==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-SEP-10 3ORD . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,S.FRANZEN . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 0 0 3 1 0 0 0 0 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G > 0 0 59 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-174.2 -15.5 21.5 -13.6 2 2 A F H > + 0 0 27 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.839 360.0 51.4 -44.0 -46.7 -14.1 18.3 -12.0 3 3 A K H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 110.9 48.1 -64.1 -41.6 -17.4 17.5 -10.2 4 4 A Q H > S+ 0 0 112 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.878 107.1 57.4 -62.2 -39.2 -19.3 17.9 -13.5 5 5 A D H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.795 102.5 54.5 -64.1 -31.1 -16.8 15.7 -15.2 6 6 A I H X S+ 0 0 2 -4,-1.3 4,-3.0 -5,-0.2 -1,-0.2 0.934 109.0 47.5 -68.2 -44.3 -17.5 12.9 -12.7 7 7 A A H X S+ 0 0 50 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.889 112.4 50.9 -57.5 -45.2 -21.2 13.2 -13.6 8 8 A T H X S+ 0 0 39 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.942 113.6 42.3 -57.8 -56.5 -20.3 13.1 -17.3 9 9 A I H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 7,-0.3 0.958 115.9 49.7 -56.5 -53.6 -18.1 9.9 -17.0 10 10 A R H >< S+ 0 0 84 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.867 102.5 63.4 -52.7 -42.0 -20.6 8.2 -14.7 11 11 A G H 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.842 124.1 15.4 -52.8 -39.9 -23.4 9.0 -17.2 12 12 A D T + 0 0 18 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.874 69.6 50.2 -53.4 -50.9 -19.4 4.8 -17.7 14 14 A R H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 113.1 46.4 -56.1 -46.0 -18.8 1.9 -20.1 15 15 A T H > S+ 0 0 55 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.948 118.3 39.1 -67.3 -53.6 -18.1 4.0 -23.1 16 16 A Y H X S+ 0 0 31 -4,-2.3 4,-2.7 -7,-0.3 5,-0.3 0.870 114.2 55.4 -61.8 -40.9 -15.6 6.5 -21.4 17 17 A A H X S+ 0 0 0 -4,-3.1 4,-1.4 -5,-0.3 -2,-0.2 0.886 115.2 38.5 -64.1 -35.7 -14.0 3.6 -19.4 18 18 A Q H X S+ 0 0 19 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.947 116.5 49.8 -78.2 -48.2 -13.3 1.7 -22.6 19 19 A D H X S+ 0 0 53 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.879 116.0 43.2 -58.0 -39.9 -12.3 4.7 -24.7 20 20 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.866 113.3 49.8 -76.3 -38.1 -9.9 6.0 -22.0 21 21 A F H X S+ 0 0 6 -4,-1.4 4,-2.7 -5,-0.3 5,-0.2 0.929 112.2 48.4 -65.6 -43.9 -8.4 2.6 -21.2 22 22 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.882 108.2 54.2 -64.2 -36.5 -7.8 1.9 -24.9 23 23 A A H X S+ 0 0 32 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.931 110.6 48.7 -60.4 -42.9 -6.2 5.4 -25.3 24 24 A F H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 113.5 43.5 -56.9 -54.2 -3.9 4.4 -22.4 25 25 A L H < S+ 0 0 1 -4,-2.7 7,-0.2 1,-0.2 6,-0.2 0.870 117.5 48.3 -62.4 -34.7 -2.9 1.0 -23.9 26 26 A N H < S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 113.9 43.5 -77.3 -43.0 -2.5 2.6 -27.3 27 27 A K H < S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.881 129.7 29.3 -64.7 -40.5 -0.4 5.6 -26.1 28 28 A Y S >< S+ 0 0 56 