==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-MAR-12 3VPJ . COMPND 2 MOLECULE: TYPE VI SECRETION EXPORTED 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.DING,W.WANG,D.C.WANG . 1172 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 64.6 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 . 357 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 . 83 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 3 0 0 0 0 4 4 6 2 0 0 0 0 0 0 0 0 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 . 6 11 8 21 17 3 0 4 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 4 0 4 4 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 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 S 0 0 108 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 148.1 21.6 28.1 17.2 2 4 A L + 0 0 50 71,-0.2 3,-0.4 1,-0.2 4,-0.2 0.792 360.0 45.0 -82.1 -32.5 21.1 26.6 13.8 3 5 A D S >> S+ 0 0 11 1,-0.2 4,-1.6 70,-0.1 3,-0.6 0.367 84.7 103.7 -91.4 4.7 19.3 23.4 14.9 4 6 A Q H 3> + 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.843 69.1 61.8 -57.0 -42.8 17.0 25.5 17.2 5 7 A a H 3> S+ 0 0 34 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.909 107.2 45.9 -49.5 -47.3 13.9 25.4 15.0 6 8 A I H <> S+ 0 0 3 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.882 108.8 54.3 -67.0 -41.7 13.9 21.6 15.3 7 9 A V H X S+ 0 0 23 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.935 111.3 46.7 -56.9 -46.4 14.4 21.6 19.0 8 10 A N H X S+ 0 0 66 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.947 108.4 54.5 -61.3 -48.8 11.4 23.9 19.3 9 11 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.8 46.1 -48.3 -49.0 9.3 21.7 17.0 10 12 A C H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.943 110.8 51.3 -60.4 -52.8 10.0 18.8 19.3 11 13 A K H >< S+ 0 0 108 -4,-2.7 3,-0.6 1,-0.2 4,-0.5 0.934 115.4 42.3 -49.6 -53.5 9.3 20.7 22.5 12 14 A N H >X S+ 0 0 80 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.941 111.4 53.3 -61.8 -50.1 5.9 21.8 21.2 13 15 A S H 3< S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.3 -1,-0.2 0.676 89.6 85.0 -61.7 -16.5 4.9 18.5 19.6 14 16 A W T << S+ 0 0 18 -4,-1.3 11,-0.8 -3,-0.6 -1,-0.2 0.893 98.1 31.2 -53.5 -46.9 5.6 16.8 22.9 15 17 A D T <4 S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.509 102.2 95.1 -95.8 -4.1 2.1 17.5 24.4 16 18 A K < - 0 0 90 -4,-0.5 8,-2.4 -3,-0.5 2,-0.3 -0.148 67.6-136.4 -73.0 175.5 0.1 17.4 21.2 17 19 A S - 0 0 59 6,-0.2 4,-0.1 7,-0.1 -3,-0.1 -0.881 14.9-174.3-134.4 110.8 -1.7 14.4 19.9 18 20 A Y S S+ 0 0 109 -2,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.903 85.2 44.5 -72.7 -41.6 -1.3 13.8 16.2 19 21 A L S > S- 0 0 107 3,-0.5 3,-1.5 -3,-0.1 -1,-0.1 -0.916 111.1-101.9 -97.7 130.7 -3.7 11.0 16.4 20 22 A A T 3 S+ 0 0 88 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.0 -0.211 