==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 30-APR-12 4EXS . COMPND 2 MOLECULE: BETA-LACTAMASE NDM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR N.C.J.STRYNADKA,D.T.KING . 470 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 0 0 1 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 5 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 . 5 4 0 4 4 0 0 1 1 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 2 0 1 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 42 B G 0 0 93 0, 0.0 11,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 5.8 -19.9 2.1 7.3 2 43 B D E -A 11 0A 95 9,-0.1 2,-0.4 7,-0.0 9,-0.2 -0.679 360.0-157.1 -89.3 151.3 -23.2 3.3 8.6 3 44 B Q E -A 10 0A 134 7,-2.1 7,-2.3 -2,-0.3 2,-0.4 -0.985 12.6-137.8-128.4 118.4 -23.6 5.2 11.8 4 45 B R E +A 9 0A 190 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.637 22.6 177.5 -68.8 128.3 -27.0 5.3 13.7 5 46 B F E > -A 8 0A 50 3,-3.1 3,-2.3 -2,-0.4 58,-0.1 -0.949 64.1 -51.5-129.8 113.9 -27.9 8.7 15.0 6 47 B G T 3 S- 0 0 53 -2,-0.4 -1,-0.1 1,-0.3 50,-0.0 -0.298 119.6 -25.0 50.9-137.4 -31.3 8.7 16.7 7 48 B D T 3 S+ 0 0 104 -3,-0.1 16,-0.4 2,-0.0 -1,-0.3 0.347 128.4 90.0 -80.3 8.6 -33.9 7.1 14.4 8 49 B L E < -A 5 0A 1 -3,-2.3 -3,-3.1 14,-0.1 2,-0.4 -0.718 63.9-147.2-107.5 155.2 -31.6 8.2 11.5 9 50 B V E -AB 4 21A 8 12,-2.4 12,-2.2 -2,-0.2 2,-0.4 -0.976 10.8-167.5-123.2 134.6 -28.6 6.6 9.6 10 51 B F E -AB 3 20A 4 -7,-2.3 -7,-2.1 -2,-0.4 2,-0.4 -0.959 3.8-176.1-123.8 137.8 -25.6 8.5 8.1 11 52 B R E -AB 2 19A 91 8,-2.2 8,-3.2 -2,-0.4 2,-0.3 -0.987 23.0-131.8-135.8 122.2 -23.1 7.1 5.7 12 53 B Q E + B 0 18A 112 -11,-0.6 6,-0.3 -2,-0.4 -2,-0.0 -0.578 25.7 173.5 -73.8 130.7 -20.0 9.0 4.5 13 54 B L E - 0 0 25 4,-2.8 5,-0.2 1,-0.4 -1,-0.2 0.740 68.3 -8.3-106.4 -29.0 -19.6 8.8 0.7 14 55 B A E > S- B 0 17A 22 3,-1.7 3,-1.0 146,-0.1 -1,-0.4 -0.878 89.2 -79.8-151.7 174.7 -16.7 11.2 0.1 15 56 B P T 3 S+ 0 0 101 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 0.791 131.7 23.9 -50.3 -35.4 -14.7 13.7 2.4 16 57 B N T 3 S+ 0 0 36 23,-0.0 24,-2.9 1,-0.0 2,-0.4 0.227 112.3 79.9-120.3 13.0 -17.5 16.3 2.0 17 58 B V E < +BC 14 39A 0 -3,-1.0 -4,-2.8 22,-0.2 -3,-1.7 -0.982 48.3 176.6-128.0 132.0 -20.5 14.2 1.2 18 59 B W E -BC 12 38A 28 20,-2.7 20,-2.6 -2,-0.4 2,-0.4 -0.989 24.1-134.9-127.8 136.6 -22.7 12.1 3.5 19 60 B Q E -BC 11 37A 8 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.4 -0.786 19.1-158.4 -79.8 128.0 -25.9 10.1 2.8 20 61 B H E -BC 