==== 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 31-JUL-12 4GD6 . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR F.VAN DEN AKKER,K.WEI . 266 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.1 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 15.0 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 . 94 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 0 1 0 1 2 2 1 0 1 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 70 0, 0.0 254,-0.0 0, 0.0 253,-0.0 0.000 360.0 360.0 360.0 146.8 61.5 58.6 9.5 2 27 A P - 0 0 48 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.177 360.0 -62.7 -78.3 179.6 61.6 59.0 13.3 3 28 A Q > - 0 0 97 1,-0.1 4,-2.5 258,-0.1 5,-0.2 -0.285 56.2-107.1 -57.4 148.3 60.0 56.7 15.9 4 29 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.889 119.0 46.9 -46.4 -52.5 56.1 56.7 15.7 5 30 A L H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.877 112.1 50.5 -61.6 -39.3 55.6 58.8 18.9 6 31 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 111.4 48.5 -66.8 -37.5 58.3 61.3 17.8 7 32 A Q H X S+ 0 0 24 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 108.7 53.8 -65.9 -41.3 56.6 61.7 14.4 8 33 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.930 109.4 48.5 -58.9 -45.9 53.2 62.1 16.0 9 34 A K H X S+ 0 0 92 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 109.9 51.7 -58.5 -46.1 54.7 65.0 18.1 10 35 A L H X S+ 0 0 79 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.880 106.5 54.9 -56.9 -40.9 56.2 66.5 15.0 11 36 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.917 107.7 48.4 -62.4 -42.2 52.8 66.4 13.3 12 37 A E H X>S+ 0 0 30 -4,-2.0 4,-1.9 1,-0.2 5,-0.5 0.927 112.9 49.5 -63.0 -43.0 51.2 68.3 16.2 13 38 A S H <5S+ 0 0 86 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.912 115.7 41.3 -59.9 -46.0 54.0 70.9 16.0 14 39 A Q H <5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 123.4 38.3 -71.1 -39.3 53.7 71.4 12.3 15 40 A L H <5S- 0 0 4 -4,-2.6 228,-0.4 -5,-0.2 -2,-0.2 0.651 91.5-138.0 -86.0 -18.6 49.9 71.4 12.2 16 41 A S T <5S+ 0 0 97 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.745 70.8 110.4 56.6 27.9 49.2 73.3 15.4 17 42 A G S -A 232 0A 33 5,-2.7 4,-2.0 -2,-0.4 207,-0.3 -0.485 27.6-148.1 -61.9 127.9 47.3 44.1 17.2 26 51 A L T 4 S+ 0 0 21 205,-2.6 -1,-0.2 -2,-0.2 206,-0.1 0.920 91.7 47.5 -69.0 -41.8 44.1 43.0 15.4 27 52 A A T 4 S+ 0 0 71 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.918 130.4 15.9 -66.9 -43.0 44.2 39.4 16.6 28 53 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.707 91.4-121.9-108.7 -22.8 44.8 40.1 20.3 29 54 A G < + 0 0 18 -4,-2.0 2,-0.1 1,-0.3 -3,-0.1 0.484 49.4 163.4 87.5 5.7 44.1 43.7 21.0 30 55 A R - 0 0 126 -6,-0.1 -5,-2.7 1,-0.1 2,-0.5 -0.389 35.7-134.1 -58.0 124.7 47.6 44.4 22.3 31 56 A T E +B 24 0A 75 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.746 31.7 170.0 -85.3 124.1 48.1 48.2 22.3 32 57 A L E + 0 0 32 -9,-3.1 2,-0.4 -2,-0.5 -8,-0.2 0.838 66.5 16.8 -99.9 -48.6 51.5 49.2 20.8 33 58 A T E +B 23 0A 10 -10,-1.1 -10,-2.3 -29,-0.0 -1,-0.4 -0.993 64.7 177.6-127.6 137.5 51.4 52.9 20.4 34 59 A A E +B 22 0A 51 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.980 4.9 168.8-142.8 126.7 48.9 55.2 22.2 35 60 A W E S-B 21 0A 55 -14,-2.6 -14,-3.0 -2,-0.4 4,-0.1 -0.959 80.0 -17.5-141.9 122.7 48.8 59.0 21.9 36 61 A R S > S+ 0 0 72 -2,-0.4 3,-1.6 -16,-0.2 123,-0.1 0.849 86.0 159.9 48.7 40.0 45.8 61.1 23.2 37 62 A A T 3 + 0 0 13 1,-0.3 122,-2.6 121,-0.1 123,-0.5 0.695 67.3 43.8 -69.9 -20.7 44.1 57.7 23.1 38 63 A D T 3 S+ 0 0 138 120,-0.2 -1,-0.3 119,-0.1 2,-0.3 0.239 92.6 102.8-108.3 11.2 41.4 58.7 25.6 39 64 A E S < S- 0 0 63 -3,-1.6 2,-0.3 -4,-0.1 120,-0.1 -0.676 75.9-106.5 -93.5 151.5 40.7 62.2 24.1 40 65 A R + 0 0 87 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.563 38.2 172.5 -83.4 137.9 