==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-10 3LHO . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 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 . 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 2 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 0 1 1 1 2 1 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 . 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 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 0 A G 0 0 85 0, 0.0 126,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.3 36.4 23.6 41.0 2 1 A X - 0 0 60 124,-0.2 125,-0.2 1,-0.2 126,-0.1 -0.262 360.0 -84.2 -86.6 159.9 33.9 24.0 38.1 3 2 A H - 0 0 33 124,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.274 28.8-163.3 -53.5 141.6 34.3 25.0 34.5 4 3 A T S S+ 0 0 137 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 0.527 73.2 65.3-100.9 -14.2 34.3 28.8 34.0 5 4 A D > - 0 0 77 1,-0.1 4,-1.8 2,-0.0 -1,-0.1 -0.954 67.0-152.5-120.7 125.0 33.6 28.6 30.2 6 5 A V H > S+ 0 0 17 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.879 97.9 53.1 -61.6 -39.3 30.3 27.3 28.8 7 6 A N H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 108.1 50.3 -65.6 -42.7 31.8 26.1 25.6 8 7 A A H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 108.9 53.0 -60.8 -38.5 34.5 24.1 27.4 9 8 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.957 112.7 42.0 -64.0 -51.4 31.8 22.4 29.6 10 9 A F H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.882 111.5 56.3 -64.6 -35.9 29.7 21.2 26.6 11 10 A A H X S+ 0 0 56 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.0 43.1 -55.5 -48.0 32.9 20.2 24.7 12 11 A A H X S+ 0 0 23 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.894 113.9 50.1 -70.3 -38.3 33.9 18.0 27.6 13 12 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 150,-0.3 0.900 112.3 47.9 -64.6 -43.4 30.4 16.6 28.1 14 13 A W H X S+ 0 0 33 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.907 107.3 55.0 -63.8 -43.7 30.1 15.8 24.4 15 14 A Q H X S+ 0 0 109 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.911 113.5 43.0 -58.0 -39.9 33.5 14.1 24.3 16 15 A D H >X S+ 0 0 18 -4,-1.8 4,-0.7 1,-0.2 3,-0.6 0.912 112.8 52.6 -68.9 -45.9 32.3 11.8 27.1 17 16 A Y H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.8 0.844 102.8 56.3 -57.7 -43.5 28.9 11.3 25.6 18 17 A I H 3< S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.3 7,-0.2 0.738 96.2 65.9 -68.7 -21.2 30.1 10.2 22.2 19 18 A K H << S+ 0 0 154 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.863 113.7 32.0 -61.7 -38.1 32.1 7.4 23.8 20 19 A X H << S+ 0 0 2 -3,-0.8 212,-0.4 -4,-0.7 -2,-0.2 0.709 128.7 43.2 -82.2 -26.4 28.8 5.9 24.8 21 20 A T >X + 0 0 0 -4,-1.6 3,-1.3 1,-0.1 4,-1.2 -0.622 56.2 164.9-131.5 67.7 27.0 7.1 21.7 22 21 A P H 3> S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.820 77.7 66.4 -56.4 -30.4 29.1 6.7 18.5 23 22 A S H 3> S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.859 97.0 54.4 -57.1 -39.0 26.0 7.3 16.5 24 23 A A H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.906 105.6 51.8 -62.7 -41.9 25.9 10.9 17.8 25 24 A A H X S+ 0 0 38 -4,-1.2 4,-2.0 -7,-0.2 -2,-0.2 0.955 114.4 43.8 -62.2 -41.2 29.5 11.4 16.6 26 25 A K H X S+ 0 0 139 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.928 114.5 46.6 -70.3 -46.2 28.5 10.2 13.1 27 26 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.885 109.1 56.6 -65.7 -36.3 25.2 12.1 12.8 28 27 A H H X S+ 0 0 36 -4,-2.6 4,-2.1 -5,-0.2 6,-0.4 0.948 110.8 44.1 -56.7 -50.3 26.9 15.3 14.0 29 28 A Q H X S+ 0 0 110 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.928 113.4 52.1 -59.2 -46.5 29.4 15.0 11.1 30 29 A L H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 117.2 36.0 -55.2 -49.5 26.6 14.1 8.7 31 30 A L H < S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 128.2 33.1 -78.6 -32.2 24.4 17.1 9.5 32 31 A G H >< S- 0 0 9 -4,-2.1 3,-2.4 -5,-0.3 -2,-0.2 0.540 88.7-138.6-105.5 -10.9 27.1 19.7 10.1 33 32 A H T 3< S- 0 0 113 -4,-2.1 -4,-0.1 1,-0.3 -3,-0.1 0.796 83.5 -40.9 56.6 31.4 29.8 18.6 7.6 34 33 A G T 3 S+ 0 0 51 1,-0.4 -1,-0.3 -6,-0.4 -5,-0.1 0.201 117.9 115.1 99.1 -16.7 32.4 19.3 10.3 35 34 A A S < S- 0 0 50 -3,-2.4 -1,-0.4 -6,-0.2 -3,-0.1 -0.581 78.4 -97.6 -76.6 149.2 30.8 22.6 11.6 36 35 A P - 0 0 116 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.358 38.0-138.4 -64.7 150.6 29.4 22.7 15.1 37 36 A I - 0 0 18 -3,-0.1 2,-0.5 136,-0.0 136,-0.1 -0.903 17.4-114.7-110.3 138.5 25.7 22.0 15.2 38 37 A I - 0 0 47 -2,-0.4 131,-2.6 131,-0.2 2,-0.4 -0.638 31.1-144.5 -76.6 128.2 23.4 24.1 17.5 39 38 A N E -A 168 0A 26 51,-0.5 129,-0.3 -2,-0.5 54,-0.2 -0.712 13.0-154.9 -92.3 138.0 21.8 21.9 20.2 40 39 A D E S- 0 0 9 127,-2.9 53,-2.4 -2,-0.4 2,-0.3 0.899 73.3 -31.8 -68.5 -44.7 18.3 22.4 21.5 41 40 A H E -Ab 167 93A 4 126,-1.2 126,-2.8 51,-0.3 2,-0.3 -0.980 43.6-133.5-164.0 163.5 19.2 20.8 24.9 42 41 A I E -Ab 166 94A 0 51,-1.6 53,-2.5 -2,-0.3 2,-0.4 -0.852 24.5-144.6-115.9 158.7 21.1 18.3 26.9 43 42 A A E -Ab 165 95A 5 122,-1.8 121,-2.7 -2,-0.3 122,-1.0 -0.998 15.3-177.0-128.1 130.9 19.5 16.1 29.6 44 43 A L E - b 0 96A 3 51,-2.5 53,-2.1 -2,-0.4 2,-0.3 -0.882 8.1-156.0-123.6 157.2 21.0 15.0 32.9 45 44 A R E + b 0 97A 57 117,-0.3 2,-0.3 -2,-0.3 53,-0.2 -0.939 20.8 145.3-132.7 152.4 19.6 12.7 35.6 46 45 A