10 36A 1 16,-1.7 16,-3.0 -2,-0.4 2,-0.4 -0.928 8.6-168.0-103.9 141.5 -28.7 10.7 5.3 21 62 B T E -BC 9 35A 7 -12,-2.2 -12,-2.4 -2,-0.4 2,-0.3 -0.997 5.8-177.9-133.4 127.4 -31.4 8.0 5.6 22 63 B S E - C 0 34A 0 12,-2.2 12,-2.9 -2,-0.4 2,-0.4 -0.878 15.5-137.7-123.5 162.4 -34.7 8.2 7.4 23 64 B Y E - C 0 33A 64 -16,-0.4 2,-0.4 -2,-0.3 10,-0.2 -0.946 18.3-118.6-126.4 128.6 -37.4 5.7 8.0 24 65 B L E - C 0 32A 36 8,-1.8 2,-0.6 -2,-0.4 8,-0.6 -0.570 21.7-166.6 -71.5 126.9 -41.2 6.0 7.8 25 66 B D + 0 0 140 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.824 32.6 138.6-115.9 74.5 -42.9 5.3 11.1 26 67 B M > - 0 0 119 -2,-0.6 2,-2.2 3,-0.4 3,-2.0 -0.999 59.7-117.6-123.8 131.2 -46.7 5.0 10.2 27 68 B P T 3 S+ 0 0 127 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.416 105.9 51.1 -64.3 74.8 -48.9 2.2 11.7 28 69 B G T 3 S+ 0 0 59 -2,-2.2 2,-0.3 1,-0.4 -3,-0.0 0.249 105.4 47.4 175.4 -12.2 -49.7 0.4 8.5 29 70 B F S < S- 0 0 187 -3,-2.0 -3,-0.4 1,-0.1 -1,-0.4 -0.984 76.2 -97.8-151.2 162.3 -46.3 -0.2 6.9 30 71 B G - 0 0 50 -2,-0.3 2,-1.7 1,-0.2 -4,-0.2 0.105 60.5 -71.9 -70.3-178.4 -42.8 -1.4 7.3 31 72 B A - 0 0 82 -8,-0.1 2,-0.6 -6,-0.1 -1,-0.2 -0.569 56.0-165.9 -83.9 87.5 -39.7 0.7 7.9 32 73 B V E -C 24 0A 66 -2,-1.7 -8,-1.8 -8,-0.6 2,-0.2 -0.638 10.7-139.8 -82.6 119.2 -39.3 2.3 4.5 33 74 B A E -C 23 0A 32 -2,-0.6 2,-0.4 -10,-0.2 -10,-0.2 -0.529 15.9-169.1 -79.8 136.3 -35.9 3.9 4.0 34 75 B S E -C 22 0A 2 -12,-2.9 -12,-2.2 -2,-0.2 2,-0.4 -0.998 8.6-152.8-122.7 136.4 -35.4 7.2 2.3 35 76 B N E +C 21 0A 9 173,-1.4 -14,-0.2 -2,-0.4 2,-0.2 -0.874 20.4 160.3-108.5 136.7 -32.0 8.6 1.3 36 77 B G E -C 20 0A 0 -16,-3.0 -16,-1.7 -2,-0.4 2,-0.3 -0.735 30.7-106.1-133.2-172.9 -30.9 12.2 0.8 37 78 B L E -CD 19 48A 0 11,-2.2 11,-2.7 -18,-0.2 2,-0.4 -0.904 12.6-163.0-121.9 149.9 -27.5 14.0 0.7 38 79 B I E -CD 18 47A 0 -20,-2.6 -20,-2.7 -2,-0.3 2,-0.5 -1.000 16.9-170.8-124.3 130.1 -25.5 16.3 2.9 39 80 B V E -CD 17 46A 0 7,-3.1 7,-2.9 -2,-0.4 2,-0.8 -0.974 16.6-150.3-126.0 119.9 -22.7 18.3 1.2 40 81 B R E - D 0 45A 83 -24,-2.9 2,-0.9 -2,-0.5 5,-0.2 -0.821 12.3-171.6 -85.3 111.9 -20.1 20.3 2.9 41 82 B D E > - D 0 44A 46 3,-1.9 2,-1.5 -2,-0.8 3,-0.5 -0.699 56.5 -80.9-101.5 71.4 -19.1 23.1 0.5 42 83 B G T 3 S+ 0 0 63 -2,-0.9 -2,-0.0 1,-0.2 3,-0.0 -0.466 117.5 8.3 75.2 -89.2 -16.1 24.6 2.3 43 84 B G T 3 S+ 0 0 54 -2,-1.5 2,-0.3 27,-0.0 -1,-0.2 0.147 128.4 43.7-115.9 15.5 -17.6 26.9 5.0 44 85 B R E < S-D 41 0A 58 -3,-0.5 -3,-1.9 26,-0.1 2,-0.4 -0.947 