==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-DEC-01 1GS3 . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.SHIN,N.-C.HA,B.-H.OH . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 74.8 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 . 9 7.3 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 . 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 0 172 0, 0.0 3,-0.1 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0-174.0 14.8 60.6 54.4 2 3 A L - 0 0 83 104,-0.1 104,-0.2 1,-0.1 75,-0.1 -0.297 360.0-115.6 -51.0 110.8 14.2 57.5 52.3 3 4 A P - 0 0 6 0, 0.0 74,-0.3 0, 0.0 2,-0.1 -0.113 25.4-123.6 -52.0 149.7 10.4 57.5 52.2 4 5 A T > - 0 0 74 72,-0.1 4,-2.2 73,-0.1 3,-0.2 -0.427 34.2 -92.7 -88.6 169.5 8.6 54.6 53.8 5 6 A A H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.925 129.0 46.0 -47.8 -53.3 6.2 52.4 51.9 6 7 A Q H > S+ 0 0 156 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.843 111.1 53.3 -60.5 -35.1 3.2 54.6 52.9 7 8 A E H > S+ 0 0 104 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.826 106.9 52.7 -68.9 -32.0 5.1 57.7 52.1 8 9 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -3,-0.4 5,-0.3 0.909 102.5 56.7 -70.5 -42.9 5.8 56.4 48.6 9 10 A Q H X S+ 0 0 92 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.869 111.9 45.9 -55.6 -35.7 2.2 55.6 47.9 10 11 A G H X S+ 0 0 40 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.941 110.6 48.2 -74.0 -49.9 1.6 59.3 48.6 11 12 A L H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.914 114.8 46.8 -58.0 -44.4 4.3 60.9 46.6 12 13 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.880 113.0 47.9 -67.4 -36.9 3.5 58.8 43.6 13 14 A A H X S+ 0 0 29 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.859 111.0 52.8 -69.8 -34.1 -0.2 59.5 43.8 14 15 A R H X S+ 0 0 118 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.927 104.3 56.7 -63.5 -47.2 0.7 63.2 44.2 15 16 A Y H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.890 107.2 47.3 -51.4 -47.0 2.7 63.0 41.1 16 17 A I H X S+ 0 0 7 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.880 108.3 56.6 -66.1 -35.9 -0.3 61.8 39.1 17 18 A E H X S+ 0 0 126 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.959 111.4 43.0 -57.4 -51.2 -2.4 64.5 40.6 18 19 A L H X>S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 5,-1.1 0.940 112.6 50.6 -61.8 -50.4 0.1 67.1 39.3 19 20 A V H <5S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.0 55.3 -56.4 -37.0 0.4 65.5 35.9 20 21 A D H <5S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 114.6 36.3 -64.4 -40.9 -3.4 65.5 35.7 21 22 A V H <5S- 0 0 99 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.617 106.8-128.1 -87.7 -12.0 -3.7 69.2 36.3 22 23 A G T <5 + 0 0 29 -4,-2.0 2,-1.9 1,-0.2 -3,-0.2 0.723 45.9 162.4 76.0 21.4 -0.6 70.0 34.3 23 24 A D >< - 0 0 76 -5,-1.1 4,-2.1 1,-0.2 -1,-0.2 -0.562 14.8-177.2 -75.4 88.0 1.2 72.1 37.0 24 25 A I H > S+ 0 0 19 -2,-1.9 4,-2.8 1,-0.2 5,-0.2 0.861 73.9 51.2 -58.5 -43.3 4.6 71.8 35.3 25 26 A E H > S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 112.3 48.3 -64.0 -38.8 6.7 73.7 37.8 26 27 A A H > S+ 0 0 23 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.890 112.5 49.4 -67.7 -38.2 5.3 71.6 40.6 27 28 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.968 109.0 49.7 -64.8 -53.5 5.9 68.4 38.7 28 29 A V H >< S+ 0 0 18 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.806 103.8 64.0 -55.1 -30.7 9.6 69.2 37.8 29 30 A Q H 3< S+ 0 0 116 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.659 88.7 66.4 -69.7 -19.5 10.1 70.0 41.5 30 31 A M T << S+ 0 0 15 -3,-1.9 80,-2.6 -4,-0.5 -1,-0.2 0.677 90.4 81.9 -76.3 -17.5 9.4 66.4 42.7 31 32 A F E < S-a 110 0A 1 -3,-1.1 80,-0.2 -4,-0.4 2,-0.1 -0.546 88.8-108.5 -88.8 155.3 12.6 65.2 40.9 32 33 A A E > - 0 0 2 78,-2.9 3,-1.3 -2,-0.2 16,-0.1 -0.381 38.5-108.1 -70.8 161.3 16.1 65.4 42.2 33 34 A D E 3 S+ 0 0 112 1,-0.3 16,-1.9 15,-0.1 17,-0.3 0.825 118.8 36.0 -64.0 -31.5 18.2 68.0 40.3 34 35 A D E 3 S+ 0 0 80 14,-0.2 -1,-0.3 15,-0.1 77,-0.1 0.099 89.4 145.5-108.8 21.4 20.2 65.4 38.5 35 36 A A E < - 0 0 1 -3,-1.3 13,-3.4 75,-0.2 2,-0.4 -0.036 39.1-139.3 -57.5 159.4 17.4 62.8 38.0 36 37 A T E -aB 112 47A 43 75,-1.5 77,-1.9 11,-0.2 2,-0.4 -0.987 12.4-164.0-127.1 134.2 17.1 60.6 35.0 37 38 A V E -aB 113 46A 1 9,-2.6 9,-2.9 -2,-0.4 2,-0.6 -0.961 7.8-166.2-120.8 134.4 14.0 59.7 33.2 38 39 A E E -a 114 0A 40 75,-2.2 77,-2.7 -2,-0.4 3,-0.2 -0.931 16.7-170.3-119.3 101.5 13.5 56.8 30.7 39 40 A N S S+ 0 0 47 -2,-0.6 2,-0.1 1,-0.4 77,-0.1 -0.930 79.3 16.4-141.4 108.7 10.2 57.4 28.8 40 41 A P S > S- 0 0 28 0, 0.0 3,-2.0 0, 0.0 -1,-0.4 0.649 105.4-113.0 -81.9 165.7 9.4 55.1 27.2 41 42 A F T 3 S+ 0 0 100 74,-2.9 76,-0.2 1,-0.2 -2,-0.1 -0.404 104.0 38.4 -60.6 133.6 11.7 52.4 28.8 42 43 A G T 3 S+ 0 0 63 1,-0.6 -1,-0.2 -2,-0.1 74,-0.0 -0.035 94.2 99.3 114.2 -29.6 14.2 51.4 26.2 43 44 A Q S < S- 0 0 112 -3,-2.0 -1,-0.6 1,-0.1 0, 0.0 -0.420 92.0 -80.0 -84.1 162.7 14.8 54.9 24.7 44 45 A P - 0 0 101 