==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-APR-13 4K1U . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.J.CHA,D.S.JANG,Y.G.KIM,B.H.HONG,J.S.WOO,K.Y.CHOI . 243 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 28.0 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 3 1.2 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 . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 6 0 2 0 2 0 0 0 1 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 2 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 0 138 0, 0.0 3,-0.1 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0-173.0 14.3 1.4 36.8 2 3 A L - 0 0 57 103,-0.1 103,-0.2 104,-0.1 74,-0.1 -0.443 360.0-108.3 -59.6 120.5 13.8 3.7 33.8 3 4 A P - 0 0 4 0, 0.0 73,-0.4 0, 0.0 100,-0.1 -0.214 28.4-125.3 -56.2 137.0 10.0 3.6 33.3 4 5 A T > - 0 0 74 71,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.220 39.9 -90.0 -69.6 174.4 8.8 1.7 30.3 5 6 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 132.1 48.4 -55.0 -40.7 6.6 3.6 27.9 6 7 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 109.7 51.2 -68.8 -36.7 3.6 2.5 29.9 7 8 A E H > S+ 0 0 101 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.888 106.8 55.1 -68.8 -35.3 5.1 3.4 33.1 8 9 A V H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.937 106.2 50.7 -61.6 -46.9 5.9 6.9 31.7 9 10 A Q H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.939 113.5 47.3 -56.1 -44.4 2.2 7.4 30.8 10 11 A G H X S+ 0 0 44 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.908 113.6 45.7 -63.8 -45.2 1.4 6.3 34.4 11 12 A L H X S+ 0 0 39 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.913 114.1 47.6 -65.9 -42.9 3.9 8.6 36.0 12 13 A M H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.906 110.6 51.3 -69.4 -35.1 3.1 11.7 33.9 13 14 A A H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.919 109.2 52.6 -64.9 -41.3 -0.6 11.2 34.5 14 15 A R H X S+ 0 0 106 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.898 103.2 57.5 -61.1 -39.9 0.1 11.0 38.2 15 16 A F H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.923 107.1 47.0 -56.2 -47.4 2.1 14.3 38.1 16 17 A I H X S+ 0 0 7 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.908 109.5 55.9 -61.0 -40.6 -1.0 16.1 36.7 17 18 A E H X S+ 0 0 111 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.912 109.3 46.3 -56.1 -46.7 -3.1 14.4 39.4 18 19 A L H X>S+ 0 0 14 -4,-2.5 5,-2.1 2,-0.2 4,-0.9 0.896 112.3 48.7 -66.6 -41.5 -0.7 15.9 42.1 