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.3 -0.688 72.0 173.7-121.7 78.3 1.7 3.3 -23.9 29 29 A P G > S+ 0 0 93 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.746 72.1 68.0 -66.6 -25.7 1.7 -0.2 -25.6 30 30 A D G > S+ 0 0 114 1,-0.3 3,-0.9 2,-0.2 4,-0.1 0.742 89.6 70.0 -66.1 -15.2 4.2 -1.8 -23.2 31 31 A E G X S+ 0 0 8 -3,-1.9 3,-1.2 1,-0.2 -1,-0.3 0.615 77.6 77.2 -70.6 -15.1 1.4 -1.5 -20.5 32 32 A R G X S+ 0 0 39 -3,-1.9 3,-2.6 -7,-0.2 6,-0.3 0.843 77.7 76.9 -63.5 -28.4 -0.6 -4.2 -22.3 33 33 A R G < S+ 0 0 137 -3,-0.9 -1,-0.2 -4,-0.4 3,-0.2 0.705 85.1 58.9 -55.1 -25.1 1.8 -6.7 -20.7 34 34 A Y G < S+ 0 0 80 -3,-1.2 2,-0.4 1,-0.2 -1,-0.3 0.559 103.7 58.3 -77.7 -10.3 -0.0 -6.3 -17.3 35 35 A F X + 0 0 43 -3,-2.6 3,-2.0 -4,-0.2 4,-0.3 -0.727 67.2 177.3-124.0 79.0 -3.1 -7.5 -19.1 36 36 A K G > S+ 0 0 183 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.750 77.8 56.4 -54.0 -36.5 -2.3 -11.0 -20.6 37 37 A N G 3 S+ 0 0 69 1,-0.2 -1,-0.3 3,-0.0 15,-0.1 0.544 102.2 55.8 -77.7 -11.0 -5.7 -11.6 -22.0 38 38 A Y G X S+ 0 0 6 -3,-2.0 3,-1.0 -6,-0.3 2,-0.4 0.377 77.9 117.9-103.2 3.1 -5.7 -8.4 -24.1 39 39 A V T < S+ 0 0 90 -3,-0.8 -3,-0.0 -4,-0.3 -6,-0.0 -0.570 81.5 11.3 -69.1 121.5 -2.4 -9.2 -25.9 40 40 A G T 3 S+ 0 0 71 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.690 99.3 117.9 89.7 22.2 -3.0 -9.5 -29.7 41 41 A K < - 0 0 74 -3,-1.0 -1,-0.3 2,-0.0 2,-0.0 -0.933 57.4-124.3-127.5 142.5 -6.5 -8.1 -30.0 42 42 A S > - 0 0 59 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.298 34.5-103.4 -75.6 164.6 -8.0 -5.1 -31.8 43 43 A D H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.920 125.9 43.5 -51.3 -47.5 -10.1 -2.3 -30.1 44 44 A Q H 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.850 110.1 55.2 -69.9 -38.2 -13.2 -3.9 -31.5 45 45 A E H >4 S+ 0 0 103 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.788 108.0 50.2 -62.4 -30.4 -12.2 -7.4 -30.6 46 46 A L H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 6,-0.3 0.851 97.4 67.5 -77.2 -38.0 -11.7 -6.4 -27.0 47 47 A K T 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.350 102.7 48.1 -62.5 1.5 -15.2 -4.8 -26.8 48 48 A S T < S+ 0 0 98 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.3 0.266 84.8 98.7-125.9 3.4 -16.7 -8.3 -27.1 49 49 A M S X> S- 0 0 51 -3,-1.8 4,-1.2 1,-0.1 3,-0.8 -0.857 73.2-140.1 -85.4 126.5 -14.6 -10.0 -24.5 50 50 A A H 3> S+ 0 0 78 -2,-0.6 4,-1.7 1,-0.2 3,-0.2 0.883 96.7 50.0 -56.7 -45.5 -16.8 -10.1 -21.4 51 51 A K H 3> S+ 0 0 160 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.715 101.1 64.4 -71.2 -20.9 -14.1 -9.3 -18.9 52 52 A F H <> S+ 0 0 0 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.942 109.1 37.8 -64.9 -49.7 -12.7 -6.3 -20.8 53 53 A G H X S+ 0 0 2 -4,-1.2 4,-1.9 -7,-0.3 -2,-0.2 0.863 119.2 49.5 -70.0 -37.1 -16.0 -4.3 -20.4 54 54 A D H X S+ 0 0 74 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.965 114.6 44.6 -63.8 -51.5 -16.4 -5.6 -16.9 55 55 A H H X S+ 0 0 49 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.932 114.6 46.8 -55.0 -55.4 -12.8 -4.7 -16.0 56 56 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.921 113.1 49.1 -59.6 -45.4 -12.8 -1.2 -17.5 57 57 A E H X S+ 