==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-DEC-99 1DMN . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.H.KIM,D.S.JANG,G.H.NAM,B.H.OH,K.Y.CHOI . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 72.4 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 . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 22.8 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 1 0 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 0 106 0, 0.0 105,-0.1 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 179.7 14.6 61.1 54.5 2 3 A L - 0 0 78 103,-0.2 103,-0.2 104,-0.1 74,-0.1 -0.390 360.0-116.1 -55.4 115.8 14.2 57.9 52.5 3 4 A P - 0 0 4 0, 0.0 73,-0.3 0, 0.0 2,-0.1 -0.284 25.7-124.8 -60.3 148.0 10.5 57.8 52.2 4 5 A T >> - 0 0 77 71,-0.1 4,-2.8 72,-0.1 3,-0.6 -0.419 37.1 -89.0 -79.1 173.2 8.8 54.8 54.0 5 6 A A H 3> S+ 0 0 23 1,-0.3 4,-1.5 2,-0.2 69,-0.1 0.870 131.4 47.1 -51.9 -43.0 6.4 52.5 52.1 6 7 A Q H 3> S+ 0 0 158 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.784 110.3 51.6 -69.7 -32.2 3.5 54.8 53.0 7 8 A E H <> S+ 0 0 102 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.896 105.6 56.1 -73.1 -38.4 5.4 58.0 52.0 8 9 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.910 105.2 51.8 -59.8 -42.1 6.2 56.5 48.6 9 10 A Q H X S+ 0 0 84 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.874 112.3 46.9 -62.2 -38.9 2.4 55.8 48.0 10 11 A G H X S+ 0 0 43 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.895 112.3 47.6 -69.6 -41.1 1.6 59.5 48.8 11 12 A L H X S+ 0 0 43 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 113.0 48.9 -65.9 -41.5 4.4 61.0 46.7 12 13 A M H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.827 110.6 49.7 -70.0 -33.4 3.6 58.9 43.7 13 14 A A H X S+ 0 0 30 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.823 109.2 53.1 -71.5 -31.7 -0.1 59.7 43.9 14 15 A R H X S+ 0 0 123 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.920 103.2 58.8 -66.7 -43.9 0.8 63.4 44.1 15 16 A Y H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 106.1 45.5 -51.6 -48.4 2.8 63.0 41.0 16 17 A I H X S+ 0 0 8 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.815 110.3 56.7 -64.9 -32.7 -0.2 61.8 38.9 17 18 A E H X S+ 0 0 132 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.924 109.4 45.5 -60.9 -50.6 -2.2 64.7 40.5 18 19 A L H X>S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 5,-1.3 0.849 112.1 49.8 -64.4 -41.0 0.3 67.2 39.2 19 20 A V H <5S+ 0 0 16 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 