==== 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 07-APR-06 2GMN . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR V.CALDERONE,M.BENVENUTI,M.STOCZKO,J.D.DOCQUIER,G.M.ROSSOLINI . 528 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.3 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 PARALLEL BRIDGES PER LADDER . 2 0 4 4 2 0 2 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 2 0 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 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 29 A V > > 0 0 126 0, 0.0 3,-1.8 0, 0.0 5,-1.7 0.000 360.0 360.0 360.0 -36.8 -4.6 16.0 -8.2 2 30 A A T 3 5 + 0 0 31 1,-0.3 43,-0.1 3,-0.1 24,-0.1 0.755 360.0 40.5 -61.5 -28.7 -6.8 12.8 -8.2 3 31 A M T 3 5S+ 0 0 161 3,-0.1 -1,-0.3 4,-0.1 0, 0.0 0.172 123.0 42.6-103.9 14.6 -7.7 13.5 -11.9 4 32 A K T X>5S+ 0 0 157 -3,-1.8 3,-1.4 4,-0.1 4,-1.0 0.379 126.4 4.7-117.8-101.2 -4.1 14.6 -12.8 5 33 A K G >45S+ 0 0 73 1,-0.3 3,-0.5 2,-0.2 21,-0.5 0.849 126.7 61.1 -58.9 -35.0 -1.0 12.8 -11.6 6 34 A W G 34 S-A 19 0A 4 3,-1.5 3,-2.6 1,-0.1 -1,-0.3 -0.886 104.0 -49.0-154.9 128.4 12.4 -6.4 -7.5 17 45 A D T 3 S- 0 0 63 -2,-0.3 -1,-0.1 1,-0.3 143,-0.1 -0.238 127.4 -4.9 53.9-120.0 12.2 -10.2 -7.7 18 46 A N T 3 S+ 0 0 21 -4,-0.1 15,-2.4 -3,-0.1 2,-0.5 0.250 112.0 99.9 -92.9 14.3 8.5 -11.2 -7.5 19 47 A I E < -AB 16 32A 0 -3,-2.6 -4,-2.2 13,-0.2 -3,-1.5 -0.899 51.1-174.0-104.2 122.1 7.2 -7.6 -6.9 20 48 A Y E -AB 14 31A 21 11,-2.9 11,-2.4 -2,-0.5 2,-0.5 -0.937 21.5-133.1-118.5 135.2 5.8 -5.8 -10.0 21 49 A Y E +AB 13 30A 0 -8,-2.6 -8,-1.6 -2,-0.4 9,-0.2 -0.786 34.0 159.1 -85.1 124.7 4.7 -2.1 -10.2 22 50 A V + 0 0 0 7,-3.0 33,-0.2 -2,-0.5 8,-0.2 0.081 39.8 106.0-131.0 20.6 1.3 -1.8 -12.0 23 51 A G - 0 0 0 6,-0.8 -13,-0.4 1,-0.2 5,-0.2 0.122 68.5 -92.9 -86.7-159.3 0.1 1.6 -10.7 24 52 A T - 0 0 0 3,-2.7 -1,-0.2 -15,-0.1 5,-0.1 -0.394 47.0 -86.4-106.8-175.2 -0.2 5.1 -12.2 25 53 A D S S+ 0 0 37 -17,-3.2 -19,-0.2 -20,-0.3 196,-0.1 0.680 129.0 24.4 -68.2 -13.4 2.2 8.0 -12.2 26 54 A G S S+ 0 0 0 -21,-0.5 2,-0.4 -18,-0.4 -20,-0.2 0.540 117.5 54.7-131.0 -9.9 0.7 9.0 -8.9 27 55 A I S S- 0 0 0 -22,-0.3 -3,-2.7 -21,-0.2 2,-0.4 -0.998 72.8-139.3-129.6 125.6 -0.8 6.0 -7.1 28 56 A A + 0 0 0 185,-2.1 2,-0.3 -2,-0.4 15,-0.1 -0.727 25.0 170.9 -90.7 129.8 1.3 2.9 -6.5 29 57 A V - 0 0 0 -2,-0.4 -7,-3.0 -5,-0.1 -6,-0.8 -0.977 12.8-160.5-134.0 145.3 -0.2 -0.6 -7.0 30 58 A Y E -BC 21 41A 2 11,-1.8 11,-2.9 -2,-0.3 2,-0.5 -0.959 16.2-151.9-133.5 145.3 1.7 -3.9 -7.0 31 59 A V E -BC 20 40A 0 -11,-2.4 -11,-2.9 -2,-0.3 2,-0.6 -0.964 13.3-160.5-107.9 132.3 1.4 -7.5 -8.1 32 60 A I E -BC 19 39A 0 7,-3.0 7,-2.5 -2,-0.5 2,-0.6 -0.970 13.1-144.8-112.2 116.2 3.2 -10.1 -6.1 33 61 A K E + C 0 38A 56 -15,-2.4 2,-0.2 -2,-0.6 5,-0.2 -0.727 23.9 177.5 -84.6 121.4 3.7 -13.3 -8.0 34 62 A T E > - C 0 37A 6 3,-2.1 3,-1.1 -2,-0.6 103,-0.2 -0.728 44.5-108.0-115.3 169.5 3.6 -16.4 -5.9 35 63 A S T 3 S+ 0 0 62 101,-0.3 102,-0.2 1,-0.2 3,-0.1 0.570 119.9 42.8 -70.3 -8.4 3.8 -20.1 -6.8 36 64 A Q T 3 S- 0 0 129 1,-0.4 -1,-0.2 100,-0.2 2,-0.2 -0.023 127.7 -62.9-129.4 30.9 0.0 -20.4 -6.1 37 65 A G E < -C 34 0A 17 -3,-1.1 -3,-2.1 99,-0.1 -1,-0.4 -0.697 69.7 -49.2 120.8-170.8 -1.4 -17.3 -7.8 38 66 A L E -Cd 33 66A 8 27,-2.7 29,-2.8 -2,-0.2 30,-1.3 -0.768 29.5-150.7-108.6 147.0 -1.1 -13.5 -7.5 39 67 A I E -Cd 32 68A 0 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.6 -0.954 14.2-152.2-107.2 130.0 -1.4 -11.1 -4.6 40 68 A L E -Cd 31 69A 0 28,-2.6 30,-2.9 -2,-0.5 2,-0.8 -0.939 3.1-154.3-100.3 123.9 -2.7 -7.6 -5.5 41 69 A M E -Cd 30 70A 0 -11,-2.9 -11,-1.8 -2,-0.6 30,-0.2 -0.882 59.4 -41.5-100.0 106.1 -1.4 -4.9 -3.2 42 70 A D - 0 0 0 28,-2.9 2,-0.2 -2,-0.8 37,-0.2 0.184 57.9-128.3 67.8 172.4 -4.0 -2.0 -3.3 43 71 A T - 0 0 1 35,-2.5 2,-0.1 1,-0.1 36,-0.1 -0.587 22.4-116.7-131.3-156.5 -5.9 -0.6 -6.2 44 72 A A - 0 0 0 1,-0.3 36,-1.1 -2,-0.2 37,-0.4 -0.365 57.4 -27.8-127.7-154.5 -6.3 3.1 -7.4 45 73 A M > - 0 0 13 -39,-0.3 3,-2.3 32,-0.2 -1,-0.3 -0.262 65.7-109.1 -60.2 151.5 -9.1 5.6 -7.8 46 74 A P G > S+ 0 0 39 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.857 120.2 52.1 -50.1 -37.2 -12.6 4.1 -8.5 47 75 A Q G 3 S+ 0 0 126 1,-0.2 4,-0.2 2,-0.1 3,-0.2 0.489 102.8 60.9 -78.8 -3.7 -12.4 5.4 -12.1 48 76 A S G <> + 0 0 5 -3,-2.3 4,-2.1 1,-0.1 -1,-0.2 0.331 67.2 104.7-106.2 5.6 -9.0 3.8 -12.7 49 77 A T H <> S+ 0 0 3 -3,-0.9 4,-2.5 -4,-0.3 5,-0.2 0.887 81.5 50.2 -59.6 -41.2 -9.8 0.1 -12.2 50 78 A G H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.4 52.9 -62.7 -41.8 -9.8 -0.7 -15.9 51 79 A M H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 109.6 48.0 -57.3 -44.5 -6.4 1.0 -16.2 52 80 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 110.8 50.9 -65.8 -43.7 -5.0 -1.1 -13.3 53 81 A K H X S+ 0 0 41 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.896 109.9 50.7 -60.9 -38.9 -6.3 -4.3 -14.9 54 82 A D H X S+ 0 0 100 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.865 107.4 53.8 -65.9 -37.4 -4.7 -3.3 -18.2 55 83 A N H X S+ 0 0 8 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.902 105.9 52.0 -64.2 -41.3 -1.4 -2.7 -16.4 56 84 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-0.9 0.919 110.2 50.7 -58.1 -41.0 -1.5 -6.2 -14.9 57 85 A A H ><5S+ 0 0 17 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.826 