19 20 A V H <5S+ 0 0 11 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.911 108.8 56.3 -63.6 -41.8 -0.7 19.4 40.6 20 21 A D H <5S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 113.0 37.9 -59.9 -39.6 -4.5 19.2 40.4 21 22 A V H <5S- 0 0 108 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.527 111.0-122.2 -89.1 -7.1 -4.9 18.5 44.2 22 23 A G T <5 + 0 0 31 -4,-0.9 2,-1.6 -3,-0.4 -3,-0.2 0.811 50.6 162.2 73.7 30.6 -2.0 20.9 45.0 23 24 A D >< + 0 0 69 -5,-2.1 4,-1.8 1,-0.2 -1,-0.2 -0.597 8.7 175.4 -87.1 82.4 0.1 18.3 46.8 24 25 A I H > S+ 0 0 15 -2,-1.6 4,-3.0 1,-0.2 3,-0.5 0.928 76.3 51.4 -50.2 -53.6 3.5 20.2 46.6 25 26 A E H > S+ 0 0 129 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.879 111.7 45.7 -55.5 -42.9 5.3 17.6 48.7 26 27 A A H > S+ 0 0 5 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.755 112.5 51.9 -73.8 -23.8 4.2 14.7 46.6 27 28 A I H >X S+ 0 0 0 -4,-1.8 3,-1.3 -3,-0.5 4,-0.7 0.958 110.4 48.1 -72.9 -51.9 5.0 16.7 43.4 28 29 A V H >< S+ 0 0 18 -4,-3.0 3,-1.3 1,-0.3 -2,-0.2 0.865 106.1 58.2 -54.9 -40.3 8.5 17.4 44.7 29 30 A Q H 3< S+ 0 0 122 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.782 97.9 61.4 -62.5 -26.8 8.9 13.7 45.6 30 31 A M H << S+ 0 0 14 -3,-1.3 79,-3.3 -4,-0.7 -1,-0.3 0.745 93.9 82.4 -70.8 -21.3 8.3 12.8 42.0 31 32 A F E << S-a 109 0A 0 -3,-1.3 79,-0.2 -4,-0.7 18,-0.1 -0.596 89.0-112.4 -86.9 144.0 11.4 14.8 41.0 32 33 A A E > - 0 0 3 77,-2.9 3,-2.0 -2,-0.2 16,-0.1 -0.368 41.8-103.7 -64.5 155.8 14.9 13.5 41.2 33 34 A D E 3 S+ 0 0 118 1,-0.3 16,-1.6 15,-0.1 17,-0.3 0.790 122.0 35.2 -52.6 -34.1 16.8 15.5 43.9 34 35 A D E 3 S+ 0 0 105 14,-0.2 -1,-0.3 15,-0.1 -2,-0.1 -0.152 88.1 150.5-113.5 32.6 18.6 17.5 41.3 35 36 A A E < - 0 0 0 -3,-2.0 13,-2.4 12,-0.1 2,-0.4 -0.185 37.6-136.7 -64.7 159.0 15.8 17.8 38.8 36 37 A T E -aB 111 47A 31 74,-1.9 76,-1.6 11,-0.2 2,-0.4 -0.968 14.5-165.2-120.1 137.3 15.6 20.8 36.4 37 38 A V E -aB 112 46A 2 9,-2.2 9,-2.6 -2,-0.4 2,-0.5 -0.989 8.4-174.9-124.6 129.9 12.3 22.6 35.7 38 39 A E E -a 113 0A 35 74,-2.4 76,-2.8 -2,-0.4 3,-0.3 -0.940 15.5-174.7-124.2 103.9 11.8 25.1 32.8 39 40 A D S S+ 0 0 41 1,-0.5 2,-0.1 -2,-0.5 76,-0.1 -0.875 81.1 20.9-150.3 105.3 8.3 26.5 33.1 40 41 A P S > S- 0 0 31 0, 0.0 3,-2.3 0, 0.0 -1,-0.5 0.546 104.8-123.8 -75.2 151.0 7.6 28.2 30.8 41 42 A F T 3 S+ 0 0 13 73,-2.5 156,-0.5 -3,-0.3 75,-0.3 -0.416 102.1 49.6 -57.4 132.4 10.2 26.7 28.6 42 43 A G T 3 S+ 0 0 37 1,-0.7 -1,-0.3 154,-0.1 73,-0.0 0.126 93.2 95.7 