109.4 53.9 -65.2 -39.1 0.5 65.6 35.7 20 21 A D H <5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 114.6 37.8 -61.3 -46.2 -3.3 65.7 35.5 21 22 A V H <5S- 0 0 106 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.782 106.8-127.7 -73.8 -33.9 -3.6 69.5 36.3 22 23 A G T <5 + 0 0 30 -4,-2.0 2,-1.5 -5,-0.2 -3,-0.2 0.785 47.1 161.6 91.0 29.1 -0.5 70.2 34.3 23 24 A D >< - 0 0 79 -5,-1.3 4,-1.9 1,-0.2 -1,-0.2 -0.668 13.2-178.6 -84.9 87.5 1.4 72.2 36.8 24 25 A I H > S+ 0 0 18 -2,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.835 74.8 52.0 -57.3 -37.9 4.8 71.9 35.2 25 26 A E H > S+ 0 0 148 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 110.8 48.3 -69.4 -40.9 6.9 73.8 37.8 26 27 A A H 4 S+ 0 0 23 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.868 111.9 50.6 -68.1 -35.1 5.5 71.7 40.6 27 28 A I H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.5 0.970 108.0 51.7 -66.3 -51.2 6.2 68.5 38.7 28 29 A V H >< S+ 0 0 20 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.843 103.7 58.8 -52.4 -37.2 9.8 69.5 38.0 29 30 A Q T 3< S+ 0 0 122 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.572 91.3 69.2 -74.4 -7.9 10.4 70.2 41.6 30 31 A M T < S+ 0 0 13 -3,-2.1 79,-2.8 -4,-0.4 -1,-0.3 0.696 91.6 77.9 -79.8 -20.5 9.5 66.6 42.6 31 32 A F E < S-a 109 0A 0 -3,-1.2 79,-0.2 -4,-0.5 2,-0.1 -0.538 90.8-107.5 -89.1 153.8 12.7 65.4 40.9 32 33 A A E > - 0 0 4 77,-2.6 3,-1.7 -2,-0.2 16,-0.1 -0.429 39.4-106.8 -71.1 157.0 16.3 65.7 42.2 33 34 A D E 3 S+ 0 0 113 1,-0.3 16,-2.3 15,-0.1 17,-0.3 0.848 121.5 32.4 -57.0 -30.6 18.3 68.3 40.4 34 35 A D E 3 S+ 0 0 80 14,-0.3 -1,-0.3 15,-0.1 76,-0.0 0.009 88.2 143.3-116.7 24.5 20.2 65.6 38.6 35 36 A A E < - 0 0 0 -3,-1.7 13,-3.0 74,-0.1 2,-0.3 -0.154 39.9-140.9 -60.3 157.6 17.5 63.0 38.3 36 37 A T E -aB 111 47A 38 74,-1.5 76,-1.4 11,-0.2 2,-0.4 -0.932 11.0-159.8-124.0 142.5 17.3 60.9 35.1 37 38 A V E -aB 112 46A 1 9,-2.6 9,-2.3 -2,-0.3 2,-0.5 -0.974 7.8-167.5-122.6 140.1 14.1 59.9 33.3 38 39 A E E -a 113 0A 41 74,-1.9 76,-2.5 -2,-0.4 3,-0.2 -0.936 17.8-173.8-128.1 102.5 13.7 57.0 30.8 39 40 A D S S+ 0 0 42 -2,-0.5 2,-0.1 1,-0.4 76,-0.1 -0.911 77.9 18.2-148.1 109.0 10.3 57.4 29.1 40 41 A P S > S- 0 0 27 0, 0.0 3,-1.6 0, 0.0 -1,-0.4 0.682 103.8-122.7 -75.0 156.2 9.6 55.1 27.3 41 42 A F T 3 S+ 0 0 100 73,-2.7 75,-0.2 1,-0.2 -2,-0.1 -0.441 101.4 49.8 -62.0 145.4 12.1 52.7 28.8 42 43 A G T 3 S+ 0 0 68 1,-0.5 -1,-0.2 -2,-0.1 73,-0.0 0.126 95.4 101.0 106.6 -18.9 14.3 51.4 26.1 43 44 A Q