==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-11 3V5M . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR F.VAN DEN AKKER,E.A.RODKEY . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 70.9 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 . 40 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 1 0 0 1 2 2 1 1 0 0 1 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 . 1 2 0 1 0 0 1 2 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 . 1 1 0 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 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 26 A S 0 0 67 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 145.7 36.7 30.5 10.0 2 27 A P - 0 0 33 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.164 360.0 -66.8 -71.8 175.8 36.8 31.0 13.8 3 28 A Q > - 0 0 92 1,-0.1 4,-2.8 258,-0.1 5,-0.2 -0.276 55.8-103.3 -59.7 154.3 35.1 28.6 16.2 4 29 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.891 121.1 46.3 -49.5 -51.8 31.2 28.6 16.0 5 30 A L H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.896 112.9 50.5 -59.9 -40.8 30.7 30.7 19.2 6 31 A E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 111.9 47.7 -64.1 -42.9 33.3 33.2 18.1 7 32 A Q H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.887 108.3 53.9 -65.5 -41.6 31.7 33.5 14.7 8 33 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.929 110.6 47.9 -56.1 -44.3 28.3 33.9 16.2 9 34 A K H X S+ 0 0 117 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 109.6 52.2 -63.0 -44.1 29.7 36.8 18.3 10 35 A L H X S+ 0 0 69 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.846 106.0 55.1 -59.9 -37.3 31.3 38.3 15.3 11 36 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 6,-0.3 0.896 107.8 48.3 -63.3 -42.8 28.0 38.2 13.5 12 37 A E H X>S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.2 5,-0.6 0.903 111.5 50.7 -63.4 -42.2 26.2 40.2 16.3 13 38 A S H <5S+ 0 0 91 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.909 115.9 41.8 -58.8 -44.3 29.0 42.8 16.3 14 39 A Q H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 121.8 38.6 -74.7 -36.8 28.7 43.2 12.5 15 40 A L H <5S- 0 0 5 -4,-2.7 228,-0.4 -5,-0.2 -1,-0.2 0.680 92.4-137.2 -85.7 -17.7 24.9 43.2 12.3 16 41 A S T <5S+ 0 0 94 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.757 71.9 103.3 57.5 28.1 24.2 45.2 15.4 17 42 A G S -A 232 0A 36 5,-2.4 4,-2.2 -2,-0.3 207,-0.3 -0.506 27.8-145.9 -66.0 128.6 22.4 16.1 17.3 26 51 A L T 4 S+ 0 0 22 205,-2.7 -1,-0.2 -2,-0.3 206,-0.1 0.928 92.9 46.9 -64.0 -43.9 19.3 15.0 15.5 27 52 A A T 4 S+ 0 0 85 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.910 130.1 16.6 -68.2 -41.3 19.3 11.4 16.7 28 53 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.698 90.9-122.7-108.0 -23.2 20.0 12.1 20.4 29 54 A G < + 0 0 14 -4,-2.2 -3,-0.1 1,-0.3 -2,-0.0 0.491 49.3 162.7 86.0 1.6 19.2 15.8 21.1 30 55 A R - 0 0 125 -6,-0.1 -5,-2.4 1,-0.1 2,-0.6 -0.328 35.8-135.1 -49.6 133.2 22.7 16.5 22.5 31 56 A T E +B 24 0A 72 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.903 30.3 