==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-12 4I6K . COMPND 2 MOLECULE: AMIDOHYDROLASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 1 2 2 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A M 0 0 43 0, 0.0 3,-0.2 0, 0.0 261,-0.2 0.000 360.0 360.0 360.0 34.5 35.4 -21.5 14.8 2 4 A N + 0 0 120 1,-0.2 2,-0.4 260,-0.1 260,-0.1 0.934 360.0 16.4 -71.2 -47.0 36.7 -19.9 17.9 3 5 A C S S- 0 0 21 39,-0.1 41,-2.6 255,-0.1 42,-1.8 -0.929 70.7-173.8-145.6 113.3 36.5 -16.2 17.0 4 6 A I E -a 45 0A 0 253,-2.3 2,-0.7 -2,-0.4 217,-0.3 -0.900 19.9-158.8-125.1 126.3 34.5 -14.8 14.1 5 7 A D E -a 46 0A 0 40,-2.7 42,-2.5 -2,-0.4 217,-0.2 -0.901 15.4-172.7 -98.7 111.3 34.2 -11.3 12.5 6 8 A T E + 0 0 0 215,-2.5 216,-0.2 -2,-0.7 2,-0.2 0.263 61.9 49.4 -96.5 13.4 30.9 -11.4 10.7 7 9 A H E + 0 0 0 214,-0.1 217,-2.9 2,-0.0 218,-0.6 -0.637 62.3 118.6-158.7 94.4 30.9 -8.1 8.8 8 10 A A E -ab 48 225A 0 39,-1.6 41,-2.4 216,-0.2 2,-0.4 -0.933 39.1-140.8-142.1 169.8 33.7 -6.7 6.7 9 11 A H - 0 0 11 216,-2.1 2,-0.4 -2,-0.3 41,-0.1 -0.990 5.3-160.5-132.7 139.4 34.0 -5.7 3.0 10 12 A V + 0 0 9 -2,-0.4 2,-0.3 39,-0.3 20,-0.2 -0.915 27.0 143.0-110.9 151.3 36.8 -6.0 0.5 11 13 A F B -I 29 0B 11 18,-2.2 18,-3.2 -2,-0.4 2,-0.3 -0.947 28.4-148.0-173.8 166.0 37.1 -3.9 -2.6 12 14 A S > - 0 0 21 -2,-0.3 3,-0.9 16,-0.2 16,-0.1 -0.908 33.1-112.4-139.8 163.4 39.5 -2.1 -4.9 13 15 A T T 3 S+ 0 0 74 -2,-0.3 4,-0.1 1,-0.3 15,-0.1 0.651 115.6 66.9 -77.2 -11.2 39.5 1.0 -7.1 14 16 A Q T 3 S+ 0 0 180 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.768 84.0 91.3 -73.6 -28.3 39.7 -1.4 -10.1 15 17 A D S < S- 0 0 53 -3,-0.9 2,-0.5 1,-0.1 -4,-0.0 -0.390 89.6-107.7 -66.0 145.8 36.2 -2.6 -9.2 16 18 A H - 0 0 139 38,-0.1 2,-0.6 -2,-0.1 41,-0.1 -0.652 25.1-150.3 -80.3 123.7 33.3 -0.8 -10.9 17 19 A S - 0 0 39 -2,-0.5 37,-0.2 -4,-0.1 36,-0.1 -0.850 30.0-110.6 -93.8 123.2 31.3 1.5 -8.6 18 20 A I > - 0 0 56 35,-2.4 3,-2.4 -2,-0.6 37,-0.1 -0.111 22.2-112.5 -62.4 152.5 27.7 1.7 -9.8 19 21 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 0, 0.0 34,-0.0 0.780 115.7 44.5 -55.8 -35.8 26.4 4.9 -11.3 20 22 A T T 3 S+ 0 0 106 33,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.181 80.8 147.4 -96.7 16.2 23.9 5.6 -8.5 21 23 A A < - 0 0 30 -3,-2.4 3,-0.1 32,-0.2 32,-0.1 -0.231 49.9-140.4 -54.3 135.9 26.4 4.8 -5.6 22 24 A R S S- 0 0 111 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.782 86.0 -7.3 -65.2 -28.2 25.9 6.8 -2.5 23 25 A Y - 0 0 38 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.974 58.5-144.4-161.9 164.7 29.7 7.0 -2.3 24 26 A A - 0 0 65 -2,-0.3 -7,-0.0 -3,-0.1 -11,-0.0 -0.841 23.5-138.3-143.0 98.1 32.8 5.6 -3.9 25 27 A P - 0 0 23 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.189 5.6-147.1 -59.0 149.9 35.8 4.9 -1.6 26 28 A D + 0 0 140 2,-0.1 2,-0.3 -13,-0.0 -13,-0.0 -0.360 65.8 66.5-117.7 48.6 39.2 5.9 -3.0 27 29 A Y S S- 0 0 65 -2,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.953 83.6 -89.8-157.0 171.9 41.5 3.3 -1.5 28 30 A E - 0 0 96 -2,-0.3 2,-0.5 -16,-0.1 -16,-0.2 -0.799 26.6-175.5 -93.5 127.7 42.3 -0.4 -1.5 29 31 A A B -I 11 0B 1 -18,-3.2 -18,-2.2 -2,-0.5 2,-0.1 -0.768 24.0-174.3-119.3 85.8 40.5 -2.7 0.9 30 32 A T > - 0 0 58 -2,-0.5 4,-2.7 -20,-0.2 5,-0.1 -0.400 40.2-127.4 -89.8 154.8 42.2 -6.1 0.3 31 33 A V H > S+ 0 0 14 1,-0.2 4,-4.1 2,-0.2 5,-0.4 0.914 115.4 59.5 -58.0 -40.9 41.6 -9.6 1.6 32 34 A Q H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.956 106.8 42.7 -50.5 -58.8 45.2 -9.4 2.5 33 35 A S H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 117.3 49.1 -55.7 -42.9 44.7 -6.4 4.8 34 36 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.939 111.1 46.0 -66.6 -49.5 41.5 -8.0 6.2 35 37 A I H X S+ 0 0 9 -4,-4.1 4,-2.5 1,-0.2 -1,-0.2 0.825 108.8 60.9 -60.8 -29.3 43.0 -11.4 6.9 36 38 A S H X S+ 0 0 45 -4,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.882 104.4 46.3 -66.4 -38.2 45.9 -9.4 8.4 37 39 A H H X S+ 0 0 32 -4,-1.6 4,-0.6 -3,-0.4 -2,-0.2 0.867 111.0 52.6 -69.6 -37.6 43.6 -7.8 11.0 38 40 A L H ><>S+ 0 0 0 -4,-1.9 5,-3.1 2,-0.2 3,-1.0 0.940 111.4 47.2 -60.3 -48.9 42.0 -11.2 11.8 39 41 A D H ><5S+ 0 0 81 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.942 106.6 56.5 -56.3 -51.4 45.4 -12.6 12.4 40 42 A E H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.634 117.1 36.4 -58.6 -15.3 46.6 -9.7 14.6 41 43 A H T <<5S- 0 0 49 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.165 114.1-107.1-126.4 16.7 43.5 -10.3 16.9 42 44 A N T < 5 + 0 0 138 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.755 60.4 160.2 66.5 25.4 43.3 -14.1 16.9 43 45 A F < - 0 0 13 -5,-3.1 -1,-0.2 -6,-0.2 -39,-0.2 -0.655 25.1-168.0 -80.3 134.1 40.2 -14.2 14.7 44 46 A T + 0 0 43 -41,-2.6 2,-0.3 -2,-0.4 -40,-0.2 0.797 66.6 17.4 -90.9 -30.4 39.7 -17.6 13.1 45 47 A H E -a 4 0A 27 -42,-1.8 -40,-2.7 -7,-0.1 2,-0.3 -0.927 56.9-168.8-142.8 161.5 37.0 -16.6 10.6 46 48 A G E -ac 5 72A 0 25,-2.4 27,-1.5 -2,-0.3 2,-0.6 -0.987 17.5-134.6-149.5 156.8 35.3 -13.6 8.9 47 49 A V E - c 0 73A 0 -42,-2.5 -39,-1.6 -2,-0.3 2,-0.3 -0.949 15.8-150.1-121.2 116.3 32.3 -12.9 6.8 48 50 A L E -ac 8 74A 1 25,-2.6 27,-2.0 -2,-0.6 2,-0.4 -0.631 12.5-161.0 -80.5 135.4 32.6 -10.8 3.7 49 51 