99.3 6.8 -58.6 132.6 -6.7 12.0 18.4 21 23 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.2 -4,-0.1 -3,-0.0 0.207 106.1 98.8 83.5 -17.0 -6.9 10.6 22.0 22 24 A T S < S- 0 0 51 -3,-1.5 -3,-0.5 397,-0.0 -4,-0.2 -0.906 74.8-133.6-102.6 108.4 -3.4 9.1 21.8 23 25 A P > - 0 0 32 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.307 13.0-127.8 -58.5 141.4 -0.9 11.5 23.5 24 26 A N G > S+ 0 0 1 -8,-2.4 3,-2.8 1,-0.3 7,-0.5 0.912 107.7 64.2 -56.5 -43.1 2.2 12.0 21.4 25 27 A K G 3 S+ 0 0 72 -11,-0.8 85,-2.1 -9,-0.3 -1,-0.3 0.714 107.4 44.2 -55.7 -21.7 4.5 11.1 24.3 26 28 A D G < S+ 0 0 6 -3,-1.3 2,-0.4 83,-0.2 -1,-0.3 0.377 112.5 57.1-100.3 -1.2 2.9 7.6 24.1 27 29 A N <> - 0 0 44 -3,-2.8 4,-2.2 -4,-0.2 5,-0.2 -0.906 59.1-166.7-137.1 113.1 3.1 7.3 20.3 28 30 A C H > S+ 0 0 5 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.939 91.8 48.1 -65.5 -50.8 6.4 7.6 18.4 29 31 A S H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 112.0 52.2 -55.3 -40.1 4.9 8.0 14.9 30 32 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 109.0 48.1 -63.9 -45.6 2.5 10.6 16.2 31 33 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 -7,-0.5 -2,-0.2 0.892 113.8 47.7 -63.3 -40.4 5.3 12.7 17.8 32 34 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.954 110.3 51.7 -63.6 -49.9 7.3 12.5 14.6 33 35 A Q H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.879 110.2 50.1 -53.6 -43.4 4.3 13.4 12.5 34 36 A S H X S+ 0 0 9 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 110.1 49.5 -62.3 -46.5 3.7 16.5 14.7 35 37 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.926 112.6 47.3 -59.0 -43.7 7.3 17.5 14.4 36 38 A A H <>S+ 0 0 2 -4,-2.8 5,-3.2 2,-0.2 4,-0.5 0.850 111.3 53.7 -64.9 -35.4 7.2 17.2 10.6 37 39 A A H ><5S+ 0 0 64 -4,-2.1 3,-1.7 -5,-0.3 -2,-0.2 0.985 109.0 45.6 -61.8 -59.3 3.9 19.1 10.6 38 40 A E H 3<5S+ 0 0 83 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.873 117.9 44.2 -53.4 -40.7 5.3 22.1 12.6 39 41 A L T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.499 109.8-124.6 -84.4 -4.3 8.4 22.2 10.4 40 42 A G T < 5 + 0 0 64 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.914 56.8 152.3 59.7 44.6 6.4 21.8 7.3 41 43 A V < - 0 0 10 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.930 51.4-114.7-106.4 124.9 8.3 18.7 6.2 42 44 A P - 0 0 74 0, 0.0 -5,-0.0 0, 0.0 -3,-0.0 -0.312 40.7-172.6 -53.0 136.7 6.5 16.2 4.1 43 45 A M - 0 0 22 -10,-0.0 8,-0.0 -6,-0.0 -10,-0.0 -1.000 24.9-109.8-137.7 139.2 6.3 13.0 6.1 44 46 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.186 40.7-114.7 -61.0 161.0 5.0 9.5 5.1 45 47 A R + 0 0 204 5,-0.1 2,-0.2 6,-0.0 9,-0.1 -0.632 62.5 31.5-107.5 154.3 1.7 8.3 6.6 46 48 A G S S- 0 0 50 -2,-0.2 5,-0.0 4,-0.1 0, 0.0 -0.548 90.0 -24.3 106.2-169.4 0.8 5.5 9.0 47 49 A N S > S- 0 0 92 -2,-0.2 4,-2.7 3,-0.0 5,-0.2 -0.029 78.5 -79.9 -72.8-177.3 2.3 3.7 11.9 48 50 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 127.6 48.6 -54.5 -56.2 6.1 3.4 12.6 49 51 A N H > S+ 0 0 27 37,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.903 113.3 48.2 -49.9 -48.4 6.8 0.5 10.2 50 52 A A H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.923 109.1 53.0 -60.7 -45.5 5.0 2.3 7.4 51 53 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.880 108.1 51.7 -58.7 -38.9 6.8 5.6 8.1 52 54 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.903 108.7 49.6 -64.9 -42.4 10.2 3.7 7.9 53 55 A D H X S+ 0 0 67 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.928 111.7 51.1 -58.5 -43.0 9.2 2.2 4.5 54 56 A G H X S+ 0 0 12 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.946 112.3 43.6 -57.7 -53.9 8.3 5.8 3.4 55 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.881 109.6 58.4 -61.0 -39.9 11.6 7.3 4.5 56 58 A E H < S+ 0 0 85 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.946 116.2 34.3 -54.7 -51.0 13.4 4.3 3.0 57 59 A Q H < S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.962 130.9 27.0 -68.3 -55.4 11.9 5.1 -0.4 58 60 A S H < S+ 0 0 83 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.402 108.9 70.8 -97.5 0.7 11.7 8.9 -0.5 59 61 A W S < S- 0 0 20 -4,-2.1 2,-0.4 -5,-0.3 82,-0.2 -0.848 81.3-101.8-122.4 159.0 14.5 10.1 1.9 60 62 A T E -A 140 0A 69 80,-2.0 80,-2.6 -2,-0.3 2,-0.6 -0.589 32.9-136.8 -78.2 128.2 18.3 10.2 1.9 61 63 A K E -A 139 0A 104 -2,-0.4 78,-0.2 78,-0.2 2,-0.2 -0.756 16.6-149.1 -86.4 120.2 20.0 7.4 3.9 62 64 A L E -A 138 0A 21 76,-2.8 76,-0.6 -2,-0.6 3,-0.1 -0.548 14.3-127.0 -82.5 156.2 22.9 8.7 6.1 63 65 A A S S- 0 0 63 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.807 77.3 -1.0 -75.0 -33.3 25.9 6.5 6.9 64 66 A S > - 0 0 18 1,-0.1 4,-2.9 73,-0.0 5,-0.2 -0.991 68.2-102.3-156.1 160.7 26.0 6.7 10.7 65 67 A G H > S+ 0 0 7 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.858 121.7 54.6 -50.5 -38.2 24.5 8.2 13.9 66 68 A A H > S+ 0 0 4 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 109.4 44.3 -65.3 -47.1 27.5 10.6 13.9 67 69 A E H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.888 110.7 57.1 -62.3 -39.8 26.8 11.8 10.3 68 70 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.887 105.9 49.3 -58.3 -41.4 23.1 12.0 11.3 69 71 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.792 107.3 56.2 -70.6 -27.4 24.0 14.4 14.1 70 72 A Q H X S+ 0 0 16 -4,-1.4 4,-1.4 2,-0.2 3,-0.5 0.981 110.8 42.5 -64.3 -55.4 26.0 16.4 11.6 71 73 A K H ><>S+ 0 0 64 -4,-2.6 5,-1.7 1,-0.2 3,-1.3 0.961 114.9 51.0 -52.0 -53.7 22.9 16.8 9.4 72 74 A A H ><5S+ 0 0 1 -4,-2.8 3,-0.9 1,-0.3 23,-0.5 0.767 107.0 54.8 -56.2 -28.3 20.7 17.5 12.5 73 75 A A H 3<5S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.756 99.6 61.6 -78.4 -22.7 23.2 20.1 13.7 74 76 A Q T <<5S- 0 0 29 -4,-1.4 