0 0 68 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.870 112.6 47.5 -61.7 -40.8 -16.1 -0.3 -16.0 58 58 A K H X S+ 0 0 142 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.769 110.7 51.7 -69.0 -31.5 -15.0 -1.4 -12.5 59 59 A V H X S+ 0 0 52 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 115.4 40.8 -68.9 -46.0 -11.7 0.4 -12.8 60 60 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.804 110.1 57.7 -81.5 -28.8 -13.4 3.7 -13.7 61 61 A N H X S+ 0 0 81 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.972 112.4 41.9 -53.5 -54.9 -16.2 3.2 -11.2 62 62 A L H X S+ 0 0 55 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.908 113.8 51.8 -62.5 -48.2 -13.5 3.0 -8.5 63 63 A M H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.837 110.5 49.9 -47.9 -41.0 -11.5 5.9 -10.0 64 64 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.828 109.5 50.8 -72.2 -34.5 -14.7 8.0 -10.0 65 65 A E H X S+ 0 0 66 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.849 111.8 46.6 -68.3 -38.6 -15.4 7.1 -6.4 66 66 A V H X S+ 0 0 4 -4,-2.2 4,-1.1 2,-0.2 10,-0.3 0.925 111.3 52.4 -71.0 -42.2 -11.9 8.2 -5.5 67 67 A A H < S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.871 109.9 50.4 -55.6 -42.3 -12.4 11.3 -7.5 68 68 A D H < S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 108.8 48.6 -70.2 -34.4 -15.6 12.1 -5.7 69 69 A R H < S+ 0 0 101 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.573 93.0 103.6 -85.2 -14.3 -14.2 11.6 -2.1 70 70 A A < - 0 0 18 -4,-1.1 2,-0.5 -3,-0.3 3,-0.1 -0.271 65.6-141.1 -57.0 148.3 -11.3 13.9 -3.0 71 71 A T B > S-A 74 0A 47 3,-2.3 3,-1.9 1,-0.2 141,-0.1 -0.991 82.1 -14.6-116.2 124.3 -11.2 17.5 -1.8 72 72 A D T 3 S- 0 0 44 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.943 131.2 -53.0 49.1 51.4 -9.8 20.1 -4.2 73 73 A C T 3 S+ 0 0 5 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.606 111.3 126.5 59.1 16.2 -8.4 17.2 -6.3 74 74 A V B < -A 71 0A 23 -3,-1.9 -3,-2.3 136,-0.1 -1,-0.2 -0.930 53.0-142.2-103.1 116.8 -6.6 15.7 -3.3 75 75 A P - 0 0 11 0, 0.0 -5,-0.1 0, 0.0 -8,-0.1 -0.399 24.3 -94.6 -77.7 154.3 -7.6 12.1 -2.7 76 76 A L > - 0 0 76 -10,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.388 26.9-129.1 -61.3 139.5 -8.1 10.4 0.6 77 77 A A H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.881 110.2 55.0 -53.0 -42.9 -5.0 8.7 2.0 78 78 A S H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.808 105.6 51.0 -66.9 -34.3 -7.1 5.6 2.6 79 79 A D H > S+ 0 0 14 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.929 110.9 48.1 -64.6 -47.5 -8.2 5.5 -1.1 80 80 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.4 0.947 109.8 55.5 -53.4 -46.8 -4.6 5.8 -2.1 81 81 A N H X S+ 0 0 69 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.846 104.3 51.6 -55.3 -41.0 -4.0 3.0 0.4 82 82 A T H X S+ 0 0 61 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.856 107.3 53.6 -67.5 -32.4 -6.5 0.7 -1.2 83 83 A L H < S+ 0 0 18 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.802 112.7 43.6 -73.8 -30.1 -4.9 1.2 -4.6 84 84 A V H < S+ 0 0 31 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.3 46.7 -73.4 -47.0 -1.5 0.1 -3.3 85 85 A Q H < S+ 0 0 137 