A V E - c 0 75A 2 -41,-2.4 -39,-0.3 -2,-0.3 27,-0.2 -0.950 24.6-110.3-120.8 137.2 29.5 -8.8 2.7 50 52 A Q - 0 0 1 25,-2.3 2,-0.1 -2,-0.4 8,-0.1 -0.507 38.5-125.4 -68.1 127.3 28.8 -7.4 -0.7 51 53 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.434 8.6-124.9 -78.4 145.8 29.0 -3.5 -0.6 52 54 A S G > S+ 0 0 30 1,-0.3 3,-1.8 2,-0.2 -34,-0.1 0.880 108.8 56.7 -50.2 -46.2 26.3 -1.2 -1.8 53 55 A F G 3 S+ 0 0 6 1,-0.3 -35,-2.4 -36,-0.1 -1,-0.3 0.600 100.6 59.5 -71.6 -8.8 28.5 0.6 -4.3 54 56 A L G X S- 0 0 11 -3,-1.5 3,-1.6 1,-0.2 -1,-0.3 0.364 88.4-162.7 -99.0 4.0 29.4 -2.6 -6.0 55 57 A G T < - 0 0 14 -3,-1.8 -1,-0.2 1,-0.2 22,-0.1 -0.173 59.6 -27.1 57.1-137.2 25.8 -3.4 -7.0 56 58 A T T 3 S+ 0 0 68 20,-0.1 2,-1.1 2,-0.0 -1,-0.2 0.232 105.7 108.3-101.7 13.1 25.1 -7.0 -8.0 57 59 A N < + 0 0 94 -3,-1.6 3,-0.4 1,-0.1 21,-0.1 -0.797 41.4 173.9 -87.6 99.1 28.6 -7.7 -9.2 58 60 A N > + 0 0 11 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.321 41.5 110.0 -90.3 10.3 29.9 -10.0 -6.5 59 61 A Q H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 70.8 53.8 -61.3 -42.0 33.2 -10.9 -8.1 60 62 A A H > S+ 0 0 21 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.958 115.3 42.5 -56.6 -49.2 35.6 -9.0 -5.8 61 63 A M H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 112.1 54.2 -61.3 -44.5 34.1 -10.8 -2.8 62 64 A L H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.899 109.3 48.0 -58.1 -42.2 33.9 -14.2 -4.6 63 65 A N H X S+ 0 0 75 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.875 109.8 52.4 -66.0 -37.5 37.7 -14.0 -5.5 64 66 A A H X S+ 0 0 1 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.895 108.7 50.2 -66.0 -42.0 38.6 -13.1 -1.9 65 67 A I H >< S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 7,-0.3 0.954 106.0 55.5 -60.4 -52.8 36.7 -16.1 -0.5 66 68 A Q H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.7 54.5 -49.8 -36.9 38.4 -18.5 -2.9 67 69 A Q H 3< S+ 0 0 120 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.849 126.0 21.4 -68.1 -34.8 41.7 -17.3 -1.6 68 70 A Y S XX S+ 0 0 52 -4,-1.2 3,-2.5 -3,-1.0 4,-2.2 -0.344 73.4 154.2-130.1 56.5 40.8 -18.1 2.0 69 71 A P T 34 S+ 0 0 86 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.640 73.6 57.5 -61.6 -17.9 38.0 -20.6 1.6 70 72 A D T 34 S+ 0 0 114 1,-0.1 3,-0.1 -5,-0.1 -4,-0.1 0.594 118.3 28.6 -89.8 -12.6 38.8 -22.1 5.0 71 73 A R T <4 S+ 0 0 45 -3,-2.5 -25,-2.4 -6,-0.2 2,-0.4 0.606 112.2 64.0-121.2 -19.6 38.3 -18.8 6.8 72 74 A L E < +c 46 0A 2 -4,-2.2 2,-0.3 -7,-0.3 -25,-0.2 -0.912 43.2 173.7-122.1 137.5 35.8 -16.8 4.8 73 75 A K E -c 47 0A 49 -27,-1.5 -25,-2.6 -2,-0.4 2,-0.3 -0.847 23.0-139.1-122.2 169.9 32.2 -17.0 3.8 74 76 A G E -cd 48 95A 0 20,-2.1 22,-2.7 -2,-0.3 2,-0.5 -0.882 15.7-146.7-134.0 158.7 30.1 -14.3 2.0 75 77 A I E -c 49 0A 0 -27,-2.0 -25,-2.3 -2,-0.3 23,-0.2 -0.992 31.8-158.8-119.6 119.7 26.8 -12.5 1.7 76 78 A A E - d 0 98A 0 21,-1.9 23,-1.8 -2,-0.5 2,-0.4 -0.390 13.9-136.2 -94.4 170.5 26.0 -11.6 -1.9 77 79 A V + 0 0 31 21,-0.2 2,-0.3 -22,-0.1 -19,-0.1 -1.000 34.8 163.8-125.5 129.7 23.7 -9.1 -3.5 78 80 A V - 0 0 26 -2,-0.4 2,-0.1 21,-0.2 -21,-0.1 -0.961 44.4 -91.7-143.3 154.4 21.6 -10.3 -6.5 79 81 A Q > - 0 0 111 -2,-0.3 3,-2.2 1,-0.1 -2,-0.0 -0.468 37.5-125.2 -59.1 138.6 18.6 -9.3 -8.5 80 82 A H T 3 S+ 0 0 46 1,-0.3 38,-0.2 -2,-0.1 -1,-0.1 0.618 111.5 62.2 -66.6 -5.6 15.5 -10.9 -7.0 81 83 A T T 3 S+ 0 0 98 2,-0.1 -1,-0.3 36,-0.1 3,-0.1 0.411 72.1 126.9 -98.5 0.8 15.0 -12.4 -10.5 82 84 A T < - 0 0 32 -3,-2.2 2,-0.2 1,-0.1 -4,-0.0 -0.265 67.3-108.7 -51.2 145.5 18.2 -14.3 -10.5 83 85 A T > - 0 0 85 1,-0.1 4,-2.2 38,-0.0 3,-0.3 -0.489 17.5-115.4 -83.0 152.0 17.5 -17.9 -11.3 84 86 A F H > S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 116.4 55.9 -47.5 -47.8 17.6 -20.7 -8.8 85 87 A N H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 105.5 49.8 -55.9 -46.3 20.5 -22.3 -10.7 86 88 A E H > S+ 0 0 101 -3,-0.3 4,-2.1 1,-0.2 3,-0.4 0.954 111.6 49.3 -56.2 -51.9 22.6 -19.1 -10.5 87 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.891 106.5 55.5 -52.2 -46.0 22.0 -18.9 -6.8 88 90 A V H X S+ 0 0 49 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.3 0.889 107.0 52.6 -54.5 -37.3 23.0 -22.6 -6.5 89 91 A N H < S+ 0 0 73 -4,-1.8 4,-0.3 -3,-0.4 -2,-0.2 0.918 107.8 47.8 -68.3 -44.1 26.2 -21.6 -8.1 90 92 A L H ><>S+ 0 0 18 -4,-2.1 3,-2.0 1,-0.2 5,-1.7 0.912 108.5 56.5 -59.3 -41.7 26.9 -18.8 -5.7 91 93 A K H ><5S+ 0 0 89 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.918 101.6 57.0 -55.8 -43.2 26.2 -21.2 -2.9 92 94 A A T 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.586 103.1 56.0 -62.9 -10.9 28.9 -23.5 -4.4 93 95 A Q T < 5S- 0 0 62 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.198 129.3 -88.4-110.6 14.3 31.4 -20.6 -4.0 94 96 A G T < 5S+ 0 0 24 -3,-1.8 -20,-2.1 1,-0.3 2,-0.4 0.595 79.1 142.3 92.2 12.4 30.9 -20.0 -0.3 95 97 A I E < +d 74 0A 1 -5,-1.7 -1,-0.3 -22,-0.2 -20,-0.2 -0.757 20.5 175.3 -84.1 130.8 27.9 -17.6 -0.4 96 98 A V E - 0 0 32 -22,-2.7 32,-2.1 -2,-0.4 2,-0.3 0.225 57.4 -1.3-126.7 9.2 25.5 -18.3 2.5 97 99 A G E - e 0 128A 0 -23,-0.5 -21,-1.9 30,-0.3 2,-0.3 -0.969 63.3-115.8-178.8 177.7 22.9 -15.5 2.3 98 100 A V E -de 76 129A 9 30,-1.7 