117.2 -19.8 12.3 29.7 27.6 43 44 A Q S < S- 0 0 111 -3,-2.3 -1,-0.7 1,-0.1 155,-0.0 -0.680 93.7 -74.6 -99.7 161.3 12.7 30.9 31.1 44 45 A P - 0 0 97 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.195 54.7-112.9 -53.3 137.3 15.7 30.2 33.3 45 46 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.402 23.9-139.4 -71.0 149.4 15.7 26.6 34.6 46 47 A I E -B 37 0A 33 -9,-2.6 -9,-2.2 -2,-0.1 2,-0.4 -0.911 20.0-145.8-108.9 144.5 15.1 26.1 38.4 47 48 A H E > +B 36 0A 103 -2,-0.4 4,-0.6 -11,-0.2 -11,-0.2 -0.917 44.7 7.0-120.4 137.8 17.3 23.4 40.1 48 49 A G H > S- 0 0 17 -13,-2.4 4,-2.6 -2,-0.4 -14,-0.2 0.240 82.9 -80.1 83.6 152.6 16.7 21.0 42.9 49 50 A R H > S+ 0 0 77 -16,-1.6 4,-2.8 1,-0.2 5,-0.2 0.754 124.6 58.8 -59.8 -30.4 13.7 20.0 45.0 50 51 A E H > S+ 0 0 151 -17,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.959 113.3 36.9 -66.2 -49.1 14.0 23.1 47.2 51 52 A Q H X S+ 0 0 100 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.859 117.7 51.7 -69.7 -35.8 13.7 25.5 44.3 52 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.930 111.6 48.0 -66.2 -41.7 11.2 23.3 42.6 53 54 A A H X S+ 0 0 6 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.925 112.5 47.7 -62.7 -48.0 9.2 23.2 45.9 54 55 A A H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.905 112.6 51.6 -59.3 -40.6 9.4 27.0 46.2 55 56 A F H X S+ 0 0 51 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.957 115.1 39.1 -61.0 -53.6 8.3 27.2 42.6 56 57 A Y H X S+ 0 0 13 -4,-2.9 4,-3.8 2,-0.2 -2,-0.2 0.814 114.1 54.8 -68.1 -32.6 5.2 25.0 43.0 57 58 A R H < S+ 0 0 133 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.909 111.3 46.2 -65.7 -39.4 4.5 26.5 46.4 58 59 A Q H < S+ 0 0 159 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.879 122.2 36.2 -69.0 -37.9 4.5 29.9 44.7 59 60 A G H < 0 0 36 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.831 360.0 360.0 -84.6 -34.1 2.4 28.6 41.8 60 61 A L < 0 0 66 -4,-3.8 -1,-0.2 -5,-0.2 -36,-0.2 -0.293 360.0 360.0-106.7 360.0 0.1 26.2 43.7 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 66 A V 0 0 72 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 143.4 -5.4 25.7 40.7 63 67 A R E -C 85 0A 141 22,-2.5 22,-3.4 -42,-0.1 2,-0.3 -0.955 360.0-176.3-130.4 150.2 -6.7 22.8 38.7 64 68 A A E +C 84 0A 5 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.997 4.7 171.2-146.9 148.1 -5.0 20.7 35.9 65 69 A C E -C 83 0A 84 18,-1.7 18,-2.4 -2,-0.3 2,-0.1 -0.985 37.9-100.8-157.4 146.8 -6.0 17.9 33.7 66 70 