171.7 -96.8 119.1 23.2 20.2 22.4 32 57 A L E + 0 0 31 -9,-2.9 2,-0.4 -2,-0.6 -8,-0.2 0.816 68.3 17.5 -94.1 -42.0 26.6 21.2 21.0 33 58 A T E +B 23 0A 9 -10,-1.4 -10,-2.3 -29,-0.0 2,-0.4 -0.999 62.8 176.5-134.4 137.4 26.3 25.0 20.7 34 59 A A E +B 22 0A 54 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.977 3.8 169.0-142.0 124.0 23.8 27.3 22.4 35 60 A W E S-B 21 0A 54 -14,-2.6 -14,-2.8 -2,-0.4 4,-0.1 -0.980 80.0 -17.6-138.8 121.5 23.7 31.1 22.1 36 61 A R S > S+ 0 0 71 -2,-0.4 3,-1.6 -16,-0.2 123,-0.1 0.846 87.0 157.1 50.5 37.7 20.8 33.1 23.4 37 62 A A T 3 + 0 0 11 1,-0.3 122,-2.5 121,-0.1 123,-0.5 0.714 66.3 45.0 -71.4 -17.8 19.0 29.8 23.2 38 63 A D T 3 S+ 0 0 140 120,-0.1 -1,-0.3 119,-0.1 2,-0.3 0.272 93.2 101.3-105.3 6.7 16.3 30.7 25.7 39 64 A E S < S- 0 0 60 -3,-1.6 2,-0.3 -4,-0.1 120,-0.1 -0.668 76.6-107.9 -92.1 151.6 15.6 34.2 24.2 40 65 A R + 0 0 120 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.546 37.1 174.0 -81.8 140.4 12.6 34.9 22.0 41 66 A F E -E 156 0B 0 115,-2.5 115,-2.3 -2,-0.3 2,-0.1 -0.993 41.0 -98.3-138.5 144.0 12.9 35.5 18.3 42 67 A P E -E 155 0B 6 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.435 26.9-148.7 -57.5 130.8 10.2 35.9 15.6 43 68 A M > + 0 0 4 111,-2.3 3,-1.8 -2,-0.1 4,-0.1 0.778 29.2 174.3 -68.8 -30.2 9.7 32.6 13.8 44 69 A V G > - 0 0 0 110,-0.5 3,-1.8 100,-0.4 4,-0.1 -0.164 69.4 -14.9 44.2-138.7 8.8 34.2 10.5 45 70 A S G > S+ 0 0 13 1,-0.3 3,-1.8 167,-0.2 -1,-0.3 0.602 121.9 82.9 -71.0 -11.8 8.4 31.6 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.6 0.750 74.6 75.1 -63.1 -20.3 10.1 28.9 9.8 47 72 A F H <> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.3 -1,-0.3 0.740 75.9 79.4 -62.1 -19.2 6.8 28.2 11.6 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.765 86.0 57.4 -65.8 -23.1 5.5 26.5 8.5 49 74 A V H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.2 0.956 109.5 44.0 -69.8 -44.2 7.5 23.3 9.4 50 75 A V H X S+ 0 0 1 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.907 110.7 57.6 -65.2 -42.1 5.6 23.1 12.8 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.941 108.1 44.4 -50.4 -51.1 2.4 23.9 10.9 52 77 A a H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.817 107.0 60.0 -73.9 -23.4 2.7 20.9 8.7 53 78 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.903 106.2 48.8 -60.4 -42.2 3.7 18.7 11.7 54 79 A A H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 110.4 50.8 -65.1 -39.3 0.3 19.6 13.1 55 80 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 110.6 48.8 -60.6 -47.0 -1.3 18.7 9.8 56 81 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.859 105.5 57.2 -63.0 -34.9 0.5 15.3 9.7 57 82 A A H X S+ 0 0 27 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.921 108.0 48.3 -63.9 -42.6 -0.6 14.6 13.3 58 83 A R H <>S+ 0 0 69 -4,-1.9 5,-2.6 2,-0.2 6,-0.9 0.885 109.7 52.0 -62.2 -39.5 -4.2 15.0 12.1 59 84 A V H ><5S+ 0 0 38 -4,-2.1 3,-1.6 4,-0.2 -2,-0.2 0.943 108.6 50.9 -59.0 -48.0 -3.5 12.7 9.2 60 85 A D H 3<5S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.7 50.8 -60.1 -34.4 -2.1 10.1 11.6 61 86 A A T 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.454 117.4-112.4 -81.6 -4.5 -5.2 10.4 13.7 62 87 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.606 90.9 111.0 81.4 13.2 -7.6 9.9 10.7 63 88 A D S - 0 0 114 -2,-0.3 3,-1.2 1,-0.1 29,-0.4 -0.998 16.9-142.1-133.0 138.0 -5.9 13.3 4.5 66 91 A L T 3 S+ 0 0 26 -2,-0.4 29,-2.7 1,-0.3 30,-0.4 0.783 106.0 58.1 -64.8 -24.8 -3.0 14.7 2.5 67 92 A E T 3 S+ 0 0 137 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.683 77.5 117.6 -73.7 -20.4 -5.1 13.8 -0.6 68 93 A R < - 0 0 95 -3,-1.2 26,-1.8 25,-0.1 2,-0.5 -0.285 63.0-133.3 -61.3 125.3 -8.0 16.0 0.4 69 94 A K E -G 93 0C 95 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.679 16.3-159.3 -83.8 127.8 -8.7 18.8 -2.1 70 95 A I E -G 92 0C 24 22,-3.3 22,-2.0 -2,-0.5 2,-0.4 -0.886 2.3-159.0-104.8 127.0 -9.2 22.2 -0.7 71 96 A H + 0 0 119 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.819 18.1 172.7-101.6 144.1 -11.0 24.8 -2.8 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.889 24.2-116.2-145.4 174.0 -10.5 28.5 -2.1 73 98 A R > - 0 0 167 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.791 27.0-114.0-118.0 158.3 -11.3 32.0 -3.4 74 99 A Q G > S+ 0 0 143 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.845 115.6 62.7 -58.9 -36.6 -9.2 34.8 -4.7 75 100 A Q G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.665 96.1 62.0 -60.9 -17.5 -10.3 37.0 -1.7 76 101 A D G < S+ 0 0 68 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.611 83.3 104.5 -81.5 -16.5 -8.6 34.3 0.5 77 102 A L < - 0 0 43 -3,-1.6 2,-0.2 -4,-0.4 4,-0.1 -0.457 49.9-170.3 -75.7 141.3 -5.2 35.1 -1.0 78 103 A V - 0 0 48 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.649 44.8 -51.7-116.0 175.8 -2.6 37.1 0.9 79 104 A D S S+ 0 0 123 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.275 116.0 21.4 -54.4 128.8 0.8 38.5 -0.3 80 105 A Y + 0 0 128 27,-0.1 27,-2.8 1,-0.1 28,-0.5 0.972 63.1 153.8 75.1 87.7 3.1 36.0 -2.0 81 106 A S > + 0 0 7 25,-0.2 4,-2.3 26,-0.2 5,-0.3 -0.459 3.1 160.2-136.2 57.7 1.1 33.1 -3.3 82 107 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.802 82.1 24.5 -61.4 -32.1 3.2 31.7 -6.2 83 108 A V T >4 S+ 0 0 33 2,-0.1 3,-1.5 -3,-0.1 4,-0.2 0.876 121.2 52.5 -94.5 -50.5 1.6 28.3 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 7,-0.1 0.812 100.4 61.9 -63.7 -29.5 -1.8 28.9 -4.7 85 110 A E G >< S+ 0 0 115 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.764 99.1 59.7 -68.8 -19.7 -2.7 31.8 -7.1 86 111 A K G < S+ 0 0 155 -3,-1.5 -1,-0.3 -5,-0.3 3,-0.2 0.533 101.8 53.6 -79.2 -5.7 -2.5 29.3 -9.9 87 112 A H G <> + 0 0 46 -3,-1.6 4,-2.4 -4,-0.2 -15,-0.3 -0.050 59.3 120.8-130.9 31.9 -5.2 27.0 -8.6 88 113 A L T <4 S+ 0 0 58 -3,-0.5 -16,-0.3 1,-0.2 -1,-0.1 0.848 86.0 40.9 -59.8 -36.0 -8.3 29.1 -8.0 89 114 A A T 4 S+ 0 0 100 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.876 128.1 26.7 -80.1 -39.1 -10.3 26.9 -10.4 90 115 A D T 4 S- 0 0 74 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.570 94.1-141.4-110.3 -8.4 -9.0 23.5 -9.4 91 116 A G < - 0 0 1 -4,-2.4 2,-0.3 -7,-0.1 -20,-0.2 -0.101 15.6 -99.7 74.0 178.3 -7.9 23.7 -5.8 92 117 A M E -G 70 0C 2 -22,-2.0 -22,-3.3 -4,-0.1 2,-0.1 -0.990 26.8-114.2-138.7 144.6 -4.9 22.1 -4.0 93 118 A T E > -G 69 0C 31 -2,-0.3 4,-2.5 -24,-0.3 -24,-0.2 -0.374 32.2-110.8 -72.6 158.7 -4.6 19.0 -1.9 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.3 -29,-0.4 -28,-0.2 0.924 122.3 49.7 -54.6 -43.7 -3.6 19.4 1.8 95 120 A G H > S+ 0 0 12 -29,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.898 109.4 50.2 -65.0 -40.2 -0.3 17.7 0.9 96 121 A E H > S+ 0 0 88 -30,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.847 108.4 54.2 -62.3 -37.0 0.2 20.1 -2.0 97 122 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.923 108.7 47.7 -64.5 -43.9 -0.5 23.0 0.3 98 123 A a H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.915 112.0 50.1 -62.5 -42.4 2.2 21.8 2.7 99 124 A A H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 5,-0.5 0.932 112.9 46.7 -61.6 -41.3 4.7 21.4 -0.1 100 125 A A H X S+ 0 0 3 -4,-2.6 6,-2.1 3,-0.2 4,-1.4 0.923 114.7 47.0 -66.7 -41.6 3.8 24.9 -1.4 101 126 A A H X S+ 0 0 0 -4,-2.9 4,-1.0 4,-0.3 -2,-0.2 0.947 123.4 31.6 -62.8 -48.7 4.1 26.4 2.1 102 127 A I H < S+ 0 0 0 -4,-2.9 108,-0.2 -5,-0.2 -2,-0.2 0.921 127.0 37.9 -78.1 -46.6 7.4 24.7 3.0 103 128 A T H < S+ 0 0 15 -4,-2.7 87,-2.5 -5,-0.4 88,-0.6 0.689 137.2 17.0 -89.2 -14.4 9.2 24.5 -0.4 104 129 A M H < S- 0 0 68 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.2 0.387 93.7-124.9-127.3 -3.2 8.0 27.8 -1.7 105 130 A S < - 0 0 14 -4,-1.0 2,-0.4 -5,-0.3 -4,-0.3 0.866 39.2-176.1 51.5 37.1 6.9 29.7 1.5 106 131 A D > - 0 0 0 -6,-2.1 4,-1.6 1,-0.2 -25,-0.2 -0.543 12.6-158.3 -59.1 115.0 3.5 30.2 -0.3 107 132 A N H > S+ 0 0 16 -27,-2.8 4,-2.1 -2,-0.4 34,-0.3 0.841 86.9 50.8 -74.0 -37.2 1.7 32.4 2.3 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.6 -30,-0.3 5,-0.2 0.912 107.7 54.7 -66.8 -41.8 -1.8 31.7 1.2 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.934 108.4 50.3 -54.7 -44.8 -1.1 27.9 1.4 110 135 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.905 110.4 48.0 -60.6 -44.4 0.1 28.4 5.0 111 136 A N H X S+ 0 0 21 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.896 109.5 53.1 -66.0 -37.6 -3.1 30.3 6.0 112 137 A L H X S+ 0 0 31 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.931 113.2 44.0 -60.2 -45.4 -5.3 27.6 4.3 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.877 108.7 57.7 -65.4 -39.3 -3.5 25.0 6.4 114 139 A L H ><>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-0.8 0.904 102.5 55.3 -59.8 -39.8 -3.6 27.1 9.5 115 140 A A H ><5S+ 0 0 61 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.934 103.8 55.0 -57.0 -44.1 -7.4 27.2 9.2 116 141 A T H 3<5S+ 0 0 30 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.706 109.0 46.4 -65.6 -21.2 -7.5 23.4 9.2 117 142 A V T <<5S- 0 0 17 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.247 129.5 -87.5-104.4 9.1 -5.6 23.1 12.5 118 143 A G T <>5 - 0 0 52 -3,-1.7 4,-1.4 -4,-0.2 3,-0.3 