72,-0.2 -3,-1.3 -1,-0.2 0.369 126.6 -98.8 -82.4 4.7 22.9 21.9 10.3 75 77 A G T < 5S+ 0 0 0 -3,-0.9 70,-2.9 1,-0.3 2,-0.2 0.636 81.1 137.3 85.1 13.3 19.2 22.5 11.0 76 78 A F < - 0 0 33 -5,-1.7 2,-0.6 68,-0.3 -1,-0.3 -0.555 60.4-112.6 -81.6 155.6 18.1 19.5 8.9 77 79 A L - 0 0 1 66,-0.4 64,-1.6 -2,-0.2 2,-0.5 -0.835 38.1-175.9 -89.6 124.0 15.3 17.1 10.0 78 80 A V E -BC 93 140A 0 -2,-0.6 15,-2.5 15,-0.5 2,-0.5 -0.985 7.8-164.3-126.0 125.6 16.9 13.7 10.7 79 81 A I E -BC 92 139A 0 60,-2.7 60,-2.9 -2,-0.5 2,-0.5 -0.944 5.6-156.8-112.7 124.5 14.8 10.7 11.6 80 82 A A E +BC 91 138A 0 11,-2.4 11,-2.2 -2,-0.5 2,-0.3 -0.842 27.5 170.3 -92.4 134.2 16.3 7.6 13.1 81 83 A G E +BC 90 137A 0 56,-2.8 56,-2.1 -2,-0.5 2,-0.3 -0.997 23.7 174.5-150.1 153.5 14.1 4.5 12.5 82 84 A L E -B 89 0A 18 7,-2.2 7,-2.5 -2,-0.3 2,-0.2 -0.960 27.3-126.6-151.9 140.2 13.9 0.8 12.7 83 85 A K - 0 0 90 -2,-0.3 2,-0.2 5,-0.2 5,-0.1 -0.582 18.0-158.1 -88.8 145.2 11.0 -1.6 12.1 84 86 A G - 0 0 28 -2,-0.2 4,-0.2 2,-0.2 297,-0.0 -0.664 40.3 -96.1-107.5 174.6 9.7 -4.2 14.5 85 87 A R S S- 0 0 186 -2,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.898 116.0 -15.7 -54.5 -40.4 7.7 -7.4 13.8 86 88 A T S S+ 0 0 71 1,-0.3 2,-0.8 -37,-0.0 -37,-0.3 0.603 137.5 45.8-128.3 -63.1 4.7 -5.2 14.7 87 89 A Y - 0 0 94 -4,-0.1 295,-0.3 -39,-0.1 -1,-0.3 -0.818 67.5-174.6 -94.2 109.7 5.6 -2.0 16.5 88 90 A G - 0 0 3 -2,-0.8 2,-0.3 -4,-0.2 -5,-0.2 -0.111 13.3-134.1 -83.5-170.7 8.4 -0.1 14.9 89 91 A H E -B 82 0A 1 -7,-2.5 -7,-2.2 -41,-0.1 2,-0.3 -0.994 19.0-179.2-152.4 147.2 10.1 3.0 16.3 90 92 A V E -B 81 0A 0 -2,-0.3 2,-0.3 19,-0.2 19,-0.3 -0.975 6.6-177.2-144.2 151.8 11.2 6.4 15.0 91 93 A A E -B 80 0A 0 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.7 -0.982 30.7-110.0-152.0 155.7 12.9 9.3 16.6 92 94 A V E -BD 79 107A 0 15,-3.4 15,-1.9 -2,-0.3 2,-0.3 -0.822 31.7-141.4 -93.9 113.2 14.1 12.8 15.8 93 95 A V E -BD 78 106A 0 -15,-2.5 -15,-0.5 -2,-0.7 2,-0.3 -0.577 22.6-172.2 -72.8 129.7 17.9 13.1 15.9 94 96 A I - 0 0 18 11,-3.2 11,-0.4 -2,-0.3 -21,-0.2 -0.858 28.9 -93.0-119.3 158.8 19.1 16.3 17.4 95 97 A S S S+ 0 0 26 -23,-0.5 -25,-0.1 -2,-0.3 -1,-0.1 -0.239 71.1 89.9 -63.1 153.4 22.6 17.8 17.5 96 98 A G S S- 0 0 13 -27,-0.1 9,-0.2 117,-0.0 2,-0.1 -0.763 75.9 -27.5 147.3-179.3 24.8 17.2 20.6 97 99 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 8,-0.1 -0.326 62.2-121.2 -62.3 131.9 27.4 14.9 22.2 98 100 A L > - 0 0 10 6,-0.1 3,-0.9 3,-0.1 2,-0.4 -0.486 22.7-121.2 -76.2 145.2 27.3 11.2 21.0 99 101 A Y B >> S+F 103 0B 18 4,-3.4 4,-2.4 1,-0.3 3,-1.8 -0.753 97.0 1.0 -93.5 132.4 26.7 8.5 23.6 100 102 A R T 34 S- 0 0 116 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.0 0.835 125.8 -76.7 51.9 33.1 29.5 5.9 23.8 101 103 A Q T <4 S+ 0 0 114 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.1 0.648 132.1 64.6 