37.7 62.9 21.9 41 66 A F E -E 156 0B 0 115,-2.6 115,-2.5 -2,-0.3 2,-0.2 -0.987 40.7 -99.0-136.8 144.9 37.9 63.4 18.1 42 67 A P E -E 155 0B 6 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.460 25.9-148.9 -61.0 134.2 35.1 63.8 15.5 43 68 A M > + 0 0 4 111,-2.1 3,-1.9 -2,-0.2 112,-0.1 0.824 28.7 173.2 -69.2 -36.3 34.6 60.4 13.8 44 69 A M G > S- 0 0 0 110,-0.5 3,-1.8 100,-0.5 4,-0.2 -0.264 71.1 -13.7 51.8-140.5 33.6 62.0 10.4 45 70 A S G > S+ 0 0 1 1,-0.3 3,-1.8 167,-0.3 4,-0.3 0.624 122.6 82.0 -66.8 -15.0 33.2 59.3 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.7 0.755 76.3 73.0 -64.0 -19.4 34.9 56.7 9.9 47 72 A F H <> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.2 3,-0.3 0.770 79.4 77.3 -63.1 -21.1 31.6 56.1 11.7 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.777 86.9 56.7 -64.5 -28.2 30.3 54.3 8.6 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.5 -4,-0.3 -1,-0.3 0.931 110.1 44.6 -67.6 -42.9 32.3 51.2 9.5 50 75 A V H X S+ 0 0 3 -4,-0.7 4,-2.1 -3,-0.3 -2,-0.2 0.917 110.6 56.1 -63.2 -44.9 30.4 51.0 12.8 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.924 109.0 44.8 -49.9 -53.3 27.1 51.8 11.0 52 77 A a H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.786 107.3 59.7 -71.1 -24.4 27.6 48.8 8.7 53 78 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.924 107.1 47.4 -59.6 -44.1 28.6 46.7 11.7 54 79 A A H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.888 110.5 51.6 -66.7 -39.9 25.2 47.5 13.1 55 80 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.937 109.6 49.7 -58.8 -47.2 23.5 46.6 9.8 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.857 105.6 56.9 -62.6 -34.5 25.3 43.3 9.7 57 82 A A H X S+ 0 0 29 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.908 107.8 48.2 -62.7 -41.4 24.2 42.6 13.3 58 83 A R H X>S+ 0 0 79 -4,-1.8 5,-2.6 2,-0.2 6,-1.0 0.903 110.6 51.1 -62.7 -41.9 20.6 43.0 12.1 59 84 A V H ><5S+ 0 0 35 -4,-2.2 3,-1.4 4,-0.3 -2,-0.2 0.941 109.4 50.6 -58.9 -46.4 21.3 40.7 9.2 60 85 A D H 3<5S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.2 51.6 -60.7 -35.6 22.7 38.1 11.5 61 86 A A H 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.518 117.4-112.6 -79.6 -8.4 19.6 38.3 13.7 62 87 A G T <<5S+ 0 0 64 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.597 91.9 109.8 84.9 12.2 17.2 37.8 10.8 63 88 A D S - 0 0 116 -2,-0.3 3,-1.1 1,-0.1 29,-0.4 -0.999 16.6-142.8-131.1 138.0 18.8 41.2 4.5 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-2.7 1,-0.2 30,-0.5 0.769 106.2 56.7 -63.7 -23.6 21.8 42.5 2.5 67 92 A E T 3 S+ 0 0 136 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.642 77.0 118.0 -76.9 -19.2 19.6 41.7 -0.5 68 93 A R < - 0 0 99 -3,-1.1 26,-1.7 25,-0.1 2,-0.5 -0.314 62.8-133.9 -63.5 125.7 16.7 43.9 0.5 69 94 A K E -G 93 0C 93 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.664 16.2-159.1 -83.3 125.3 16.1 46.7 -2.0 70 95 A I E -G 92 0C 22 22,-3.3 22,-2.0 -2,-0.5 2,-0.4 -0.894 2.8-159.0-103.0 125.8 15.5 50.2 -0.6 71 96 A H + 0 0 117 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.876 18.5 172.0-104.0 139.5 13.8 52.7 -2.8 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.837 24.8-114.7-141.4 174.3 14.2 56.4 -2.0 73 98 A R > - 0 0 164 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.772 27.3-113.1-117.6 159.2 13.5 59.9 -3.4 74 99 A Q G > S+ 0 0 136 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.850 116.6 62.3 -58.1 -34.3 15.6 62.7 -4.7 75 100 A Q G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.657 95.5 62.8 -65.9 -16.0 14.5 64.8 -1.6 76 101 A D G < S+ 0 0 76 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.617 82.7 103.6 -80.0 -17.4 16.2 62.2 0.6 77 102 A L < - 0 0 42 -3,-1.6 2,-0.2 -4,-0.4 4,-0.1 -0.458 50.8-170.1 -76.8 138.8 19.6 62.9 -0.9 78 103 A V - 0 0 49 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.640 