74.1-120.6-150.1 169.3 -21.3 26.0 4.7 45 86 B V E -De 40 72A 0 26,-2.2 28,-1.6 -2,-0.3 29,-0.8 -0.915 15.9-158.6-120.2 146.8 -23.5 22.9 4.3 46 87 B L E -De 39 74A 0 -7,-2.9 -7,-3.1 -2,-0.4 2,-0.4 -0.982 8.5-151.8-124.2 137.2 -26.0 22.0 1.5 47 88 B V E -De 38 75A 2 27,-1.9 29,-2.5 -2,-0.4 2,-0.6 -0.898 6.7-159.9-114.4 132.2 -28.9 19.6 1.9 48 89 B V E -De 37 76A 0 -11,-2.7 -11,-2.2 -2,-0.4 29,-0.2 -0.978 69.0 -15.3-108.9 111.6 -30.5 17.4 -0.8 49 90 B D - 0 0 0 27,-2.4 -1,-0.3 -2,-0.6 36,-0.2 0.591 69.4-111.2 74.9 143.6 -33.9 16.4 0.3 50 91 B T - 0 0 2 34,-2.4 2,-0.1 1,-0.2 36,-0.1 -0.132 36.7-101.8 -79.2-176.1 -35.6 16.4 3.8 51 92 B A - 0 0 0 2,-0.4 36,-0.4 34,-0.1 35,-0.3 -0.416 47.8 -83.0 -95.6-175.9 -36.5 13.3 5.8 52 93 B W S S+ 0 0 26 -2,-0.1 2,-0.3 34,-0.1 32,-0.1 0.811 108.7 20.1 -54.4 -35.4 -40.0 11.8 6.0 53 94 B T S > S- 0 0 48 34,-0.1 4,-1.9 30,-0.1 -2,-0.4 -0.855 79.7-106.5-136.2 165.6 -41.1 14.3 8.8 54 95 B D H > S+ 0 0 64 32,-0.4 4,-3.0 -2,-0.3 5,-0.3 0.925 118.9 49.6 -56.2 -49.4 -40.2 17.6 10.4 55 96 B D H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 110.8 49.2 -60.2 -45.8 -38.8 15.9 13.5 56 97 B Q H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 112.2 50.8 -57.3 -36.2 -36.6 13.6 11.4 57 98 B T H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.904 108.8 48.3 -74.9 -41.9 -35.5 16.7 9.5 58 99 B A H X S+ 0 0 35 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.894 107.2 58.5 -59.3 -36.0 -34.6 18.6 12.6 59 100 B Q H X S+ 0 0 26 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.932 104.4 51.4 -61.3 -41.4 -32.7 15.5 13.7 60 101 B I H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.921 107.8 51.4 -54.9 -48.3 -30.7 15.9 10.4 61 102 B L H X S+ 0 0 26 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.848 108.4 52.7 -60.0 -33.2 -29.9 19.5 11.3 62 103 B N H X S+ 0 0 92 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.910 106.4 51.1 -72.6 -41.7 -28.7 18.4 14.7 63 104 B W H X S+ 0 0 11 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.881 113.1 47.0 -60.1 -37.6 -26.3 15.8 13.3 64 105 B I H X>S+ 0 0 2 -4,-1.9 5,-3.5 2,-0.2 4,-2.4 0.953 110.2 51.9 -68.3 -51.2 -24.9 18.5 11.0 65 106 B K H <5S+ 0 0 126 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.910 119.9 37.6 -48.5 -42.8 -24.7 21.0 14.0 66 107 B Q H <5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.907 124.5 32.7 -80.5 -45.8 -22.7 18.3 15.9 67 108 B E H <5S+ 0 0 99 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.665 