A L E -C 82 0A 54 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.412 22.1-166.4 -66.6 140.0 -4.7 16.0 30.6 67 71 A T S S+ 0 0 81 14,-2.4 15,-0.2 1,-0.2 -1,-0.1 0.315 74.8 3.2-107.9 4.8 -6.4 17.1 27.4 68 72 A G S S- 0 0 22 13,-0.8 -1,-0.2 151,-0.0 3,-0.1 -0.963 97.1 -62.3-173.7 169.9 -5.0 14.1 25.5 69 73 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.260 54.1-102.0 -68.4 153.3 -3.0 11.0 26.1 70 74 A V - 0 0 6 10,-0.1 2,-0.6 -61,-0.1 10,-0.2 -0.591 30.5-140.6 -71.9 129.2 0.6 11.0 27.3 71 75 A R E -D 79 0A 3 8,-3.3 8,-2.4 -2,-0.3 2,-0.3 -0.865 28.3-170.3 -90.6 122.8 2.9 10.3 24.3 72 76 A A E -D 78 0A 0 -2,-0.6 6,-0.3 6,-0.2 171,-0.2 -0.895 12.6-158.0-120.3 150.5 5.6 8.1 25.7 73 77 A S - 0 0 1 4,-2.4 3,-0.3 -2,-0.3 -65,-0.2 -0.370 31.7-110.4-107.5-171.3 9.0 6.9 24.3 74 78 A H S S+ 0 0 106 90,-0.5 91,-0.1 1,-0.2 -69,-0.1 0.354 107.3 68.7-105.2 3.7 11.1 3.9 25.1 75 79 A N S S- 0 0 40 89,-0.2 -1,-0.2 2,-0.1 28,-0.2 -0.170 122.5 -90.9-113.0 39.8 13.9 5.9 26.7 76 80 A G S S+ 0 0 0 -73,-0.4 27,-3.4 -3,-0.3 2,-0.3 0.761 91.2 115.7 61.7 30.9 11.9 7.0 29.7 77 81 A C E + E 0 102A 2 25,-0.2 -4,-2.4 87,-0.1 2,-0.3 -0.775 32.7 164.5-124.1 167.9 10.5 10.2 28.2 78 82 A G E -DE 72 101A 0 23,-2.0 23,-2.6 -2,-0.3 2,-0.4 -0.976 23.2-142.4-174.1 163.1 7.1 11.5 27.3 79 83 A A E -DE 71 100A 0 -8,-2.4 -8,-3.3 -2,-0.3 21,-0.2 -0.982 18.3-171.1-138.4 146.1 5.1 14.6 26.5 80 84 A M E - E 0 99A 0 19,-2.1 19,-2.1 -2,-0.4 2,-0.4 -1.000 16.8-139.4-143.5 141.1 1.6 15.4 27.6 81 85 A P E + E 0 98A 3 0, 0.0 -14,-2.4 0, 0.0 -13,-0.8 -0.815 36.1 153.2 -99.5 138.0 -0.9 18.0 26.7 82 86 A F E -CE 66 97A 10 15,-2.7 15,-2.9 -2,-0.4 2,-0.4 -0.968 36.3-124.4-155.0 169.2 -3.0 19.5 29.5 83 87 A R E -CE 65 96A 92 -18,-2.4 -18,-1.7 -2,-0.3 2,-0.5 -0.971 14.9-153.3-123.2 136.1 -4.9 22.5 30.6 84 88 A V E -CE 64 95A 16 11,-3.1 11,-2.9 -2,-0.4 2,-0.5 -0.924 8.7-158.6-109.7 129.4 -4.3 24.5 33.8 85 89 A E E +CE 63 94A 77 -22,-3.4 -22,-2.5 -2,-0.5 2,-0.3 -0.932 20.2 161.8-111.9 127.8 -7.2 26.4 35.3 86 90 A M E - E 0 93A 34 7,-1.9 7,-3.5 -2,-0.5 2,-0.4 -0.984 44.9-133.9-142.6 148.7 -6.6 29.3 37.6 87 91 A V + 0 0 104 -2,-0.3 3,-0.4 5,-0.3 2,-0.3 -0.317 63.0 140.8 -96.4 47.5 -8.6 32.2 38.9 88 92 A W + 0 0 156 -2,-0.4 3,-0.2 1,-0.2 -2,-0.1 -0.664 51.4 36.9 -91.8 148.7 -5.5 34.3 38.2 89 93 A N S S- 0 0 136 -2,-0.3 2,-2.9 1,-0.2 -1,-0.2 0.857 128.8 -76.2 75.6 38.9 -5.7 37.8 36.7 90 94 A G S S+ 0 0 65 -3,-0.4 -1,-0.2 3,-0.0 3,-0.0 -0.215 121.7 66.0 71.4 -53.0 -8.9 