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.431 81.7 114.5 -86.8 1.4 -2.6 -2.9 -1.3 86 86 A M >< - 0 0 44 -4,-0.8 3,-2.1 1,-0.1 4,-0.3 -0.555 69.7-130.9 -70.7 132.2 -4.9 -4.5 -3.9 87 87 A K G > S+ 0 0 177 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.886 106.3 59.2 -44.8 -50.0 -3.5 -7.9 -5.1 88 88 A Q G 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.672 107.6 47.5 -56.3 -22.6 -4.0 -6.9 -8.7 89 89 A H G X S+ 0 0 38 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.320 73.3 108.6-105.2 4.5 -1.6 -4.0 -8.2 90 90 A S T < S+ 0 0 103 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.1 0.817 83.5 48.0 -54.8 -31.8 1.3 -5.7 -6.3 91 91 A S T 3 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.478 94.2 107.6 -86.9 -1.2 3.6 -5.3 -9.4 92 92 A L < - 0 0 29 -3,-2.1 45,-0.4 -8,-0.1 2,-0.3 -0.491 47.7-162.9 -90.5 145.5 2.8 -1.7 -10.1 93 93 A T >> - 0 0 61 -2,-0.2 3,-1.4 44,-0.2 4,-0.7 -0.719 40.7-104.1-109.4 168.8 4.9 1.5 -9.7 94 94 A T H 3> S+ 0 0 25 1,-0.3 4,-2.6 -2,-0.3 3,-0.2 0.742 116.9 72.5 -61.9 -22.1 3.6 5.1 -9.6 95 95 A G H 3> S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.801 91.3 56.7 -60.9 -31.9 4.9 5.4 -13.1 96 96 A N H <> S+ 0 0 15 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.879 109.9 43.6 -67.7 -39.7 2.1 3.2 -14.4 97 97 A F H X S+ 0 0 17 -4,-0.7 4,-2.7 2,-0.2 5,-0.3 0.903 106.9 59.3 -75.0 -42.2 -0.5 5.6 -12.9 98 98 A E H X S+ 0 0 99 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.908 108.1 48.8 -46.7 -45.3 1.3 8.6 -14.2 99 99 A K H X S+ 0 0 71 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.913 107.3 52.3 -66.1 -47.9 0.8 7.1 -17.7 100 100 A L H X S+ 0 0 23 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.938 113.5 45.4 -52.5 -48.1 -2.9 6.3 -17.2 101 101 A F H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.779 110.3 52.2 -73.3 -24.9 -3.5 10.0 -16.2 102 102 A V H X S+ 0 0 66 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.928 114.4 43.9 -74.3 -44.7 -1.4 11.4 -19.0 103 103 A A H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.863 114.4 51.4 -62.2 -36.1 -3.4 9.3 -21.4 104 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.944 112.3 44.0 -68.6 -48.0 -6.6 10.3 -19.6 105 105 A V H X S+ 0 0 18 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.905 112.7 52.7 -60.8 -41.3 -5.8 14.1 -19.7 106 106 A E H X S+ 0 0 109 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.901 108.7 51.5 -61.8 -41.6 -4.8 13.7 -23.4 107 107 A Y H X S+ 0 0 47 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.939 109.5 49.2 -57.0 -51.9 -8.1 12.0 -24.1 108 108 A M H < S+ 0 0 2 -4,-2.4 5,-0.4 1,-0.2 3,-0.3 0.938 111.6 47.9 -56.1 -48.6 -10.0 14.9 -22.4 109 109 A R H < S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.2 50.6 -63.5 -30.5 -8.2 17.6 -24.4 110 110 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.768 95.3 84.2 -81.0 -27.9 -8.8 15.7 -27.7 111 111 A S S < S- 0 0 26 -4,-1.9 4,-0.1 -3,-0.3 -3,-0.0 -0.283 88.7-121.5 -65.8 161.6 -12.5 15.3 -27.1 112 112 A G S S+ 0 0 85 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.177 80.0 115.3 -82.7 20.6 -14.7 18.2 -28.1 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