139.8 11.9 -90.3 -21.3 -20.5 16.5 13.3 68 109 B I T <5S- 0 0 25 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.645 77.0-161.1-122.4 -51.2 -19.8 19.4 11.0 69 110 B N < + 0 0 94 -5,-3.5 -4,-0.2 1,-0.2 -3,-0.1 0.973 43.7 123.4 64.0 55.4 -21.0 22.6 12.8 70 111 B L - 0 0 54 -6,-0.1 -1,-0.2 0, 0.0 -26,-0.1 -0.944 69.7 -92.2-131.3 156.8 -21.2 25.0 9.9 71 112 B P - 0 0 95 0, 0.0 -26,-2.2 0, 0.0 2,-0.9 -0.371 36.3-117.8 -69.3 146.2 -24.4 26.9 9.0 72 113 B V E -e 45 0A 28 -28,-0.2 25,-0.2 1,-0.2 -26,-0.2 -0.779 27.5-171.0 -84.9 109.5 -26.8 25.2 6.4 73 114 B A E - 0 0 38 -28,-1.6 24,-0.9 -2,-0.9 2,-0.3 0.873 58.2 -25.3 -66.8 -45.9 -26.9 27.6 3.5 74 115 B L E -ef 46 97A 6 -29,-0.8 -27,-1.9 22,-0.2 2,-0.3 -0.975 48.9-138.2-159.4 165.4 -29.8 26.0 1.5 75 116 B A E -ef 47 98A 0 22,-2.3 24,-2.0 -2,-0.3 2,-0.4 -0.973 9.1-158.6-128.3 148.2 -31.7 22.8 0.7 76 117 B V E -ef 48 99A 0 -29,-2.5 -27,-2.4 -2,-0.3 2,-0.3 -0.999 10.4-157.8-120.9 132.0 -32.9 21.5 -2.7 77 118 B V E - f 0 100A 0 22,-2.5 24,-0.5 -2,-0.4 3,-0.1 -0.854 8.5-145.5-115.3 146.9 -35.7 19.0 -2.6 78 119 B T - 0 0 1 -2,-0.3 75,-2.2 1,-0.3 2,-0.2 0.471 65.6 -10.9-108.7 -2.5 -36.1 16.7 -5.6 79 120 B H S S- 0 0 0 73,-0.2 2,-1.9 2,-0.2 -1,-0.3 -0.826 72.7 -90.3-178.7 164.6 -39.9 16.2 -6.0 80 121 B A S S+ 0 0 2 -2,-0.2 2,-0.3 4,-0.1 33,-0.1 -0.308 79.6 111.6 -81.7 55.0 -43.2 16.7 -4.2 81 122 B H S >> S- 0 0 25 -2,-1.9 4,-2.5 31,-0.0 3,-1.1 -0.831 77.7-109.2-111.1 169.4 -43.5 13.5 -2.3 82 123 B Q H 3> S+ 0 0 81 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.752 113.6 59.1 -63.8 -34.4 -43.3 13.1 1.5 83 124 B D H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -61,-0.1 0.683 118.8 31.1 -71.2 -18.8 -39.9 11.4 1.6 84 125 B K H <4 S+ 0 0 0 -3,-1.1 -34,-2.4 -5,-0.2 -2,-0.2 0.718 137.2 21.1-103.8 -36.9 -38.3 14.3 -0.1 85 126 B M H >< S+ 0 0 2 -4,-2.5 3,-1.3 -36,-0.2 29,-0.5 0.249 86.4 107.6-120.1 10.1 -40.4 17.3 1.1 86 127 B G T 3< S+ 0 0 18 -4,-1.7 -32,-0.4 -35,-0.3 3,-0.2 0.713 83.1 49.7 -67.3 -16.7 -42.0 15.9 4.3 87 128 B G T 3> + 0 0 0 -36,-0.4 4,-1.4 -34,-0.2 -1,-0.3 0.062 67.0 117.2-113.6 26.8 -39.7 18.1 6.3 88 129 B M H <> S+ 0 0 2 -3,-1.3 4,-2.6 1,-0.2 3,-0.3 0.896 73.3 58.8 -65.7 -42.7 -40.0 21.6 4.9 89 130 B D H > S+ 0 0 87 1,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.931 105.4 51.7 -54.1 -43.7 -41.5 23.2 8.0 90 131 B A H > S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.866 109.4 48.9 -58.3 -41.3 -38.3 22.1 9.9 91 132 B L H <>S+ 0 0 1 -4,-1.4 