T E - b 0 98A 0 51,-0.7 53,-2.5 -2,-0.3 2,-0.3 -0.895 41.0 -94.0-163.3-173.0 20.1 12.1 39.3 47 46 A F E - b 0 99A 0 5,-0.3 2,-1.6 51,-0.3 53,-0.2 -0.856 36.0-109.1-111.0 157.6 18.4 11.2 42.6 48 47 A N S S+ 0 0 37 51,-2.2 2,-0.5 -2,-0.3 5,-0.1 -0.170 75.5 127.5 -79.1 47.9 16.8 13.4 45.2 49 48 A I >> - 0 0 20 -2,-1.6 3,-2.4 1,-0.1 4,-0.6 -0.926 67.5-125.5-106.4 127.4 19.6 12.6 47.7 50 49 A A G >4 S+ 0 0 79 -2,-0.5 3,-1.0 1,-0.3 6,-0.2 0.843 105.3 59.9 -46.0 -47.6 21.1 15.9 49.1 51 50 A K G 34 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.795 126.2 14.9 -52.5 -30.8 24.7 15.0 48.1 52 51 A V G <4 S+ 0 0 0 -3,-2.4 -5,-0.3 -5,-0.2 -1,-0.2 0.118 92.7 143.9-136.0 23.1 23.8 14.7 44.4 53 52 A N XX - 0 0 43 -3,-1.0 4,-1.6 -4,-0.6 3,-0.6 0.111 68.5 -88.3 -72.3 175.4 20.4 16.4 44.0 54 53 A L H 3> S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.909 127.4 53.5 -45.7 -44.4 19.0 18.5 41.1 55 54 A S H 3> S+ 0 0 79 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.824 104.3 55.4 -68.3 -34.2 20.4 21.7 42.7 56 55 A V H <4 S+ 0 0 34 -3,-0.6 4,-0.4 1,-0.2 -1,-0.3 0.904 112.6 40.9 -65.9 -44.4 23.9 20.2 43.0 57 56 A L H >< S+ 0 0 2 -4,-1.6 3,-1.4 -3,-0.2 4,-0.3 0.897 110.8 59.0 -66.6 -42.9 24.1 19.4 39.3 58 57 A A H >X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.3 3,-2.2 0.818 91.1 69.2 -59.5 -30.2 22.4 22.7 38.4 59 58 A K H 3X S+ 0 0 131 -4,-1.5 4,-1.6 1,-0.3 -1,-0.3 0.764 88.0 65.7 -61.9 -27.2 25.2 24.7 40.1 60 59 A H H <4 S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.730 115.1 30.5 -64.7 -20.2 27.6 23.6 37.3 61 60 A F H X4>S+ 0 0 0 -3,-2.2 5,-2.2 -4,-0.3 3,-1.5 0.793 115.3 54.0-106.8 -42.0 25.4 25.6 35.0 62 61 A T H ><5S+ 0 0 49 -4,-2.7 3,-1.2 1,-0.3 -3,-0.2 0.831 101.6 64.2 -66.6 -24.6 24.0 28.5 37.1 63 62 A S T 3<5S+ 0 0 57 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 0.682 107.1 41.7 -70.8 -17.2 27.6 29.4 38.0 64 63 A I T < 5S- 0 0 25 -3,-1.5 -1,-0.3 -5,-0.1 -58,-0.2 -0.040 136.1 -72.7-120.4 25.1 28.4 30.2 34.3 65 64 A G T < 5S+ 0 0 32 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.310 80.5 139.4 110.7 -7.1 25.2 32.1 33.5 66 65 A Y < - 0 0 7 -5,-2.2 2,-0.4 20,-0.1 -1,-0.3 -0.408 36.6-150.5 -68.8 147.7 22.3 29.7 33.2 67 66 A V E -C 85 0A 90 18,-2.8 18,-2.2 -2,-0.1 2,-0.2 -0.957 23.9-105.0-123.9 135.4 19.0 30.8 34.7 68 67 A D E +C 84 0A 80 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.424 48.3 163.8 -55.4 121.2 16.2 28.8 36.2 69 68 A S E + 0 0 45 14,-2.7 2,-0.2 1,-0.3 15,-0.2 0.367 50.8 14.5-131.6 -1.4 13.5 28.8 33.5 70 69 A G E -C 83 0A 18 13,-0.9 13,-1.7 2,-0.0 2,-0.4 -0.844 50.4-149.7-179.5 138.1 10.9 26.0 34.1 71 70 A D E -C 82 0A 