0.702 66.3 -88.3 95.0 22.1 -7.6 25.7 14.4 119 144 A G H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.889 142.7 52.5 -49.6 -43.1 -2.8 30.3 15.4 121 146 A A H > S+ 0 0 76 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.882 108.3 50.3 -64.3 -39.9 -4.5 29.2 18.7 122 147 A G H X S+ 0 0 20 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.864 110.8 48.2 -63.5 -42.3 -4.9 25.6 17.4 123 148 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.900 111.4 50.2 -68.3 -40.6 -1.2 25.4 16.4 124 149 A T H X S+ 0 0 23 -4,-2.5 4,-2.4 13,-0.3 -2,-0.2 0.929 108.5 52.6 -62.9 -40.7 -0.1 26.8 19.7 125 150 A A H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 108.3 51.9 -59.7 -39.6 -2.3 24.2 21.4 126 151 A F H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.925 106.8 52.8 -61.4 -44.8 -0.6 21.5 19.3 127 152 A L H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.928 108.9 49.4 -55.7 -46.1 2.8 22.8 20.4 128 153 A R H ><5S+ 0 0 86 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.880 106.6 57.1 -61.1 -37.8 1.7 22.5 24.1 129 154 A Q H 3<5S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 107.0 47.8 -63.7 -30.2 0.5 18.9 23.4 130 155 A I T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.373 127.0 -99.2 -93.4 8.4 4.0 18.0 22.2 131 156 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.9 1,-0.3 -3,-0.2 0.615 79.7 133.8 89.1 11.4 5.6 19.6 25.2 132 157 A D < + 0 0 6 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.870 22.5 172.0 -92.3 107.9 6.7 22.9 23.8 133 158 A N S S+ 0 0 119 -2,-0.9 -1,-0.1 -3,-0.1 -5,-0.1 0.283 70.1 47.7 -97.9 12.1 5.6 25.4 26.4 134 159 A V S S+ 0 0 53 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.773 82.1 86.5-120.4 -50.2 7.3 28.4 24.8 135 160 A T - 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.306 55.1-178.8 -61.7 141.1 6.7 28.7 21.1 136 161 A R B -F 155 0B 75 19,-2.5 19,-0.5 16,-0.1 2,-0.5 -0.995 22.5-159.8-146.2 134.9 3.5 30.6 20.2 137 162 A L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.976 20.8 161.2-110.6 133.3 1.7 31.6 17.0 138 163 A D + 0 0 58 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.618 56.2 38.7-120.4 -28.0 -0.7 34.5 17.4 139 164 A R - 0 0 31 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.709 69.8-118.1-128.7 172.4 -1.3 35.8 13.9 140 165 A W > - 0 0 99 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.461 58.0 -37.9 -98.8 172.0 -1.8 34.7 10.3 141 166 A E T 4 S+ 0 0 1 1,-0.3 -1,-0.1 -34,-0.3 -62,-0.0 -0.597 120.3 8.7 -68.9 139.3 0.3 35.5 7.2 142 167 A T T >4 S+ 0 0 45 -2,-0.2 3,-1.8 -64,-0.1 -1,-0.3 -0.982 119.9 60.2-104.5 5.9 1.6 38.0 6.6 143 168 A E G >4 S+ 0 0 113 -3,-0.3 3,-1.8 1,-0.3 -2,-0.2 0.772 91.5 74.3 -62.1 -25.2 1.1 40.0 9.9 144 169 A L G 3< S+ 0 0 2 -4,-2.0 -100,-0.4 1,-0.3 3,-0.4 0.627 88.0 62.5 -65.2 -10.9 3.0 37.3 11.8 145 170 A N G < + 0 0 19 -3,-1.8 69,-2.4 1,-0.2 -1,-0.3 0.306 69.5 104.8 -91.4 8.4 6.3 38.7 10.3 146 171 A E < - 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0 0 5 -2,-0.2 4,-2.8 -117,-0.2 5,-0.3 -0.933 27.2-116.0-122.1 