==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACTING IN CYCLIC AMIDES) 28-MAY-91 4BLM . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR J.R.KNOX,P.C.MOEWS . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 68.8 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 . 74 14.5 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 . 2 0.4 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 1 0 0 0 1 1 4 2 5 1 2 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 . 0 2 2 2 2 0 0 2 2 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 . 4 0 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 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 31 A D > 0 0 151 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.5 -16.6 58.5 38.0 2 32 A D H > + 0 0 78 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.905 360.0 44.9 -62.3 -39.4 -12.8 58.5 38.3 3 33 A F H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 110.6 53.7 -68.9 -39.9 -12.9 61.8 36.3 4 34 A A H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 106.5 53.4 -60.5 -41.4 -15.8 63.1 38.5 5 35 A K H X S+ 0 0 69 -4,-2.6 4,-3.8 2,-0.2 -1,-0.2 0.883 107.6 49.3 -60.0 -41.7 -13.7 62.4 41.6 6 36 A L H X S+ 0 0 8 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.920 109.1 53.3 -66.7 -40.2 -10.7 64.5 40.2 7 37 A E H X>S+ 0 0 26 -4,-2.4 5,-1.5 2,-0.2 4,-1.0 0.890 113.6 43.1 -60.4 -37.1 -13.2 67.3 39.4 8 38 A E H <5S+ 0 0 159 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.937 114.8 49.3 -72.5 -47.9 -14.3 67.1 43.1 9 39 A Q H <5S+ 0 0 121 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.813 122.2 32.5 -58.0 -35.3 -10.7 66.8 44.4 10 40 A F H <5S- 0 0 26 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.470 99.2-126.4-105.6 -4.2 -9.4 69.7 42.4 11 41 A D T <5S+ 0 0 120 -4,-1.0 2,-0.3 -3,-0.3 222,-0.3 0.950 71.5 107.9 55.3 56.0 -12.5 72.0 42.3 12 42 A A S > -A 224 0A 30 5,-2.8 4,-2.9 -2,-0.4 3,-0.9 -0.827 14.5-159.6 -86.1 104.9 -5.8 54.8 20.9 21 51 A T T 34 S+ 0 0 21 202,-1.8 -1,-0.2 -2,-1.0 203,-0.1 0.705 85.4 59.5 -59.6 -22.1 -4.7 55.1 17.2 22 52 A G T 34 S+ 0 0 39 201,-0.3 -1,-0.2 200,-0.2 202,-0.1 0.786 124.7 12.0 -79.6 -31.6 -4.1 51.3 17.2 23 53 A T T <4 S- 0 0 59 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.1 0.444 93.7-122.5-123.6 -10.4 -7.6 50.1 18.1 24 54 A N < + 0 0 108 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.552 60.5 149.1 72.8 13.9 -9.7 53.2 17.7 25 55 A R - 0 0 169 -5,-0.4 -5,-2.8 230,-0.1 2,-0.3 -0.423 29.8-156.8 -74.5 151.1 -10.9 52.9 21.3 26 56 A T E -B 19 0A 75 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.873 20.0-154.8-132.5 156.7 -11.6 56.2 23.0 27 57 A V E +B 18 0A 15 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.3 -0.981 26.6 175.9-129.7 128.2 -11.8 57.8 26.5 28 59 A A E +B 17 0A 48 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.998 21.3 166.4-142.8 146.3 -14.0 60.9 26.8 29 60 A Y E S-B 16 0A 45 -13,-2.0 -13,-3.0 -2,-0.3 4,-0.1 -0.846 88.7 -19.8-155.1 111.8 -15.3 63.2 29.6 30 61 A R S > S+ 0 0 109 -2,-0.3 3,-1.4 -15,-0.2 120,-0.4 0.865 83.3 166.4 47.9 48.9 -16.9 66.5 28.5 31 62 A P T 3 + 0 0 21 0, 0.0 120,-2.5 0, 0.0 121,-0.3 0.650 69.6 43.9 -68.6 -20.3 -15.1 66.0 25.1 32 63 A D T 3 S+ 0 0 92 118,-0.2 2,-0.3 117,-0.1 -2,-0.1 0.196 84.9 117.0-109.1 12.0 -17.2 68.6 23.3 33 64 A E < - 0 0 77 -3,-1.4 117,-0.5 -4,-0.1 2,-0.3 -0.640 66.7-119.3 -82.1 135.6 -17.0 71.3 26.1 34 65 A R E +E 149 0B 86 -2,-0.3 2,-0.3 115,-0.1 115,-0.2 -0.554 36.7 168.4 -80.8 138.3 -15.2 74.5 25.1 35 66 A F E -E 148 0B 8 113,-2.2 113,-1.9 -2,-0.3 2,-0.2 -0.955 47.1 -89.2-139.8 155.0 -12.1 75.7 26.9 36 67 A A E -E 147 0B 6 -2,-0.3 111,-0.3 111,-0.2 110,-0.1 -0.546 34.2-147.6 -61.0 130.5 -9.6 78.5 26.2 37 68 A F > + 0 0 1 109,-1.4 3,-1.7 -2,-0.2 -1,-0.2 0.789 30.2 176.8 -76.9 -26.2 -6.9 76.7 24.1 38 69 A A G > - 0 0 0 108,-0.5 3,-1.6 98,-0.3 -1,-0.2 -0.273 65.6 -13.8 57.4-148.4 -4.1 78.9 25.5 39 70 A S G > S+ 0 0 9 165,-0.3 3,-1.6 1,-0.3 4,-0.4 0.495 117.6 86.7 -65.6 -3.8 -0.6 77.9 24.3 40 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.1 1,-0.3 4,-0.8 0.756 77.3 69.8 -62.7 -26.6 -1.8 74.6 22.9 41 72 A I H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.775 81.1 75.6 -61.9 -25.4 -2.6 76.5 19.7 42 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.858 92.6 52.7 -56.3 -37.9 1.2 76.9 19.2 43 74 A A H <> S+ 0 0 3 -3,-1.1 4,-2.1 -4,-0.4 -1,-0.2 0.928 110.6 45.6 -62.7 -44.0 1.3 73.3 18.0 44 75 A L H X S+ 0 0 1 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.865 110.3 55.2 -67.9 -35.9 -1.4 73.8 15.5 45 76 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.832 108.4 46.9 -65.2 -41.6 0.3 77.1 14.3 46 77 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.881 107.1 58.8 -66.3 -36.9 3.6 75.3 13.6 47 78 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 110.2 43.3 -55.1 -44.9 1.6 72.6 11.8 48 79 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.911 111.0 53.7 -69.3 -41.9 0.3 75.4 9.5 49 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 109.5 50.2 -53.1 -50.4 3.7 77.0 9.1 50 81 A L H < S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.4 50.6 -57.6 -45.6 5.1 73.6 8.0 51 82 A Q H < S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.8 50.2 -63.3 -33.1 2.4 73.0 5.4 52 83 A Q H < S+ 0 0 82 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.809 111.9 42.9 -77.5 -31.2 3.1 76.5 4.0 53 86 A K S < S- 0 0 40 -4,-1.8 2,-0.1 -3,-0.2 5,-0.0 -0.810 75.3-119.8-120.2 157.3 6.9 76.3 3.6 54 87 A S > - 0 0 28 -2,-0.3 4,-0.6 1,-0.1 3,-0.1 -0.445 41.8-105.3 -81.5 167.5 9.6 73.8 2.4 55 88 A I T >4 S+ 0 0 38 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.890 123.5 54.5 -60.0 -38.1 12.1 72.8 5.1 56 89 A E G >4 S+ 0 0 124 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.907 99.2 60.7 -63.1 -42.1 14.7 75.0 3.3 57 90 A D G >4 S+ 0 0 82 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.649 88.9 74.1 -59.3 -18.4 12.3 78.1 3.5 58 91 A L