116 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.943 22.5-179.5-116.4 137.1 9.7 23.5 36.8 72 71 A Y E -C 81 0A 53 9,-3.2 9,-2.8 -2,-0.4 2,-0.4 -0.987 17.1-160.9-137.8 146.4 8.2 20.1 35.9 73 72 A K E -C 80 0A 129 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.998 3.1-165.5-124.2 131.6 6.7 17.1 37.7 74 73 A F E >> -C 79 0A 60 5,-3.2 5,-2.5 -2,-0.4 4,-0.7 -0.906 7.1-174.5-114.6 103.1 6.4 13.7 36.0 75 74 A E T >45S+ 0 0 112 -2,-0.6 3,-0.9 1,-0.2 -1,-0.2 0.926 77.4 48.4 -68.9 -47.7 4.1 11.6 38.1 76 75 A Q T 345S+ 0 0 182 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.872 118.1 41.2 -62.5 -39.2 4.2 8.2 36.4 77 76 A K T 345S- 0 0 145 2,-0.1 -1,-0.3 73,-0.0 -2,-0.2 0.485 108.8-124.0 -88.0 -5.0 8.0 8.2 36.2 78 77 A K T <<5 + 0 0 63 -3,-0.9 22,-3.0 -4,-0.7 2,-0.4 0.930 63.7 137.3 63.9 49.5 8.3 9.6 39.8 79 78 A L E < -CD 74 99A 13 -5,-2.5 -5,-3.2 20,-0.2 2,-0.4 -0.935 42.7-164.8-127.6 145.5 10.4 12.6 38.6 80 79 A I E +CD 73 98A 53 18,-1.9 18,-2.4 -2,-0.4 2,-0.3 -0.936 23.8 173.2-118.0 154.4 10.8 16.3 39.2 81 80 A A E -CD 72 97A 3 -9,-2.8 -9,-3.2 -2,-0.4 2,-0.3 -0.983 19.6-161.6-150.9 167.3 12.8 18.4 36.8 82 81 A K E -CD 71 96A 39 14,-2.2 14,-3.0 -2,-0.3 2,-0.4 -0.964 13.0-142.0-142.7 156.0 13.8 21.9 35.8 83 82 A H E -CD 70 95A 0 -13,-1.7 -14,-2.7 -2,-0.3 -13,-0.9 -0.929 11.8-154.8-121.2 151.2 15.2 23.5 32.7 84 83 A F E -CD 68 94A 6 10,-2.0 10,-2.3 -2,-0.4 2,-0.3 -0.944 2.7-155.4-124.7 143.9 17.8 26.3 32.5 85 84 A E E -C 67 0A 66 -18,-2.2 -18,-2.8 -2,-0.3 8,-0.1 -0.921 6.7-144.5-124.4 143.3 18.5 28.8 29.8 86 85 A H - 0 0 42 -2,-0.3 -20,-0.1 2,-0.3 5,-0.1 -0.753 25.4-120.4-103.9 148.9 21.7 30.8 28.9 87 86 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.782 100.4 76.5 -61.9 -26.0 21.6 34.4 27.6 88 87 A D S > S- 0 0 54 1,-0.1 3,-2.1 4,-0.1 -2,-0.3 -0.787 75.0-152.9 -84.3 113.3 23.4 33.2 24.4 89 88 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.686 90.3 68.9 -64.9 -15.8 20.7 31.5 22.2 90 89 A K T 3 S+ 0 0 140 2,-0.1 -51,-0.5 -52,-0.1 -2,-0.0 0.697 84.9 88.6 -68.1 -21.8 23.4 29.3 20.6 91 90 A Q S < S- 0 0 24 -3,-2.1 -5,-0.2 -53,-0.1 2,-0.1 -0.523 86.4-109.0 -82.3 144.9 23.9 27.5 23.9 92 91 A P - 0 0 6 0, 0.0 -51,-0.3 0, 0.0 2,-0.2 -0.374 26.5-111.6 -67.5 151.0 21.7 24.5 24.7 93 92 A K E -b 41 0A 33 -53,-2.4 -51,-1.6 -54,-0.2 2,-0.5 -0.532 32.7-133.2 -66.2 153.4 18.9 24.5 27.2 94 93 A V E -bD 42 84A 0 -10,-2.3 -10,-2.0 -53,-0.2 2,-0.5 -0.954 18.0-167.5-119.5 115.6 19.8 22.3 30.1 95 94 A F E -bD 43 83A 28 -53,-2.5 -51,-2.5 -2,-0.5 2,-0.5 -0.931 8.5-178.7-106.0 122.3 17.2 19.8 31.4 96 95 A I E +bD 44 82A 0 -14,-3.0 -14,-2.2 -2,-0.5 2,-0.3 -0.986 1.5 179.2-127.5 