S < S- 0 0 101 -3,-1.6 -1,-0.5 1,-0.1 0, 0.0 -0.727 88.4 -91.6 -96.6 147.3 14.9 55.0 25.1 44 45 A P - 0 0 98 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.266 51.6-105.3 -59.1 142.6 18.0 57.0 26.1 45 46 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.192 17.2-137.6 -71.9 156.7 17.6 58.9 29.4 46 47 A I E -B 37 0A 36 -9,-2.3 -9,-2.6 6,-0.0 2,-0.4 -0.920 25.1-153.0-111.2 136.5 17.1 62.6 30.0 47 48 A H E > +B 36 0A 94 -2,-0.4 4,-0.6 -11,-0.2 -11,-0.2 -0.963 42.8 8.9-117.2 142.1 19.1 64.0 32.8 48 49 A G H > S- 0 0 10 -13,-3.0 4,-2.1 -2,-0.4 -14,-0.3 0.333 83.0 -79.8 75.5 151.2 18.6 67.0 35.1 49 50 A R H > S+ 0 0 68 -16,-2.3 4,-2.8 1,-0.2 5,-0.3 0.801 122.9 59.4 -52.9 -39.8 15.8 69.4 35.8 50 51 A E H > S+ 0 0 170 -17,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.980 112.2 39.6 -56.1 -54.6 16.5 71.6 32.8 51 52 A Q H X S+ 0 0 107 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.842 116.2 51.5 -64.6 -30.4 15.9 68.6 30.4 52 53 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.908 107.9 50.9 -74.7 -39.4 13.1 67.2 32.4 53 54 A A H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.942 112.0 48.7 -63.9 -41.3 11.2 70.5 32.5 54 55 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.909 109.3 51.7 -63.7 -42.6 11.6 70.7 28.8 55 56 A F H X S+ 0 0 66 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.898 114.4 43.8 -57.7 -46.7 10.4 67.1 28.3 56 57 A F H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.795 110.1 53.2 -69.8 -36.6 7.2 67.8 30.4 57 58 A R H < S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 107.1 55.9 -65.1 -37.9 6.5 71.2 28.8 58 59 A Q H < S+ 0 0 172 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.818 115.5 35.6 -59.5 -42.7 6.6 69.4 25.4 59 60 A G H < S+ 0 0 51 -4,-1.1 2,-0.3 -5,-0.1 -2,-0.2 0.696 86.4 113.1 -95.2 -13.4 4.0 66.9 26.5 60 61 A L < + 0 0 46 -4,-1.6 -36,-0.1 1,-0.1 -40,-0.1 -0.567 32.9 83.4 -91.7 130.7 1.2 68.5 28.7 61 65 A K S S+ 0 0 154 -2,-0.3 -1,-0.1 -41,-0.0 -41,-0.1 -0.161 74.4 124.7 173.7 15.2 -2.7 69.2 28.1 62 66 A V - 0 0 31 -43,-0.2 2,-0.4 -3,-0.1 24,-0.2 0.029 62.4-126.4 -83.0 178.0 -3.6 65.6 29.1 63 67 A R E -C 85 0A 141 22,-1.4 22,-3.1 2,-0.0 2,-0.4 -0.987 31.7-178.6-126.9 129.4 -5.9 63.8 31.7 64 68 A A E +C 84 0A 3 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.998 4.6 175.1-137.2 134.3 -4.1 61.2 33.8 65 69 A C E -C 83 0A 44 18,-2.2 18,-2.2 -2,-0.4 2,-0.4 -0.978 35.3-111.9-140.8 149.3 -5.4 58.9 36.5 66 70 A L E -C 82 0A 63 -2,-0.3 16,-0.3 16,-0.2 4,-0.1 -0.710 25.2-168.7 -73.5 131.1 -4.1 56.1 38.7 67 71 A T + 0 0 83 14,-1.8 15,-0.2 -2,-0.4 -1,-0.1 0.326 68.8 2.5-105.6 9.8 -5.8 52.8 37.6 68 72 A G S S- 0 0 22 13,-0.7 -1,-0.1 0, 0.0 0, 0.0 -0.960 97.1 -59.8-176.8 169.7 -4.7 50.8 40.6 69 73 A P - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.148 51.2-104.5 -68.1 156.8 -2.8 51.1 43.8 70 74 A V - 0 0 11 10,-0.2 2,-0.5 -4,-0.1 10,-0.2 -0.740 31.1-144.6 -79.3 127.5 0.8 52.3 44.2 71 75 A R E -D 79 0A 143 8,-3.3 8,-2.3 -2,-0.5 2,-0.4 -0.845 25.9-177.7 -93.6 126.6 3.0 49.3 45.0 72 76 A A E -D 78 0A 38 -2,-0.5 6,-0.2 6,-0.2 2,-0.2 -0.962 15.9-159.5-133.3 144.4 5.8 50.3 47.4 73 77 A S - 0 0 44 4,-1.9 3,-0.4 -2,-0.4 -65,-0.2 -0.439 34.9-107.2-104.7-174.4 8.8 48.7 49.0 74 78 A H S S+ 0 0 169 1,-0.2 -69,-0.1 -2,-0.2 -72,-0.0 0.384 105.9 69.7 -94.7 -2.7 10.8 49.6 52.0 75 79 A N S S- 0 0 90 2,-0.1 -1,-0.2 -71,-0.1 3,-0.1 0.089 119.8 -87.8-105.9 28.0 13.9 50.8 50.1 76 80 A G S S+ 0 0 0 -3,-0.4 27,-2.7 -73,-0.3 2,-0.3 0.615 89.7 122.6 82.0 13.3 12.6 54.0 48.4 77 81 A C E + E 0 102A 32 25,-0.2 -4,-1.9 -74,-0.1 2,-0.3 -0.723 32.0 172.1-108.2 154.6 11.1 52.3 45.4 78 82 A G E -DE 72 101A 6 23,-1.6 23,-2.5 -2,-0.3 2,-0.3 -0.983 13.8-164.6-154.6 157.9 7.6 52.4 44.0 79 83 A A E +DE 71 100A 31 -8,-2.3 -8,-3.3 -2,-0.3 21,-0.2 -0.990 13.2 179.1-146.2 141.9 5.6 51.2 40.9 80 84 A M E - E 0 99A 2 19,-2.0 19,-1.8 -2,-0.3 2,-0.4 -0.999 23.2-131.5-148.8 145.2 2.2 52.3 39.9 81 85 A P E + E 0 98A 25 0, 0.0 -14,-1.8 0, 0.0 -13,-0.7 -0.786 36.6 158.6 -97.3 141.0 -0.3 51.7 37.1 82 86 A F E -CE 66 97A 14 15,-2.5 15,-2.9 -2,-0.4 2,-0.4 -0.981 30.6-134.0-154.2 165.7 -2.0 54.6 35.3 83 87 A R E -CE 65 96A 65 -18,-2.2 -18,-2.2 -2,-0.3 2,-0.5 -0.965 10.7-157.8-123.7 142.8 -3.7 55.8 32.2 84 88 A V E -CE 64 95A 19 11,-2.6 11,-2.1 -2,-0.4 2,-0.5 -0.974 6.5-160.2-120.5 130.4 -3.2 59.0 30.2 85 89 A E E +CE 63 94A 82 -22,-3.1 -22,-1.4 -2,-0.5 9,-0.2 -0.955 24.4 150.2-113.5 126.3 -5.9 60.3 28.0 86 90 A M E - E 0 93A 55 7,-2.1 7,-1.8 -2,-0.5 2,-0.4 -0.723 43.9-121.0-137.5-173.5 -5.1 62.7 25.2 87 91 A V E - E 0 92A 76 5,-0.3 2,-0.6 -2,-0.2 3,-0.4 -0.885 27.6-160.9-139.4 99.7 -6.2 63.8 21.7 88 92 A W E > S- E 0 91A 142 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.826 70.1 -24.5 -91.2 116.3 -3.4 63.4 19.2 89 93 A N T 3 S- 0 0 149 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.896 130.8 -43.5 48.3 51.0 -3.8 65.4 15.9 90 94 A G T 3 S+ 0 0 70 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.088 123.2 101.5 87.6 -24.2 -7.6 