G << S+ 0 0 2 -3,-1.2 29,-2.9 -4,-0.6 30,-0.3 0.556 81.2 70.8 -71.5 -11.4 12.5 77.7 7.4 59 92 A N G < + 0 0 103 -3,-1.9 -1,-0.3 27,-0.2 -2,-0.2 0.452 69.4 121.1 -83.0 -2.4 16.0 79.1 7.3 60 93 A Q < - 0 0 79 -3,-1.5 26,-1.9 25,-0.1 2,-0.4 -0.364 64.4-128.1 -65.6 137.0 14.6 82.5 6.4 61 94 A R E -F 85 0C 122 24,-0.2 2,-0.4 25,-0.1 24,-0.3 -0.759 16.6-153.7 -93.6 137.8 15.6 85.0 9.1 62 95 A I E -F 84 0C 13 22,-3.7 22,-1.9 -2,-0.4 2,-0.3 -0.939 5.5-155.0-112.2 130.1 13.1 87.2 10.8 63 96 A T + 0 0 114 -2,-0.4 2,-0.3 20,-0.2 17,-0.1 -0.743 22.7 158.6-103.6 149.5 14.1 90.6 12.3 64 97 A Y - 0 0 13 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.928 24.7-135.4-158.8 172.1 12.2 92.2 15.2 65 98 A T > - 0 0 75 -2,-0.3 3,-2.0 4,-0.0 4,-0.2 -0.698 42.6 -86.1-128.5-179.6 12.5 94.7 17.9 66 99 A R G > S+ 0 0 191 1,-0.3 3,-0.9 -2,-0.2 11,-0.0 0.635 121.1 68.9 -62.4 -21.3 11.7 95.1 21.6 67 100 A D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.620 95.4 54.8 -74.5 -15.7 8.2 96.3 20.5 68 101 A D G < S+ 0 0 65 -3,-2.0 -1,-0.2 2,-0.0 2,-0.2 0.428 88.3 97.9 -92.7 -10.0 7.5 92.8 19.3 69 102 A L < - 0 0 34 -3,-0.9 2,-0.1 -4,-0.2 4,-0.0 -0.569 53.2-179.1 -79.8 148.0 8.3 91.3 22.7 70 103 A V - 0 0 50 -2,-0.2 3,-0.2 64,-0.0 -1,-0.1 0.045 49.7 -53.5-119.5-135.7 5.3 90.6 24.9 71 104 A N S S+ 0 0 107 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.716 124.3 31.8 -84.7 -26.9 5.0 89.2 28.5 72 105 A Y + 0 0 110 1,-0.0 27,-2.8 25,-0.0 28,-0.6 -0.827 60.0 147.6-142.8 99.1 7.0 86.0 28.0 73 106 A N > + 0 0 15 -2,-0.3 4,-2.4 -3,-0.2 5,-0.2 -0.402 7.1 160.0-127.0 57.3 9.9 85.8 25.6 74 107 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.796 84.1 18.4 -49.8 -45.7 12.5 83.4 27.0 75 108 A I T >4 S+ 0 0 32 2,-0.1 3,-1.5 17,-0.1 4,-0.3 0.825 122.6 56.8 -91.8 -47.8 14.3 82.8 23.8 76 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.844 97.0 63.1 -55.7 -39.3 13.3 85.7 21.6 77 110 A E G 3< S+ 0 0 113 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.737 100.3 55.7 -64.8 -23.1 14.5 88.3 24.1 78 111 A K G < S+ 0 0 129 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.474 107.9 47.4 -85.3 -9.2 18.1 87.0 23.6 79 112 A H <> + 0 0 62 -3,-1.6 4,-3.2 -4,-0.3 3,-0.2 0.098 65.0 116.9-122.5 22.8 18.1 87.5 19.8 80 113 A V T 4 S+ 0 0 60 -3,-0.5 -16,-0.5 1,-0.2 -1,-0.1 0.844 78.3 55.5 -56.0 -41.2 16.8 91.0 19.1 81 114 A D T 4 S+ 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.910 123.0 21.6 -61.2 -46.1 20.1 92.1 17.6 82 115 A T T 4 S- 0 0 77 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.638 96.4-135.3-101.8 -18.7 20.3 89.3 15.0 83 116 A G < - 0 0 2 -4,-3.2 2,-0.3 -7,-0.1 -1,-0.2 -0.324 23.0-104.3 86.9-178.6 16.7 88.1 14.5 84 117 A M E -F 62 0C 3 -22,-1.9 -22,-3.7 -2,-0.1 2,-0.1 -0.949 24.1-110.7-144.2 154.0 15.9 84.3 14.4 85 118 A T E > -F 61 0C 16 -2,-0.3 4,-2.1 -24,-0.3 3,-0.3 -0.434 34.9-108.2 -79.8 164.5 15.1 82.0 11.5 86 119 A L H > S+ 0 0 0 -26,-1.9 4,-2.6 -28,-0.3 5,-0.2 0.867 122.1 57.3 -59.1 -36.7 