38.4 38.8 91 95 A Q S S- 0 0 128 -2,-2.9 2,-0.1 -3,-0.2 -5,-0.1 -0.555 100.0 -88.9 -98.1 162.2 -11.0 36.3 36.5 92 96 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.465 52.0-177.6 -69.4 142.1 -10.8 32.6 35.9 93 97 A C E -E 86 0A 9 -7,-3.5 -7,-1.9 30,-0.1 2,-0.4 -0.896 20.5-137.4-136.5 166.9 -8.4 31.7 33.1 94 98 A A E -EF 85 122A 9 28,-2.3 28,-3.8 -2,-0.3 2,-0.5 -0.991 10.8-163.8-129.0 134.6 -7.2 28.7 31.2 95 99 A L E -EF 84 121A 12 -11,-2.9 -11,-3.1 -2,-0.4 2,-0.5 -0.976 10.0-149.4-121.7 120.4 -3.6 27.9 30.2 96 100 A D E +E 83 0A 21 24,-2.3 2,-0.3 -2,-0.5 21,-0.2 -0.768 28.6 170.6 -88.2 130.9 -2.9 25.2 27.6 97 101 A V E -E 82 0A 4 -15,-2.9 -15,-2.7 -2,-0.5 2,-0.4 -0.927 30.0-153.3-139.1 158.1 0.5 23.6 28.3 98 102 A I E -EG 81 115A 0 17,-1.3 17,-3.2 -2,-0.3 2,-0.5 -0.988 17.2-157.9-133.1 122.5 2.5 20.6 27.1 99 103 A D E -EG 80 114A 2 -19,-2.1 -19,-2.1 -2,-0.4 2,-0.5 -0.880 1.6-161.7-103.1 133.6 5.0 19.2 29.6 100 104 A V E -EG 79 113A 3 13,-3.0 13,-2.4 -2,-0.5 2,-0.3 -0.969 16.3-176.5-114.9 126.6 7.9 17.2 28.3 101 105 A M E -EG 78 112A 1 -23,-2.6 -23,-2.0 -2,-0.5 2,-0.4 -0.949 21.6-162.0-128.2 149.7 9.5 15.0 30.9 102 106 A R E -EG 77 111A 81 9,-1.8 8,-2.4 -2,-0.3 9,-1.7 -0.996 19.9-152.7-124.7 127.7 12.5 12.7 31.0 103 107 A F E - G 0 109A 2 -27,-3.4 6,-0.2 -2,-0.4 2,-0.1 -0.721 9.6-131.2-100.9 157.5 12.6 10.2 33.9 104 108 A D > - 0 0 23 4,-2.7 3,-2.1 -2,-0.3 -1,-0.1 -0.277 39.1 -80.3 -97.3-174.9 15.7 8.8 35.5 105 109 A E T 3 S+ 0 0 122 1,-0.3 -103,-0.1 -103,-0.2 -29,-0.0 0.463 128.5 52.1 -67.7 -1.0 16.7 5.2 36.3 106 110 A H T 3 S- 0 0 123 2,-0.2 -1,-0.3 -105,-0.1 -104,-0.1 0.232 120.3-104.6-115.9 10.3 14.6 5.3 39.5 107 111 A G S < S+ 0 0 18 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.808 79.8 130.8 72.3 28.6 11.5 6.5 37.8 108 112 A R - 0 0 103 -77,-0.0 -4,-2.7 -105,-0.0 2,-0.6 -0.786 68.3 -94.3-110.5 159.1 11.8 10.1 39.1 109 113 A I E +aG 31 103A 0 -79,-3.3 -77,-2.9 -2,-0.3 -6,-0.2 -0.622 38.9 174.8 -77.9 117.8 11.6 13.2 37.0 110 114 A Q E S+ 0 0 83 -8,-2.4 -74,-1.9 -2,-0.6 2,-0.3 0.856 70.0 4.3 -85.7 -43.9 15.0 14.3 35.8 111 115 A T E -aG 36 102A 34 -9,-1.7 -9,-1.8 -76,-0.2 2,-0.4 -0.996 57.8-173.6-144.8 150.2 13.8 17.2 33.6 112 116 A M E -aG 37 101A 0 -76,-1.6 -74,-2.4 -2,-0.3 2,-0.5 -0.984 2.7-170.7-145.4 132.5 10.5 18.9 32.7 113 117 A Q E -aG 38 100A 42 -13,-2.4 -13,-3.0 -2,-0.4 2,-0.7 -0.998 9.4-158.2-123.4 124.9 9.9 21.6 30.1 114 118 A A E - 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