96.6 66.8 -67.9 -34.0 -2.1 -7.5 -18.4 58 86 A K H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 103.3 48.1 -59.3 -26.8 0.9 -5.6 -19.9 59 87 A L T <<5S- 0 0 14 -3,-0.9 217,-1.7 -4,-0.8 -1,-0.3 0.477 121.3-108.7 -88.4 -5.3 3.1 -7.8 -17.8 60 88 A G T < 5S+ 0 0 2 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.549 74.2 137.9 84.3 7.7 1.3 -11.0 -18.9 61 89 A F < - 0 0 11 -5,-1.7 2,-0.5 -6,-0.2 -1,-0.3 -0.593 51.3-128.1 -81.8 151.0 -0.3 -11.5 -15.5 62 90 A K > - 0 0 23 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.898 3.9-149.9-103.5 125.4 -3.9 -12.6 -15.4 63 91 A V G > S+ 0 0 18 -2,-0.5 3,-2.0 1,-0.3 -1,-0.1 0.895 100.6 64.8 -56.0 -36.9 -6.4 -10.7 -13.3 64 92 A A G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 429,-0.0 0.705 92.9 62.4 -57.2 -21.8 -8.2 -14.0 -13.0 65 93 A D G < S+ 0 0 73 -3,-1.9 -27,-2.7 -28,-0.1 2,-0.5 0.444 71.8 116.7 -89.1 0.2 -5.2 -15.4 -11.1 66 94 A I E < +d 38 0A 2 -3,-2.0 -27,-0.2 -4,-0.2 3,-0.1 -0.584 31.8 168.7 -70.5 121.0 -5.5 -12.9 -8.2 67 95 A K E + 0 0 93 -29,-2.8 25,-2.1 -2,-0.5 2,-0.4 0.704 63.3 29.3-103.4 -31.3 -6.2 -14.9 -5.0 68 96 A L E -de 39 92A 14 -30,-1.3 -28,-2.6 23,-0.2 2,-0.5 -0.995 58.2-160.2-135.8 138.8 -5.7 -12.2 -2.4 69 97 A I E -de 40 93A 0 23,-2.8 25,-2.8 -2,-0.4 2,-0.3 -0.991 16.8-165.1-115.7 123.6 -6.1 -8.5 -2.3 70 98 A L E -de 41 94A 0 -30,-2.9 -28,-2.9 -2,-0.5 2,-0.4 -0.861 4.4-150.3-108.5 148.2 -4.2 -6.7 0.5 71 99 A N - 0 0 1 23,-1.7 25,-0.3 -2,-0.3 3,-0.1 -0.944 16.7-167.0-118.4 137.3 -4.8 -3.1 1.6 72 100 A T S S- 0 0 2 -2,-0.4 82,-3.0 1,-0.3 2,-0.3 0.907 82.0 -15.8 -76.9 -55.9 -2.3 -0.6 3.1 73 101 A H - 0 0 0 80,-0.2 2,-1.5 2,-0.1 -1,-0.3 -0.995 67.4-109.1-155.8 156.3 -5.1 1.7 4.1 74 102 A A + 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 33,-0.1 -0.412 65.2 123.1 -93.6 60.4 -8.7 2.3 3.4 75 103 A H S >> S- 0 0 7 -2,-1.5 3,-2.6 33,-0.1 4,-1.5 -0.890 70.9-110.6-110.7 154.3 -9.0 5.6 1.4 76 104 A L H 3> S+ 0 0 14 41,-0.5 4,-1.2 -2,-0.3 5,-0.1 0.700 113.1 64.8 -58.4 -25.4 -10.6 5.8 -2.0 77 105 A D H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -32,-0.2 0.601 117.6 28.0 -76.7 -6.1 -7.3 6.3 -3.9 78 106 A H H <4 S+ 0 0 0 -3,-2.6 -35,-2.5 -5,-0.1 -2,-0.2 0.525 127.1 41.8-121.3 -16.6 -6.2 2.8 -2.8 79 107 A T H >< S+ 0 0 0 -4,-1.5 3,-1.8 -37,-0.2 4,-0.5 0.386 77.4 107.5-112.6 1.4 -9.5 1.0 -2.4 80 108 A G T 3< S+ 0 0 6 -4,-1.2 4,-0.2 -36,-1.1 -35,-0.2 0.690 87.1 37.8 -62.5 -23.2 -11.4 2.2 -5.5 81 109 A G T 3> S+ 0 0 0 -37,-0.4 4,-2.8 -3,-0.2 5,-0.3 0.360 88.0 96.8-107.4 2.8 -11.1 -1.0 -7.4 82 110 A F H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.919 83.5 47.1 -62.2 -50.4 -11.6 -3.5 -4.5 83 111 A A H > S+ 0 0 27 -4,-0.5 4,-1.9 37,-0.4 -1,-0.2 0.925 117.3 45.0 -58.2 -44.6 -15.3 -4.3 -4.9 84 112 A E H > S+ 0 0 94 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.935 116.6 42.3 -66.7 -50.4 -14.9 -4.8 -8.6 85 113 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 6,-0.4 0.905 113.1 53.9 -67.7 -37.6 -11.8 -6.9 -8.6 86 114 A K H X S+ 0 0 37 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.922 111.8 44.2 -60.0 -44.6 -13.0 -9.0 -5.7 87 115 A K H < S+ 0 0 191 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.894 114.9 48.9 -68.8 -39.3 -16.3 -9.9 -7.4 88 116 A E H < S+ 0 0 104 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 125.5 26.5 -65.7 -38.0 -14.5 -10.6 -10.8 89 117 A T H < S- 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.650 92.2-127.7-102.6 -21.7 -11.9 -12.8 -9.3 90 118 A G < + 0 0 64 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.588 55.4 157.7 72.9 12.2 -13.3 -14.3 -6.1 91 119 A A - 0 0 4 -6,-0.4 2,-0.4 -5,-0.3 -23,-0.2 -0.181 42.4-117.0 -63.1 158.1 -10.2 -13.1 -4.3 92 120 A Q E -e 68 0A 109 -25,-2.1 -23,-2.8 -3,-0.1 2,-0.5 -0.825 21.2-133.6 -97.2 140.7 -10.2 -12.6 -0.5 93 121 A L E -e 69 0A 1 -2,-0.4 33,-1.9 30,-0.3 32,-1.8 -0.837 19.1-167.7 -97.1 129.9 -9.6 -9.1 0.9 94 122 A V E +ef 70 126A 2 -25,-2.8 -23,-1.7 -2,-0.5 2,-0.3 -0.970 19.9 150.3-121.4 125.9 -7.1 -8.8 3.7 95 123 A A E - f 0 127A 0 31,-2.0 33,-2.7 -2,-0.4 5,-0.1 -0.987 51.2 -75.2-153.8 158.2 -6.9 -5.5 5.7 96 124 A G E >> - f 0 128A 4 56,-0.4 3,-1.8 -25,-0.3 4,-0.6 -0.324 46.1-123.0 -56.8 133.6 -6.1 -4.1 9.1 97 125 A E G >4 S+ 0 0 104 31,-2.3 3,-1.2 1,-0.3 -1,-0.1 0.817 107.9 55.2 -54.0 -37.6 -8.9 -4.7 11.5 98 126 A R G 34 S+ 0 0 151 1,-0.3 4,-0.3 30,-0.2 -1,-0.3 0.655 104.6 55.2 -76.0 -12.9 -9.5 -1.0 12.4 99 127 A D G <> S+ 0 0 1 -3,-1.8 4,-2.5 53,-0.3 3,-0.3 0.543 82.0 92.9 -90.3 -7.6 -10.0 -0.2 8.7 100 128 A K H S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.886 111.5 49.5 -59.8 -34.7 -15.6 -0.4 9.1 102 130 A L H >>S+ 0 0 7 -3,-0.3 4,-1.9 -4,-0.3 5,-1.0 0.926 113.7 44.6 -66.8 -46.6 -14.2 2.0 6.5 103 131 A L H <5S+ 0 0 0 -4,-2.5 19,-2.4 1,-0.2 -1,-0.2 0.914 115.0 47.8 -62.1 -44.4 -13.9 -0.6 3.8 104 132 A E H <5S+ 0 0 67 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.754 119.8 38.5 -75.7 -21.8 -17.3 -2.1 4.5 105 133 A G H <5S- 0 0 44 -4,-1.5 16,-0.2 -5,-0.3 -1,-0.2 0.654 96.4-135.4 -97.8 -19.5 -19.0 1.3 4.5 106 134 A G T <5 + 0 0 4 -4,-1.9 13,-1.6 1,-0.2 2,-0.3 0.855 60.4 124.1 67.4 37.8 -17.1 3.0 1.6 107 135 A Y < - 0 0 49 -5,-1.0 -1,-0.2 11,-0.2 5,-0.1 -0.856 67.0-111.2-128.6 160.2 -16.6 6.2 3.5 108 136 A Y > - 0 0 12 3,-0.5 3,-2.0 -2,-0.3 6,-0.2 -0.806 47.6-109.8 -86.3 128.3 -13.8 8.6 4.7 109 137 A P T 3 S+ 0 0 8 0, 0.0 79,-0.1 0, 0.0 -1,-0.0 -0.296 100.2 9.1 -65.3 137.6 -13.6 8.5 8.5 110 138 A G T 3 S+ 0 0 34 1,-0.1 78,-0.1 70,-0.1 3,-0.0 0.492 128.8 61.6 72.5 2.9 -14.8 11.7 10.2 111 139 A D X + 0 0 61 -3,-2.0 3,-1.6 76,-0.1 -3,-0.5 -0.234 60.4 149.3-148.9 49.9 -16.2 12.9 6.8 112 140 A E T 3 + 0 0 120 1,-0.3 -4,-0.0 -5,-0.1 5,-0.0 0.672 67.2 56.6 -68.9 -22.3 -18.7 10.2 6.1 113 141 A K T 3 S+ 0 0 201 -6,-0.1 2,-1.3 -5,-0.1 -1,-0.3 0.520 76.9 107.8 -88.1 -5.1 -21.1 12.4 4.1 114 142 A N X - 0 0 51 -3,-1.6 3,-1.9 -6,-0.2 -6,-0.2 -0.600 48.4-173.5 -78.3 96.6 -18.5 13.5 1.6 115 143 A E G > S+ 0 0 148 -2,-1.3 3,-1.0 1,-0.3 -1,-0.2 0.743 79.2 66.8 -64.2 -25.3 -19.5 11.6 -1.5 116 144 A D G 3 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.636 105.2 43.8 -72.9 -11.3 -16.4 12.7 -3.3 117 145 A L G < S+ 0 0 29 -3,-1.9 -41,-0.5 -6,-0.2 -1,-0.2 0.295 94.2 107.1-110.6 4.4 -14.3 10.6 -0.9 118 146 A A < - 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0 0 153 3,-0.2 3,-1.6 4,-0.2 -2,-0.0 -0.956 51.6 -81.7-161.3 153.6 -10.1 -17.8 -20.3 494 257 B D T 3 S+ 0 0 169 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.239 114.4 12.7 -51.5 127.2 -11.3 -21.3 -19.7 495 258 B G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 0, 0.0 3,-0.1 -0.049 105.2 100.1 95.9 -31.1 -14.5 -22.0 -21.6 496 259 B A S < S- 0 0 46 -3,-1.6 -1,-0.3 1,-0.1 -3,-0.2 -0.518 86.9 -83.3 -88.2 155.7 -14.4 -18.9 -23.8 497 260 B P - 0 0 118 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.270 50.2 -99.5 -61.8 145.4 -13.2 -18.9 -27.5 498 261 B N > - 0 0 29 1,-0.2 3,-1.9 -6,-0.1 -6,-0.1 -0.493 29.3-150.4 -65.8 114.8 -9.4 -18.7 -28.0 499 262 B P T 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.634 89.7 72.3 -65.5 -14.7 -8.8 -15.0 -28.9 500 263 B F T 3 S+ 0 0 0 -220,-0.2 2,-0.9 -12,-0.1 -25,-0.4 0.627 77.3 88.8 -75.7 -11.9 -5.7 -16.0 -31.0 501 264 B I < + 0 0 31 -3,-1.9 -27,-0.2 -27,-0.1 -28,-0.1 -0.770 44.7 137.8 -85.8 105.3 -8.1 -17.4 -33.6 502 265 B K > - 0 0 99 -29,-2.3 3,-1.9 -2,-0.9 4,-0.3 -0.700 31.7-168.7-147.9 84.1 -8.9 -14.5 -35.9 503 266 B P T 3 S+ 0 0 75 0, 0.0 -31,-0.4 0, 0.0 4,-0.3 0.665 80.8 55.5 -67.4 -16.5 -8.8 -15.7 -39.6 504 267 B G T 3> S+ 0 0 45 1,-0.2 4,-1.9 -31,-0.1 5,-0.2 0.485 83.3 92.9 -87.8 0.8 -9.0 -12.3 -41.3 505 268 B E H <> S+ 0 0 16 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.867 76.3 53.6 -71.2 -41.8 -5.9 -11.0 -39.5 506 269 B L H > S+ 0 0 6 -34,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.891 110.6 49.6 -61.4 -38.0 -3.1 -11.8 -41.9 507 270 B V H > S+ 0 0 61 