11.6 80.5 11.2 87 120 A K H > S+ 0 0 88 -29,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.892 108.5 44.9 -61.2 -38.6 13.0 77.2 12.3 88 121 A E H > S+ 0 0 85 -30,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.853 111.9 51.5 -72.1 -39.3 14.4 78.8 15.5 89 122 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.899 109.5 50.9 -64.0 -45.0 11.1 80.6 16.2 90 123 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 111.9 48.0 -58.5 -44.3 9.2 77.3 15.8 91 124 A D H X S+ 0 0 38 -4,-2.0 4,-2.7 -5,-0.2 5,-0.4 0.902 113.7 45.9 -63.2 -46.4 11.6 75.7 18.2 92 125 A A H X S+ 0 0 1 -4,-2.5 6,-1.8 2,-0.2 4,-1.4 0.877 113.1 50.5 -64.0 -43.8 11.2 78.5 20.8 93 126 A S H X S+ 0 0 0 -4,-3.0 4,-0.6 4,-0.2 -2,-0.2 0.932 119.0 36.3 -58.9 -52.5 7.4 78.5 20.4 94 127 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.911 125.4 32.2 -70.5 -49.0 7.0 74.8 20.9 95 128 A R H < S+ 0 0 42 -4,-2.7 87,-2.0 -5,-0.2 88,-0.2 0.671 133.9 25.9 -89.2 -22.5 9.7 73.9 23.5 96 129 A Y H < S- 0 0 75 -4,-1.4 -3,-0.2 -5,-0.4 3,-0.2 0.392 96.8-125.6-114.6 -7.7 9.7 77.1 25.6 97 130 A S < - 0 0 14 -4,-0.6 2,-0.3 -5,-0.3 -4,-0.2 0.863 38.2-170.7 57.0 42.7 6.2 78.3 24.9 98 131 A D > - 0 0 0 -6,-1.8 4,-1.4 1,-0.2 -25,-0.2 -0.466 14.5-158.6 -68.6 122.1 7.7 81.7 23.7 99 132 A N H > S+ 0 0 10 -27,-2.8 4,-1.8 -2,-0.3 34,-0.3 0.868 90.5 48.6 -71.6 -42.9 4.9 84.2 23.2 100 133 A A H > S+ 0 0 0 -28,-0.6 4,-2.5 2,-0.2 5,-0.2 0.881 107.7 57.3 -62.7 -41.6 6.7 86.6 20.9 101 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.931 107.1 49.0 -56.6 -41.2 7.8 83.5 18.8 102 135 A Q H X S+ 0 0 1 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.937 110.9 49.1 -64.6 -46.3 4.1 82.7 18.4 103 136 A N H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.798 112.0 48.5 -62.6 -37.9 3.2 86.3 17.4 104 137 A L H X S+ 0 0 14 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.873 113.9 45.8 -70.6 -44.3 6.0 86.4 14.8 105 138 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.923 110.7 54.2 -62.2 -46.1 5.1 83.1 13.3 106 139 A L H <>S+ 0 0 2 -4,-2.7 5,-3.6 1,-0.3 4,-0.5 0.900 107.1 51.0 -54.7 -46.3 1.4 84.1 13.3 107 140 A K H ><5S+ 0 0 144 -4,-1.8 3,-0.9 3,-0.2 -1,-0.3 0.868 106.3 56.3 -61.2 -34.3 2.3 87.2 11.3 108 141 A Q H 3<5S+ 0 0 73 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.7 43.9 -67.4 -35.3 4.2 85.1 8.8 109 142 A I T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.372 129.0 -91.1 -91.7 3.7 1.1 82.9 8.1 110 143 A G T < 5 - 0 0 51 -3,-0.9 4,-0.5 -4,-0.5 -3,-0.2 0.558 66.6 -81.1 103.4 9.8 -1.3 85.8 7.8 111 144 A G >>< - 0 0 9 -5,-3.6 4,-2.1 -6,-0.2 3,-0.6 -0.129 69.1 -48.0 89.9 174.5 -2.6 86.3 11.4 112 145 A P H 3> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.864 133.1 56.7 -56.0 -38.0 -5.3 84.5 13.4 113 146 A E H 3> S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.852 108.8 45.8 -64.5 -37.5 -7.9 84.8 10.5 114 147 A S H <> S+ 0 0 31 -3,-0.6 4,-2.1 -4,-0.5 -1,-0.2 0.850 111.3 53.1 -72.8 -32.8 -5.6 83.0 8.1 115 148 