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.448 56.6-113.9 -65.8 136.2 17.8 57.0 25.7 45 46 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.261 15.8-130.5 -70.0 154.1 17.1 58.7 29.1 46 47 A I E -B 37 0A 37 -9,-2.9 -9,-2.6 5,-0.0 2,-0.4 -0.801 26.5-150.8-101.4 148.4 16.8 62.4 29.7 47 48 A H E > +B 36 0A 96 -2,-0.3 4,-0.6 -11,-0.2 -11,-0.2 -0.975 43.6 10.0-130.5 134.9 18.9 63.8 32.5 48 49 A G H > S- 0 0 10 -13,-3.4 4,-2.3 -2,-0.4 -14,-0.2 0.231 83.5 -79.6 86.9 150.8 18.5 66.7 34.9 49 50 A R H > S+ 0 0 67 -16,-1.9 4,-2.8 1,-0.2 5,-0.3 0.805 123.6 59.5 -57.3 -34.1 15.6 69.1 35.7 50 51 A E H > S+ 0 0 169 -17,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.987 111.5 39.2 -60.4 -54.6 16.2 71.3 32.7 51 52 A Q H X S+ 0 0 100 -4,-0.6 4,-2.6 1,-0.2 -2,-0.2 0.865 115.3 54.0 -61.8 -35.3 15.6 68.4 30.3 52 53 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.923 108.8 47.6 -66.2 -43.1 12.8 67.0 32.5 53 54 A A H X S+ 0 0 25 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.955 110.8 53.2 -61.7 -46.2 10.9 70.3 32.4 54 55 A A H X S+ 0 0 57 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.935 109.3 49.2 -52.8 -49.1 11.4 70.4 28.7 55 56 A F H X S+ 0 0 68 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.942 114.2 43.3 -56.3 -52.6 9.9 66.9 28.3 56 57 A F H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.851 111.2 53.7 -65.7 -35.0 6.8 67.7 30.4 57 58 A R H < S+ 0 0 144 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.926 111.4 47.6 -64.9 -41.2 6.3 71.1 28.8 58 59 A Q H < S+ 0 0 176 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.862 117.9 41.3 -65.3 -39.7 6.3 69.3 25.4 59 60 A G H < 0 0 48 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.880 360.0 360.0 -79.4 -42.3 3.9 66.6 26.6 60 61 A L < 0 0 66 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.780 360.0 360.0 -98.8 360.0 1.4 68.5 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 0 196 0, 0.0 2,-0.4 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 86.0 -5.5 68.5 26.9 63 66 A V - 0 0 41 -43,-0.2 2,-0.3 24,-0.1 24,-0.2 -0.969 360.0-179.0-140.2 123.7 -4.2 65.7 29.0 64 67 A R E -C 86 0A 123 22,-1.3 22,-2.9 -2,-0.4 2,-0.3 -0.901 7.1-173.2-118.0 147.9 -5.8 63.9 31.9 65 68 A A E +C 85 0A 3 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.949 5.0 174.8-137.1 157.4 -4.2 61.1 34.0 66 69 A C E -C 84 0A 43 18,-1.4 18,-2.2 -2,-0.3 2,-0.1 -0.918 37.1-102.1-167.6 139.2 -5.4 58.8 36.7 67 70 A L E -C 83 0A 65 -2,-0.3 16,-0.3 16,-0.2 4,-0.1 -0.379 25.8-168.4 -59.6 134.0 -4.3 55.8 38.8 68 71 A T S S+ 0 0 85 14,-2.5 15,-0.2 1,-0.1 -1,-0.1 0.357 72.7 7.6-106.7 1.7 -6.0 52.7 37.4 69 72 A G S S- 0 0 21 13,-0.9 -1,-0.1 3,-0.0 3,-0.0 -0.954 97.5 -68.7-166.6 169.9 -4.9 50.6 40.4 70 73 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.206 54.6 -98.6 -69.1 166.6 -3.3 51.1 43.8 71 74 A V - 0 0 10 10,-0.1 2,-0.4 -4,-0.1 10,-0.2 -0.738 30.8-146.9 -87.9 120.5 0.4 52.0 44.2 72 75 A R E -D 80 0A 144 8,-2.2 8,-2.5 -2,-0.6 2,-0.3 -0.732 25.0-178.5 -85.9 133.7 2.7 49.1 44.9 73 76 A A E -D 79 0A 38 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.964 16.6-156.0-136.1 153.4 5.6 50.1 47.1 74 77 A S - 0 0 39 4,-2.6 3,-0.4 -2,-0.3 -66,-0.2 -0.418 32.5-107.3-110.8-170.3 8.7 48.5 48.7 75 78 A H S S+ 0 0 170 1,-0.2 -70,-0.0 -2,-0.2 -73,-0.0 0.322 105.7 66.1-105.5 7.7 10.8 49.3 51.7 76 79 A N S S- 0 0 85 2,-0.1 -1,-0.2 -72,-0.1 -72,-0.1 -0.002 123.3 -85.6-116.5 29.6 13.8 50.7 50.0 77 80 A G S S+ 0 0 0 -3,-0.4 27,-2.8 -74,-0.3 2,-0.3 0.791 89.0 125.5 77.0 30.1 12.2 53.8 48.5 78 81 A C E + E 0 103A 30 25,-0.2 -4,-2.6 -75,-0.1 2,-0.3 -0.901 29.3 171.2-121.5 150.6 10.9 52.2 45.3 79 82 A G E -DE 73 102A 5 23,-1.9 23,-2.0 -2,-0.3 2,-0.3 -0.987 16.0-161.3-152.9 159.0 7.4 52.1 43.9 80 83 A A E -DE 72 101A 33 -8,-2.5 -8,-2.2 -2,-0.3 21,-0.2 -0.995 14.3-172.4-143.0 138.2 5.5 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 -0.988 20.2-135.0-139.9 146.3 2.0 52.3 39.7 82 85 A P E + E 0 99A 23 0, 0.0 -14,-2.5 0, 0.0 -13,-0.9 -0.814 39.7 152.0 -96.6 132.9 -0.6 51.5 37.0 83 86 A F E -CE 67 98A 15 15,-2.8 15,-3.0 -2,-0.4 2,-0.4 -0.997 36.3-126.8-158.6 159.8 -2.3 54.5 35.3 84 87 A R E -CE 66 97A 89 -18,-2.2 -18,-1.4 -2,-0.3 2,-0.5 -0.910 12.6-156.3-114.6 139.1 -3.9 55.7 32.2 85 88 A V E -CE 65 96A 25 11,-3.0 11,-2.7 -2,-0.4 2,-0.4 -0.954 10.8-164.4-114.3 121.1 -3.1 58.8 30.1 86 89 A E E +CE 64 95A 76 -22,-2.9 -22,-1.3 -2,-0.5 2,-0.2 -0.845 21.4 144.5-106.1 143.0 -5.8 60.3 28.0 87 90 A M E - E 0 94A 57 7,-2.4 7,-2.1 -2,-0.4 2,-0.3 -0.862 46.5-110.1-155.0-170.5 -5.1 62.8 25.2 88 91 A V E > - E 0 93A 50 -26,-0.3 3,-0.6 5,-0.3 2,-0.4 -0.799 28.3-162.2-138.4 92.3 -6.0 64.1 21.7 89 92 A W E > S- E 0 92A 166 3,-2.0 3,-3.2 -2,-0.3 -2,-0.0 -0.649 73.3 -25.1 -81.2 125.8 -3.4 63.4 19.1 90 93 A N T 3 S- 0 0 150 -2,-0.4 -1,-0.3 1,-0.3 0, 0.0 0.862 130.0 -45.5 36.6 53.8 -3.7 65.6 15.9 91 94 A G T < S+ 0 0 67 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.079 121.1 110.1 84.2 -24.5 -7.4 66.1 16.6 92 95 A Q E < -E 89 0A 112 -3,-3.2 -3,-2.0 -4,-0.1 2,-0.2 -0.725 65.0-132.8 -92.7 130.6 -7.9 62.4 17.4 93 96 A P E +E 88 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.562 36.2 158.0 -79.0 138.5 -8.7 61.2 21.0 94 97 A C E -E 87 0A 13 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.4 -0.993 29.0-136.1-159.0 158.6 -6.7 58.3 22.4 95 98 A A E -EF 86 123A 10 28,-3.2 28,-3.2 -2,-0.3 2,-0.4 -0.927 8.0-158.6-123.8 146.4 -5.6 56.6 25.6 96 99 A L E -EF 85 122A 18 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.6 -0.982 11.4-144.6-124.9 130.5 -2.3 55.1 26.7 97 100 A D E +E 84 0A 52 24,-1.3 2,-0.3 -2,-0.4 21,-0.2 -0.863 30.2 175.4 -97.2 121.6 -1.9 52.5 29.5 98 101 A V E -E 83 0A 12 -15,-3.0 -15,-2.8 -2,-0.6 2,-0.4 -0.902 27.5-157.6-130.5 153.9 1.3 53.0 31.4 99 102 A I E -EG 82 116A 82 17,-1.5 17,-3.1 -2,-0.3 2,-0.4 -0.999 18.3-156.5-128.1 126.0 3.1 51.7 34.4 100 103 A D E -EG 81 115A 2 -19,-2.0 -19,-2.1 -2,-0.4 2,-0.5 -0.855 7.1-165.6-104.8 138.2 5.7 53.9 36.1 101 104 A V E +EG 80 114A 45 13,-2.7 13,-2.4 -2,-0.4 2,-0.3 -0.966 17.4 178.0-123.8 114.3 8.6 52.7 38.3 102 105 A M E -EG 79 113A 2 -23,-2.0 -23,-1.9 -2,-0.5 2,-0.5 -0.852 20.6-154.6-118.7 153.2 10.3 55.3 40.4 103 106 A R E -EG 78 112A 122 9,-2.8 8,-3.4 -2,-0.3 9,-1.6 -0.993 17.1-150.6-125.6 125.0 13.1 55.4 42.9 104 107 A F E - G 0 110A 3 -27,-2.8 6,-0.2 -2,-0.5 2,-0.2 -0.548 8.2-133.7 -92.6 160.5 13.3 58.1 45.5 105 108 A D > - 0 0 12 4,-2.1 3,-2.6 -2,-0.2 4,-0.1 -0.485 41.1 -82.4-104.2 178.0 16.3 59.6 47.2 106 109 A E T 3 S+ 0 0 108 1,-0.3 -104,-0.1 -2,-0.2 -29,-0.0 0.392 129.6 52.7 -62.9 7.2 17.1 60.4 50.8 107 110 A H T 3 S- 0 0 112 2,-0.2 -1,-0.3 -106,-0.1 3,-0.1 0.335 119.0-104.6-122.2 1.8 15.2 63.7 50.3 108 111 A G S < S+ 0 0 20 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.703 78.1 132.9 81.3 19.2 12.0 62.3 48.9 109 112 A R - 0 0 96 -4,-0.1 -4,-2.1 -78,-0.0 2,-0.4 -0.818 68.1-103.6-104.7 146.1 12.8 63.4 45.4 110 113 A I E +aG 31 104A 0 -80,-2.6 -78,-2.9 -2,-0.4 -6,-0.3 -0.544 39.4 177.6 -66.6 120.5 12.4 61.1 42.4 111 114 A Q E + 0 0 79 -8,-3.4 -75,-1.5 -2,-0.4 2,-0.3 0.786 68.0 5.7 -94.6 -37.1 16.0 60.1 41.5 112 115 A T E -aG 36 103A 36 -9,-1.6 -9,-2.8 -77,-0.2 -1,-0.4 -0.992 66.0-172.5-148.9 143.5 15.2 57.8 38.7 113 116 A M E -aG 37 102A 0 -77,-1.9 -75,-2.2 -2,-0.3 2,-0.4 -1.000 3.4-167.8-141.7 137.7 12.0 57.0 36.8 114 117 A Q E -aG 38 101A 53 -13,-2.4 -13,-2.7 -2,-0.4 2,-0.5 -0.992 7.7-155.0-130.5 131.7 11.1 54.4 34.2 115 118 A A E - 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