57.0 19.7 31.0 8.1 21.1 102 104 A K T <4 S+ 0 0 107 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.650 77.8 69.2-132.4 -59.5 28.5 6.5 18.7 103 105 A Y B < -F 99 0B 9 -4,-2.4 -4,-3.4 -38,-0.1 -1,-0.2 -0.667 69.2-137.3 -87.8 123.7 24.7 7.1 19.3 104 106 A P - 0 0 0 0, 0.0 20,-2.0 0, 0.0 21,-0.3 -0.367 28.5 -92.9 -79.6 155.3 23.3 10.7 18.7 105 107 A M E - E 0 123A 21 -11,-0.4 -11,-3.2 18,-0.3 18,-0.3 -0.402 52.0-174.8 -67.3 137.9 20.8 12.5 21.0 106 108 A C E -DE 93 122A 0 16,-2.6 14,-0.8 -13,-0.2 16,-0.6 -0.857 29.4-141.0-132.6 166.8 17.1 12.1 20.1 107 109 A W E +DE 92 119A 14 -15,-1.9 -15,-3.4 -2,-0.3 2,-0.3 -0.999 38.7 148.4-120.3 128.5 13.5 13.1 20.8 108 110 A C E - 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0 0 57 -64,-1.6 -64,-0.1 -2,-0.4 -82,-0.1 -0.676 26.6-122.0 -82.6 141.7 15.3 15.4 4.2 142 144 A S S S+ 0 0 82 -2,-0.3 2,-0.4 -66,-0.1 -1,-0.1 0.565 91.3 58.5 -66.1 -9.3 17.0 17.0 1.3 143 145 A L S S- 0 0 113 -66,-0.1 -66,-0.4 2,-0.0 -2,-0.1 -0.977 83.5-115.9-132.8 134.3 16.3 20.5 2.5 144 146 A A - 0 0 50 -2,-0.4 -68,-0.3 -68,-0.1 -69,-0.1 -0.149 8.6-144.0 -63.4 152.7 17.2 22.4 5.7 145 147 A S 0 0 31 -70,-2.9 -69,-0.2 1,-0.1 -1,-0.1 0.263 360.0 360.0 -96.0 6.9 14.6 23.6 8.2 146 148 A a 0 0 84 -72,-0.2 -1,-0.1 -71,-0.1 -70,-0.1 0.263 360.0 360.0-148.2 360.0 16.7 26.7 9.0 147 !* 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 0.0 148 4 B L 0 0 118 0, 0.0 3,-0.3 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 164.8 27.7 26.3 6.2 149 5 B D >> + 0 0 8 1,-0.2 4,-1.7 2,-0.1 3,-1.3 0.285 360.0 120.9 -95.9 6.0 31.4 26.4 7.1 150 6 B Q H 3> + 0 0 93 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.747 67.8 58.5 -49.5 -34.6 32.4 27.7 3.6 151 7 B b H 3> S+ 0 0 48 -3,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.928 108.6 45.4 -60.2 -46.3 34.0 30.9 5.0 152 8 B I H <> S+ 0 0 1 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.919 111.3 51.9 -62.6 -47.3 36.4 28.8 7.1 153 9 B V H X S+ 0 0 17 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.892 111.5 48.0 -56.6 -41.9 37.2 26.5 4.2 154 10 B N H X S+ 0 0 74 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.918 109.2 52.6 -65.1 -44.0 38.0 29.5 2.0 155 11 B A H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.860 109.6 50.4 -59.3 -38.5 40.2 31.0 4.8 156 12 B C H >X S+ 0 0 0 -4,-2.4 3,-1.2 2,-0.2 4,-0.9 0.976 107.4 52.0 -61.0 -56.2 42.1 27.8 4.9 157 13 B K H 3< S+ 0 0 119 -4,-2.6 3,-0.4 1,-0.3 4,-0.3 0.840 114.7 44.8 -49.9 -36.0 42.6 27.8 1.1 158 14 B N H 3< S+ 0 0 93 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.668 110.1 53.3 -82.5 -19.7 44.0 31.3 1.5 159 15 B S H << S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.469 88.6 85.0 -94.3 -0.0 46.2 30.6 4.5 160 16 B W S < S+ 0 0 15 -4,-0.9 11,-0.7 -3,-0.4 10,-0.3 0.900 95.5 32.6 -71.0 -44.2 47.9 27.6 2.8 