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 107.7 52.0 -63.8 -42.2 -4.9 80.4 10.8 116 149 A K H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 3,-0.5 0.974 108.8 49.7 -55.8 -56.0 -8.6 79.9 11.2 117 150 A K H X S+ 0 0 144 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.850 110.0 50.8 -50.7 -44.2 -9.0 79.4 7.4 118 151 A E H X S+ 0 0 18 -4,-2.1 4,-0.9 2,-0.2 -1,-0.3 0.849 110.4 48.6 -68.3 -35.8 -6.2 76.8 7.3 119 152 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 -3,-0.5 3,-0.4 0.895 110.7 50.7 -68.7 -43.2 -7.7 74.8 10.2 120 153 A R H ><5S+ 0 0 61 -4,-2.5 3,-3.1 1,-0.3 -2,-0.2 0.977 106.5 56.0 -56.6 -50.0 -11.2 74.8 8.5 121 154 A K H 3<5S+ 0 0 134 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.802 105.2 52.9 -53.7 -31.5 -9.5 73.6 5.3 122 155 A I T 3<5S- 0 0 18 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.493 128.5 -95.5 -84.5 -3.1 -8.2 70.6 7.4 123 156 A G T < 5S+ 0 0 60 -3,-3.1 2,-0.9 -4,-0.4 -3,-0.2 0.377 83.4 130.4 106.9 -0.4 -11.6 69.7 8.7 124 157 A D < + 0 0 7 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.791 18.7 164.3 -91.6 103.7 -11.6 71.5 12.0 125 158 A E S S+ 0 0 132 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.319 70.8 56.1 -99.8 9.2 -14.8 73.6 12.3 126 159 A V S S+ 0 0 44 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.883 75.4 88.7-104.9 -48.3 -14.4 74.1 16.0 127 160 A T - 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0 0 14 -4,-0.9 2,-0.4 -5,-0.4 -4,-0.2 0.855 37.6-171.1 63.5 36.2 35.1 12.2 8.2 355 131 B D > - 0 0 0 -6,-2.1 4,-1.6 1,-0.2 -1,-0.2 -0.515 11.6-159.3 -63.7 115.8 35.8 8.9 9.9 356 132 B N H > S+ 0 0 11 -27,-2.0 4,-2.0 -2,-0.4 34,-0.3 0.830 88.8 50.8 -68.0 -43.3 32.9 6.6 9.0 357 133 B A H > S+ 0 0 0 -28,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.826 108.4 55.2 -64.3 -33.7 33.3 4.1 11.8 358 134 B A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 105.8 51.0 -63.0 -47.2 33.3 7.1 14.2 359 135 B Q H X S+ 0 0 2 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.916 111.6 48.5 -53.8 -50.3 30.0 8.3 12.8 360 136 B N H X S+ 0 0 17 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.865 110.1 50.2 -59.8 -45.6 28.5 4.8 13.3 361 137 B L H X S+ 0 0 13 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.837 113.6 46.4 -64.1 -33.1 29.7 4.6 16.9 362 138 B I H >X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 3,-0.5 0.933 108.5 55.4 -71.1 -46.8 28.2 8.0 17.7 363 139 B L H 3<>S+ 0 0 3 -4,-2.9 5,-3.0 1,-0.3 3,-0.3 0.869 104.7 54.9 -52.7 -42.2 25.0 7.1 16.0 364 140 B K H ><5S+ 0 0 123 -4,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.857 102.4 55.8 -62.3 -38.3 24.7 4.1 18.2 365 141 B Q H <<5S+ 0 0 66 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.798 110.2 45.6 -62.5 -36.3 25.0 6.2 21.4 366 142 B I T 3<5S- 0 0 10 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.267 128.1 -93.7 -91.7 8.3 22.1 8.3 20.3 367 143 B G T < 5 - 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