156.0 13.4 30.3 21.2 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.933 116.9 47.8 -56.3 -42.3 16.3 28.5 19.5 159 184 A A H > S+ 0 0 27 -122,-2.5 4,-2.2 1,-0.2 5,-0.2 0.895 113.5 47.0 -65.5 -40.7 16.2 25.7 22.1 160 185 A S H > S+ 0 0 18 -123,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.924 113.3 47.3 -67.7 -45.6 12.4 25.3 21.9 161 186 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.907 112.7 49.0 -64.0 -42.0 12.3 25.2 18.1 162 187 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.949 113.2 46.5 -63.0 -44.9 15.2 22.7 17.9 163 188 A A H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 113.3 50.7 -63.0 -39.8 13.6 20.4 20.5 164 189 A T H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.921 110.9 46.7 -66.3 -44.2 10.2 20.7 18.7 165 190 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.883 111.3 52.5 -66.1 -36.5 11.7 19.9 15.2 166 191 A R H X>S+ 0 0 77 -4,-2.4 4,-2.4 -5,-0.3 5,-0.6 0.955 109.6 49.6 -60.0 -46.5 13.5 17.0 16.8 167 192 A K H X5S+ 0 0 42 -4,-2.5 4,-1.3 1,-0.2 6,-0.6 0.889 113.8 45.5 -57.2 -43.3 10.2 15.7 18.3 168 193 A L H <5S+ 0 0 0 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.894 119.1 39.7 -71.7 -37.8 8.4 16.0 15.0 169 194 A L H <5S+ 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.784 134.8 7.0 -83.9 -27.3 11.1 14.4 12.9 170 195 A T H <5S+ 0 0 47 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.573 98.7 85.4-134.4 -13.9 12.3 11.5 15.2 171 196 A S S < - 0 0 46 -2,-0.3 4,-2.9 -119,-0.2 5,-0.2 -0.159 36.9-103.5 -64.5 166.2 4.0 8.0 12.2 176 201 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 123.3 48.7 -60.4 -45.6 6.9 6.7 10.3 177 202 A R H > S+ 0 0 196 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 112.0 49.7 -62.1 -39.7 5.4 7.9 6.9 178 203 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 109.2 50.1 -65.4 -42.9 4.6 11.3 8.4 179 204 A Q H X S+ 0 0 29 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.911 112.0 49.6 -59.4 -43.9 8.1 11.8 9.8 180 205 A R H X S+ 0 0 178 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.882 110.5 50.2 -64.1 -38.6 9.5 10.8 6.3 181 206 A Q H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.926 108.7 50.4 -67.0 -43.5 7.1 13.3 4.6 182 207 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.931 112.9 47.8 -62.5 -43.9 8.0 16.2 6.8 183 208 A L H X S+ 0 0 60 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.923 109.5 52.1 -58.8 -46.6 11.7 15.6 6.2 184 209 A Q H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 105.1 55.8 -62.8 -37.5 11.2 15.3 2.4 185 210 A W H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 110.4 46.0 -58.8 -42.0 9.4 18.7 2.4 186 211 A M H >< S+ 0 0 1 -4,-1.8 22,-2.0 1,-0.2 3,-1.3 0.893 110.0 52.8 -66.3 -40.9 12.4 20.2 4.0 187 212 A V H 3< S+ 0 0 36 -4,-2.5 -1,-0.2 20,-0.3 -2,-0.2 0.869 108.3 54.2 -58.1 -37.2 14.8 18.4 1.6 188 213 A D T 3< S+ 0 0 53 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.360 72.1 142.0 -84.4 8.6 12.7 19.9 -1.3 189 214 A D < - 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