 52.4 45.3 79 82 A G E -DE 73 102A 6 23,-2.0 23,-2.5 -2,-0.3 2,-0.3 -0.975 17.9-150.6-156.7 165.1 7.2 52.0 43.9 80 83 A A E -DE 72 101A 32 -8,-2.7 -8,-3.0 -2,-0.3 21,-0.2 -0.990 16.4-176.1-140.7 144.6 5.3 51.1 40.8 81 84 A M E - E 0 100A 2 19,-2.1 19,-2.0 -2,-0.3 2,-0.4 -1.000 20.6-136.6-148.2 145.5 1.9 52.2 39.6 82 85 A P E + E 0 99A 23 0, 0.0 -14,-2.0 0, 0.0 -13,-0.6 -0.810 37.9 150.7 -98.4 137.8 -0.7 51.6 36.8 83 86 A F E -CE 67 98A 16 15,-2.4 15,-2.7 -2,-0.4 2,-0.4 -0.977 34.5-127.6-158.3 168.2 -2.4 54.6 35.3 84 87 A R E -CE 66 97A 79 -18,-2.3 -18,-1.9 -2,-0.3 2,-0.4 -0.955 10.8-156.8-126.3 145.3 -4.0 55.9 32.1 85 88 A V E -CE 65 96A 22 11,-2.3 11,-2.4 -2,-0.4 2,-0.5 -0.983 7.6-166.0-121.7 129.3 -3.3 59.0 30.1 86 89 A E E +CE 64 95A 73 -22,-2.7 -22,-2.5 -2,-0.4 2,-0.2 -0.971 23.7 142.0-119.0 127.8 -5.9 60.5 27.8 87 90 A M E - E 0 94A 56 7,-2.0 7,-3.4 -2,-0.5 2,-0.4 -0.788 46.3 -97.3-145.7-171.1 -5.1 63.1 25.2 88 91 A V E - E 0 93A 88 5,-0.3 2,-0.6 -2,-0.2 4,-0.1 -0.981 23.5-164.1-123.2 128.6 -5.8 64.3 21.7 89 92 A W E > S- E 0 92A 157 3,-2.9 3,-1.3 -2,-0.4 -2,-0.0 -0.898 76.5 -33.2-116.4 103.0 -3.6 63.5 18.7 90 93 A N T 3 S- 0 0 150 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.807 126.9 -44.6 58.8 31.8 -4.2 65.7 15.7 91 94 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 -0.209 117.2 102.3 110.6 -44.2 -7.8 65.9 16.6 92 95 A Q E < S-E 89 0A 117 -3,-1.3 -3,-2.9 1,-0.1 -1,-0.3 -0.581 74.1-117.0 -80.3 135.5 -8.7 62.3 17.5 93 96 A P E -E 88 0A 98 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.430 36.6-171.8 -70.1 142.8 -8.9 61.3 21.2 94 97 A C E -E 87 0A 9 -7,-3.4 -7,-2.0 -2,-0.1 2,-0.3 -0.945 15.7-157.5-137.1 157.7 -6.4 58.8 22.4 95 98 A A E -EF 86 123A 7 28,-2.4 28,-2.5 -2,-0.3 2,-0.4 -0.986 5.9-167.8-134.6 143.6 -5.7 56.7 25.5 96 99 A L E -EF 85 122A 17 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.5 -0.984 11.9-147.9-136.8 122.6 -2.4 55.2 26.7 97 100 A D E +E 84 0A 52 24,-2.0 2,-0.3 -2,-0.4 21,-0.2 -0.803 29.2 174.0 -92.3 127.2 -2.0 52.7 29.5 98 101 A V E -E 83 0A 9 -15,-2.7 -15,-2.4 -2,-0.5 2,-0.4 -0.892 28.0-154.0-133.1 157.1 1.3 53.0 31.4 99 102 A I E -EG 82 116A 80 17,-1.3 17,-3.3 -2,-0.3 2,-0.4 -0.993 17.2-160.3-131.2 124.3 3.1 51.7 34.4 100 103 A D E -EG 81 115A 4 -19,-2.0 -19,-2.1 -2,-0.4 2,-0.5 -0.880 5.0-163.2-105.3 138.8 5.7 53.9 36.1 101 104 A V E -EG 80 114A 44 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.990 17.6-173.7-118.1 127.3 8.5 52.5 38.3 102 105 A M E -EG 79 113A 1 -23,-2.5 -23,-2.0 -2,-0.5 2,-0.5 -0.957 19.2-158.6-128.0 145.8 10.1 55.2 40.5 103 106 A R E -EG 78 112A 111 9,-2.2 8,-3.0 -2,-0.4 9,-1.6 -0.988 17.9-154.7-120.2 125.6 13.0 55.3 42.8 104 107 A F E - G 0 110A 3 -27,-3.2 6,-0.2 -2,-0.5 2,-0.1 -0.669 6.6-135.7-100.1 155.3 13.1 58.1 45.4 105 108 A D > - 0 0 16 4,-2.4 3,-2.0 -2,-0.2 -1,-0.1 -0.352 40.1 -83.5 -98.9-176.5 16.1 59.6 47.1 106 109 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.0 -104,-0.2 -29,-0.0 0.590 127.4 56.7 -64.3 -10.9 16.8 60.6 50.8 107 110 A H T 3 S- 0 0 115 2,-0.2 -1,-0.3 -104,-0.0 -105,-0.1 0.356 119.0-107.1-101.4 4.0 15.0 63.9 50.2 108 111 A G S < S+ 0 0 20 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.730 78.0 131.7 78.2 21.2 11.8 62.3 49.0 109 112 A R - 0 0 84 -78,-0.0 -4,-2.4 -4,-0.0 2,-0.5 -0.786 67.8 -97.9-108.4 152.8 12.4 63.3 45.4 110 113 A I E +aG 31 104A 0 -80,-2.9 -78,-2.7 -2,-0.3 -6,-0.2 -0.541 40.1 173.3 -70.7 117.4 12.2 61.2 42.3 111 114 A Q E + 0 0 71 -8,-3.0 -75,-1.9 -2,-0.5 2,-0.4 0.862 68.8 11.2 -90.1 -44.3 15.7 60.0 41.4 112 115 A T E -aG 36 103A 36 -9,-1.6 -9,-2.2 -77,-0.2 2,-0.4 -1.000 62.3-172.6-139.2 138.4 14.8 57.7 38.5 113 116 A M E -aG 37 102A 1 -77,-1.8 -75,-2.7 -2,-0.4 2,-0.5 -0.998 0.4-173.4-133.9 131.2 11.6 57.1 36.6 114 117 A Q E -aG 38 101A 48 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.6 -0.993 9.8-157.0-125.1 125.0 11.0 54.4 34.0 115 118 A A E - 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