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.953 113.9 44.7 -63.6 -47.9 -4.9 -10.0 -44.7 508 271 B T H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.920 116.8 46.1 -59.5 -46.1 -5.5 -6.9 -42.6 509 272 B Y H X S+ 0 0 42 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.908 111.4 50.0 -67.6 -44.5 -2.0 -6.9 -41.3 510 273 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.855 109.1 54.2 -62.1 -35.1 -0.3 -7.5 -44.7 511 274 B T H X S+ 0 0 40 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.929 109.0 47.2 -63.3 -45.2 -2.4 -4.6 -46.1 512 275 B S H X S+ 0 0 64 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.884 112.1 51.2 -62.2 -38.8 -1.1 -2.3 -43.3 513 276 B L H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.886 109.4 49.7 -65.9 -39.9 2.5 -3.5 -44.1 514 277 B S H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.895 110.1 51.0 -65.9 -40.6 2.0 -2.8 -47.8 515 278 B E H X S+ 0 0 116 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.923 112.9 44.8 -63.9 -43.7 0.7 0.7 -47.0 516 279 B D H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.881 109.5 57.3 -66.8 -36.6 3.7 1.4 -44.8 517 280 B F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.933 105.0 50.4 -56.5 -48.9 6.0 -0.1 -47.4 518 281 B D H X S+ 0 0 67 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.894 111.0 49.9 -56.5 -42.1 4.8 2.4 -50.0 519 282 B K H X S+ 0 0 151 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.907 113.0 45.3 -63.7 -43.6 5.4 5.2 -47.5 520 283 B Q H X S+ 0 0 38 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.882 111.5 52.3 -69.7 -38.1 9.0 4.1 -46.8 521 284 B L H X S+ 0 0 33 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.936 111.5 46.6 -63.4 -45.5 9.8 3.5 -50.4 522 285 B A H X S+ 0 0 61 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.893 113.5 49.7 -61.4 -40.1 8.6 7.0 -51.3 523 286 B K H X S+ 0 0 129 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.930 113.7 43.8 -65.6 -46.5 10.6 8.4 -48.3 524 287 B Q H < S+ 0 0 40 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.847 113.2 52.6 -68.2 -33.3 13.8 6.6 -49.3 525 288 B T H >< S+ 0 0 65 -4,-2.3 3,-1.0 -5,-0.2 4,-0.4 0.889 109.1 48.6 -69.0 -40.2 13.4 7.5 -52.9 526 289 B A H >< S+ 0 0 54 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.861 105.9 58.8 -66.7 -35.8 13.0 11.2 -52.1 527 290 B A T 3< S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.532 90.7 72.5 -72.1 -7.8 16.1 11.0 -49.9 528 291 B L T < 0 0 100 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.767 360.0 360.0 -75.1 -27.7 18.1 9.9 -53.0 529 292 B E < 0 0 200 -3,-1.2 -3,-0.0 -4,-0.4 0, 0.0 -0.140 360.0 360.0 -51.3 360.0 18.0 13.4 -54.5