65.6 16.3 91 95 A Q E < S-E 88 0A 116 -3,-2.1 -3,-2.6 -4,-0.0 2,-0.4 -0.814 70.9-128.0 -99.3 133.1 -8.0 61.9 17.4 92 96 A P E +E 87 0A 84 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.636 33.0 179.6 -79.7 129.3 -8.5 61.0 21.1 93 97 A C E -E 86 0A 9 -7,-1.8 -7,-2.1 -2,-0.4 2,-0.3 -0.743 19.9-150.8-124.3 175.9 -6.1 58.4 22.5 94 98 A A E -EF 85 122A 8 28,-0.8 28,-2.6 -2,-0.2 2,-0.4 -0.968 8.5-164.1-145.1 143.3 -5.4 56.5 25.7 95 99 A L E -EF 84 121A 19 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.5 -0.989 9.4-149.9-138.2 125.9 -2.1 55.1 26.9 96 100 A D E +E 83 0A 51 24,-2.1 2,-0.3 -2,-0.4 -13,-0.2 -0.830 28.3 172.8 -97.1 128.3 -1.6 52.6 29.7 97 101 A V E -E 82 0A 10 -15,-2.9 -15,-2.5 -2,-0.5 2,-0.4 -0.947 28.2-150.9-136.4 154.3 1.7 53.1 31.4 98 102 A I E -EG 81 115A 82 17,-1.7 17,-3.1 -2,-0.3 2,-0.4 -0.993 17.3-160.1-125.4 123.7 3.5 51.7 34.4 99 103 A D E -EG 80 114A 1 -19,-1.8 -19,-2.0 -2,-0.4 2,-0.4 -0.862 3.6-165.1-103.2 139.9 6.0 54.1 36.2 100 104 A V E -EG 79 113A 41 13,-2.5 13,-2.1 -2,-0.4 2,-0.4 -0.991 15.9-175.3-121.3 127.0 8.8 52.8 38.5 101 105 A M E -EG 78 112A 2 -23,-2.5 -23,-1.6 -2,-0.4 2,-0.4 -0.956 21.0-155.9-129.0 149.4 10.5 55.3 40.6 102 106 A R E -EG 77 111A 126 9,-2.1 8,-2.8 -2,-0.4 9,-1.6 -0.978 18.3-153.1-120.4 129.7 13.4 55.5 43.0 103 107 A F E - G 0 109A 5 -27,-2.7 6,-0.2 -2,-0.4 2,-0.1 -0.652 9.8-130.6 -99.1 153.6 13.4 58.2 45.7 104 108 A D > - 0 0 9 4,-2.5 3,-3.1 -2,-0.2 4,-0.1 -0.425 40.2 -82.9 -98.0 177.5 16.4 59.8 47.4 105 109 A E T 3 S+ 0 0 116 1,-0.3 -103,-0.2 -103,-0.2 -1,-0.1 0.326 129.7 51.3 -59.6 5.5 17.3 60.5 51.0 106 110 A H T 3 S- 0 0 112 2,-0.2 -1,-0.3 -105,-0.1 -104,-0.1 0.278 118.2-104.1-124.4 0.5 15.2 63.6 50.6 107 111 A G S < S+ 0 0 20 -3,-3.1 2,-0.3 1,-0.3 -2,-0.1 0.726 79.4 128.4 81.9 18.7 12.0 62.3 49.1 108 112 A R - 0 0 97 -4,-0.1 -4,-2.5 -77,-0.0 2,-0.6 -0.785 69.7 -99.0-108.9 153.1 12.8 63.5 45.6 109 113 A I E +aG 31 103A 0 -79,-2.8 -77,-2.6 -2,-0.3 -6,-0.2 -0.636 39.9 174.5 -72.5 119.5 12.6 61.4 42.5 110 114 A Q E + 0 0 72 -8,-2.8 -74,-1.5 -2,-0.6 2,-0.3 0.808 68.4 10.3 -94.4 -38.3 16.1 60.2 41.7 111 115 A T E -aG 36 102A 31 -9,-1.6 -9,-2.1 -76,-0.2 2,-0.4 -0.995 63.4-171.8-146.0 142.8 15.3 57.9 38.8 112 116 A M E -aG 37 101A 0 -76,-1.4 -74,-1.9 -2,-0.3 2,-0.4 -0.995 2.3-176.4-138.4 139.0 12.2 57.2 36.8 113 117 A Q E -aG 38 100A 44 -13,-2.1 -13,-2.5 -2,-0.4 2,-0.5 -0.999 9.3-158.1-134.5 132.4 11.3 54.6 34.2 114 118 A A E - 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