5,-2.5 -3,-0.3 -2,-0.2 0.923 113.1 47.4 -68.3 -41.3 -36.0 23.7 7.3 92 133 B H H ><5S+ 0 0 46 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.901 108.6 53.2 -62.0 -45.5 -38.0 27.0 7.3 93 134 B A H 3<5S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.5 54.2 -59.8 -30.4 -38.0 27.1 11.1 94 135 B A T 3<5S- 0 0 55 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.386 117.8-113.1 -85.5 6.0 -34.2 26.8 11.0 95 136 B G T < 5 + 0 0 68 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.666 63.7 152.8 73.9 18.5 -33.9 29.8 8.6 96 137 B I < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.704 47.4-123.4 -91.4 123.1 -32.7 27.6 5.7 97 138 B A E -f 74 0A 25 -24,-0.9 -22,-2.3 -2,-0.5 2,-0.4 -0.429 32.4-152.5 -58.8 124.4 -33.3 28.8 2.1 98 139 B T E -f 75 0A 0 -2,-0.2 20,-2.4 -24,-0.2 2,-0.3 -0.840 13.2-171.5-111.7 142.9 -35.3 26.1 0.2 99 140 B Y E +fg 76 118A 20 -24,-2.0 -22,-2.5 -2,-0.4 2,-0.3 -0.951 10.7 159.6-129.7 144.6 -35.4 25.2 -3.5 100 141 B A E -fg 77 119A 0 18,-1.8 20,-3.4 -2,-0.3 -22,-0.1 -0.973 51.0 -78.1-150.6 162.6 -37.5 22.9 -5.6 101 142 B N E > - g 0 120A 11 -24,-0.5 4,-1.9 -2,-0.3 15,-0.2 -0.323 45.2-121.7 -49.7 138.6 -38.5 22.5 -9.2 102 143 B A H > S+ 0 0 8 18,-2.7 4,-2.2 2,-0.2 5,-0.2 0.923 117.2 52.6 -52.2 -45.8 -41.2 25.1 -10.0 103 144 B L H > S+ 0 0 18 17,-0.3 4,-2.3 1,-0.2 5,-0.2 0.936 105.3 54.7 -58.9 -42.1 -43.5 22.2 -10.9 104 145 B S H > S+ 0 0 0 1,-0.2 4,-0.7 47,-0.2 -1,-0.2 0.867 109.1 47.7 -55.3 -40.9 -42.7 20.6 -7.6 105 146 B N H < S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.850 110.1 53.1 -71.2 -30.0 -43.9 23.8 -5.9 106 147 B Q H < S+ 0 0 31 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.862 113.5 41.5 -70.0 -39.9 -47.0 23.9 -8.0 107 148 B L H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.557 90.7 95.2 -79.9 -11.6 -48.0 20.3 -7.1 108 149 B A H >X>S+ 0 0 0 -4,-0.7 5,-3.1 1,-0.2 3,-0.7 0.898 81.6 48.1 -55.2 -53.2 -47.0 20.7 -3.4 109 150 B P H >45S+ 0 0 99 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.909 112.3 49.3 -54.9 -43.2 -50.5 21.6 -2.0 110 151 B Q H 345S+ 0 0 88 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.754 112.6 49.7 -66.4 -29.1 -52.2 18.7 -3.8 111 152 B E H <<5S- 0 0 41 -4,-1.5 -1,-0.3 -3,-0.7 -3,-0.1 0.455 118.7-109.2 -88.0 -4.2 -49.5 16.4 -2.5 112 153 B G T <<5S+ 0 0 64 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.1 0.681 76.3 132.7 84.5 17.6 -49.8 17.5 1.1 113 154 B M < - 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