161 17 B D S S+ 0 0 124 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.481 102.6 92.3 -96.4 -1.2 50.7 29.4 0.9 162 18 B K - 0 0 84 -4,-0.2 8,-2.2 7,-0.1 2,-0.4 -0.201 68.5-134.9 -78.2 175.9 51.2 32.3 3.4 163 19 B S - 0 0 47 6,-0.2 4,-0.1 1,-0.1 14,-0.1 -0.895 17.7-177.0-136.0 112.5 53.7 32.3 6.2 164 20 B Y S S+ 0 0 108 12,-0.5 2,-0.7 -2,-0.4 -1,-0.1 0.884 93.8 48.1 -74.8 -38.2 52.6 33.5 9.7 165 21 B L S > S- 0 0 97 3,-0.4 3,-1.4 -3,-0.1 -1,-0.2 -0.939 112.4-119.6 -91.3 113.9 56.2 32.9 10.7 166 22 B A T 3 S+ 0 0 97 -2,-0.7 -2,-0.1 1,-0.2 -4,-0.0 -0.222 90.1 20.3 -63.1 142.7 57.9 34.7 7.8 167 23 B G T 3 S+ 0 0 79 -4,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.037 106.8 88.3 89.9 -24.2 60.3 32.7 5.6 168 24 B T S < S- 0 0 52 -3,-1.4 -3,-0.4 400,-0.0 -4,-0.2 -0.918 80.0-127.9-113.3 109.8 58.7 29.4 6.7 169 25 B P > - 0 0 36 0, 0.0 3,-0.8 0, 0.0 -6,-0.2 -0.075 10.6-129.6 -52.6 146.6 55.7 28.3 4.5 170 26 B N G > S+ 0 0 0 -8,-2.2 3,-1.2 -10,-0.3 7,-0.2 0.805 106.2 68.3 -73.3 -29.7 52.5 27.3 6.3 171 27 B K G 3 S+ 0 0 68 -11,-0.7 85,-2.0 1,-0.3 -1,-0.3 0.796 109.2 40.7 -54.5 -28.8 52.2 24.1 4.4 172 28 B D G < S+ 0 0 14 -3,-0.8 2,-0.4 83,-0.2 -1,-0.3 0.408 113.3 57.0-100.7 -3.3 55.3 23.2 6.5 173 29 B N <> - 0 0 32 -3,-1.2 4,-0.9 -4,-0.2 82,-0.2 -0.922 57.2-167.0-133.6 115.2 54.2 24.8 9.8 174 30 B C H > S+ 0 0 2 -2,-0.4 4,-2.7 1,-0.2 3,-0.5 0.900 93.4 47.4 -65.2 -42.9 50.9 23.7 11.5 175 31 B S H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 110.8 51.7 -60.7 -47.6 50.9 26.7 14.0 176 32 B G H > S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 -12,-0.5 0.620 112.5 47.9 -68.9 -13.8 51.7 29.2 11.2 177 33 B F H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.5 5,-0.3 0.898 110.8 46.7 -86.4 -59.7 48.8 27.8 9.2 178 34 B V H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.880 112.7 54.8 -46.4 -40.2 46.2 27.8 12.0 179 35 B Q H X S+ 0 0 7 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.902 107.9 45.9 -65.7 -44.6 47.4 31.3 12.8 180 36 B S H X S+ 0 0 5 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.922 113.7 49.8 -63.6 -45.5 46.8 32.7 9.3 181 37 B V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.897 110.3 50.2 -59.2 -42.5 43.4 31.0 9.1 182 38 B A H <>S+ 0 0 1 -4,-2.4 5,-2.1 -5,-0.3 -1,-0.2 0.766 109.6 52.7 -67.6 -26.9 42.5 32.5 12.5 183 39 B A H ><5S+ 0 0 59 -4,-1.4 3,-1.9 3,-0.2 -2,-0.2 0.937 105.5 53.0 -70.3 -49.1 43.6 35.9 11.1 184 40 B E H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.834 114.1 42.1 -55.3 -37.3 41.4 35.7 8.0 185 41 B L T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.314 110.7-124.7 -93.3 5.7 38.4 35.0 10.2 186 42 B G T < 5 + 0 0 63 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.738 56.7 155.3 59.0 24.5 39.5 37.7 12.6 187 43 B V < - 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