32,-2.9 -2,-0.3 2,-0.4 -0.927 24.5-130.9-132.3 159.6 21.9 -12.4 0.5 99 101 A R E - e 0 130A 15 -23,-1.8 2,-0.8 -2,-0.3 -21,-0.2 -0.931 7.2-157.3-121.7 132.8 21.6 -8.8 1.7 100 102 A L E - e 0 131A 23 30,-3.2 32,-2.6 -2,-0.4 2,-0.9 -0.870 18.6-179.4-100.3 94.7 18.9 -6.2 1.4 101 103 A N E + e 0 132A 23 -2,-0.8 32,-0.2 30,-0.2 30,-0.1 -0.832 7.8 168.5 -98.5 99.1 20.8 -2.9 1.8 102 104 A L > + 0 0 12 30,-2.7 3,-1.9 -2,-0.9 31,-0.2 0.287 22.5 130.0-104.6 8.7 18.0 -0.4 1.6 103 105 A F T 3 S+ 0 0 40 29,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.441 85.3 7.8 -63.0 135.7 19.7 2.8 2.7 104 106 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.586 119.4 96.1 69.6 12.0 19.0 5.6 0.2 105 107 A L S < S- 0 0 97 -3,-1.9 -1,-0.3 3,-0.0 2,-0.2 -0.753 80.3 -93.6-127.1 171.6 16.6 3.3 -1.6 106 108 A N - 0 0 142 -2,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 -0.596 42.0-106.8 -85.4 150.4 12.9 2.5 -1.8 107 109 A L - 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0 0 63 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.677 48.4-105.2-105.3 167.1 40.3 1.6 13.1 236 238 A Y H > S+ 0 0 3 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 125.3 53.3 -52.4 -46.9 39.9 -2.1 13.5 237 239 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 106.1 52.5 -59.2 -38.6 41.3 -1.7 17.0 238 240 A D H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 108.9 50.3 -63.0 -39.5 38.7 0.9 17.7 239 241 A A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.965 112.0 46.8 -62.0 -52.8 36.0 -1.5 16.6 240 242 A I H X S+ 0 0 16 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.888 112.1 53.0 -52.1 -44.1 37.4 -4.2 18.9 241 243 A K H X S+ 0 0 125 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.918 107.0 48.0 -65.0 -48.6 37.6 -1.8 21.7 242 244 A A H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.855 106.6 59.7 -61.1 -34.3 34.0 -0.5 21.6 243 245 A F H X S+ 0 0 9 -4,-1.7 4,-3.9 1,-0.2 -1,-0.2 0.935 104.8 48.1 -60.5 -44.1 32.8 -4.1 21.5 244 246 A K H < S+ 0 0 116 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.752 112.5 50.7 -70.0 -28.8 34.5 -4.9 24.8 245 247 A Q H < S+ 0 0 87 -4,-1.3 3,-0.4 -5,-0.1 -2,-0.2 0.892 115.9 39.6 -69.6 -44.8 32.9 -1.7 26.2 246 248 A I H < S+ 0 0 10 -4,-3.0 2,-0.8 1,-0.3 -2,-0.2 0.928 126.2 37.7 -66.8 -48.0 29.5 -2.6 25.0 247 249 A V < + 0 0 0 -4,-3.9 -1,-0.3 -5,-0.3 6,-0.1 -0.757 69.9 160.7-109.5 85.2 29.9 -6.3 25.9 248 250 A F + 0 0 182 -2,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.899 48.6 86.1 -71.0 -43.5 31.9 -6.2 29.1 249 251 A D > - 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