121.4 17.9 18.2 34.8 97 96 A S E -bD 45 81A 6 -53,-2.1 -51,-0.7 -2,-0.5 2,-0.3 -0.804 10.3-159.2-116.7 161.3 15.6 15.7 36.4 98 97 A E E -bD 46 80A 18 -18,-2.4 -18,-1.9 -2,-0.3 -51,-0.3 -0.982 19.7-124.3-139.7 137.2 15.8 13.8 39.7 99 98 A L E -bD 47 79A 0 -53,-2.5 -51,-2.2 -2,-0.3 2,-1.2 -0.546 22.9-126.3 -76.6 138.1 14.1 10.5 40.7 100 99 A L > - 0 0 22 -22,-3.0 3,-2.1 -2,-0.3 4,-0.1 -0.709 24.0-166.5 -87.5 98.0 12.0 10.7 43.9 101 100 A V G > S+ 0 0 0 -2,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.780 78.4 68.0 -61.5 -28.0 13.6 7.8 45.8 102 101 A E G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 7,-0.1 0.587 87.1 68.8 -67.4 -12.8 10.8 7.7 48.4 103 102 A E G < S+ 0 0 104 -3,-2.1 -1,-0.3 -25,-0.1 2,-0.2 0.468 91.9 76.5 -84.4 -1.6 8.4 6.5 45.8 104 103 A F S < S- 0 0 21 -3,-1.6 5,-0.1 1,-0.2 46,-0.0 -0.592 95.1 -73.0-109.6 168.1 10.1 3.1 45.4 105 104 A S > - 0 0 28 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.170 44.8-113.0 -52.8 147.3 10.3 -0.1 47.5 106 105 A P H > S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 119.3 55.4 -48.3 -37.2 12.3 0.0 50.7 107 106 A E H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.914 108.6 44.6 -67.9 -43.2 14.8 -2.4 49.1 108 107 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.913 111.9 53.7 -65.8 -39.7 15.3 -0.2 46.1 109 108 A Q H X S+ 0 0 51 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.942 109.8 47.9 -59.7 -46.1 15.7 2.9 48.3 110 109 A K H X S+ 0 0 170 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 112.2 49.4 -62.5 -41.7 18.4 1.1 50.3 111 110 A S H X S+ 0 0 33 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.909 111.7 47.4 -65.0 -42.5 20.2 0.1 47.2 112 111 A I H >X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-0.8 0.954 112.2 49.9 -65.9 -47.0 20.2 3.6 45.7 113 112 A H H 3X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.882 106.6 58.0 -57.1 -36.2 21.4 5.1 49.0 114 113 A G H 3< S+ 0 0 28 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.3 0.814 107.3 45.5 -63.8 -33.7 24.1 2.5 49.0 115 114 A L H X< S+ 0 0 7 -4,-1.3 3,-1.1 -3,-0.8 4,-0.3 0.916 114.2 47.2 -73.9 -45.4 25.4 3.6 45.6 116 115 A I H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.809 99.7 67.7 -71.2 -26.0 25.3 7.4 46.5 117 116 A D T 3< S+ 0 0 111 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.788 96.4 58.6 -59.9 -25.6 27.0 6.7 49.8 118 117 A Q T < S+ 0 0 85 -3,-1.1 2,-0.5 -4,-0.4 -1,-0.3 0.644 82.0 101.2 -82.4 -12.2 30.0 5.9 47.7 119 118 A V S < S- 0 0 2 -3,-1.5 2,-0.5 -4,-0.3 17,-0.1 -0.607 76.0-129.0 -71.5 118.5 30.1 9.3 46.0 120 119 A D >> - 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