46.1 -48.6-113.4 176.4 22.2 65.0 1.0 79 104 A D S S+ 0 0 120 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.239 117.1 18.4 -52.0 122.9 25.5 66.5 -0.1 80 105 A Y + 0 0 89 27,-0.1 27,-2.8 1,-0.1 28,-0.5 0.974 61.7 157.3 77.6 87.8 27.8 64.0 -2.0 81 106 A S > + 0 0 7 25,-0.2 4,-2.3 26,-0.2 5,-0.2 -0.524 2.8 161.7-133.5 59.9 25.8 61.0 -3.3 82 107 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.786 82.5 22.8 -62.8 -29.5 28.0 59.6 -6.2 83 108 A V T >4 S+ 0 0 36 2,-0.1 3,-1.8 -3,-0.1 4,-0.2 0.841 121.8 52.8 -98.0 -51.9 26.4 56.2 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 7,-0.1 0.818 100.0 62.8 -62.4 -29.8 23.0 56.8 -4.6 85 110 A E G >< S+ 0 0 105 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.741 98.6 59.1 -65.3 -19.0 22.1 59.7 -7.0 86 111 A K G < S+ 0 0 145 -3,-1.8 -1,-0.3 -5,-0.2 3,-0.2 0.498 101.0 55.7 -86.8 -3.9 22.3 57.1 -9.9 87 112 A H G <> + 0 0 45 -3,-1.6 4,-2.0 -4,-0.2 -15,-0.3 -0.119 58.7 120.6-126.8 35.4 19.6 54.9 -8.5 88 113 A L T <4 S+ 0 0 59 -3,-0.5 -16,-0.2 1,-0.2 -1,-0.1 0.858 86.3 40.4 -65.6 -32.6 16.5 57.0 -8.0 89 114 A A T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.868 128.0 26.5 -82.1 -39.1 14.5 54.8 -10.4 90 115 A D T 4 S- 0 0 74 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.593 93.5-141.0-111.1 -12.8 15.7 51.4 -9.3 91 116 A G < - 0 0 1 -4,-2.0 2,-0.3 -7,-0.1 -20,-0.2 -0.107 15.8 -99.2 79.5 178.1 16.8 51.6 -5.7 92 117 A M E -G 70 0C 1 -22,-2.0 -22,-3.3 -4,-0.1 2,-0.1 -0.986 26.6-114.7-138.0 146.1 19.8 50.0 -4.0 93 118 A T E > -G 69 0C 30 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.395 32.3-111.1 -73.5 160.1 20.1 46.9 -1.9 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.3 -29,-0.4 -28,-0.2 0.916 122.0 49.8 -55.8 -44.0 21.2 47.3 1.8 95 120 A G H > S+ 0 0 11 -29,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 109.4 50.8 -63.8 -41.0 24.5 45.6 0.9 96 121 A E H > S+ 0 0 90 -30,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.863 108.0 54.0 -63.1 -35.8 25.0 48.0 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.924 108.4 48.0 -66.0 -42.7 24.3 50.9 0.4 98 123 A a H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.919 111.8 50.4 -63.9 -41.5 27.0 49.7 2.8 99 124 A A H X>S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 5,-0.6 0.928 112.7 46.8 -60.8 -43.9 29.4 49.3 -0.1 100 125 A A H X5S+ 0 0 3 -4,-2.5 6,-1.9 3,-0.2 4,-1.3 0.930 114.1 47.9 -64.1 -44.8 28.6 52.8 -1.4 101 126 A A H X5S+ 0 0 0 -4,-2.9 4,-0.7 4,-0.2 -2,-0.2 0.950 123.3 30.8 -58.9 -50.4 28.9 54.3 2.1 102 127 A I H <5S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.919 128.5 34.2 -80.1 -47.1 32.3 52.6 2.9 103 128 A T H <5S+ 0 0 10 -4,-2.8 87,-2.5 -5,-0.3 88,-0.4 0.704 133.9 25.3 -85.8 -22.3 34.0 52.4 -0.4 104 129 A M H < - 0 0 0 -6,-1.9 4,-1.7 1,-0.2 -25,-0.2 -0.628 16.3-162.6 -74.6 116.9 28.3 58.2 -0.2 107 132 A N H > S+ 0 0 10 -27,-2.8 4,-2.2 -2,-0.5 34,-0.2 0.846 86.8 50.4 -75.8 -35.9 26.5 60.3 2.3 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.6 -30,-0.3 5,-0.2 0.904 108.7 53.4 -69.3 -39.4 23.0 59.6 1.2 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.934 109.7 50.0 -55.1 -45.0 23.8 55.8 1.4 110 135 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.917 110.8 47.7 -62.1 -43.9 25.0 56.4 5.0 111 136 A N H X S+ 0 0 19 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 109.7 52.6 -66.6 -39.3 21.9 58.2 6.0 112 137 A L H X S+ 0 0 30 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.933 113.5 44.4 -59.8 -44.5 19.6 55.6 4.5 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.886 108.4 57.7 -65.3 -39.3 21.4 52.9 6.5 114 139 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.8 0.898 102.6 55.1 -59.8 -39.3 21.4 55.1 9.6 115 140 A A H ><5S+ 0 0 59 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.910 102.3 57.3 -59.1 -41.7 17.6 55.2 9.4 116 141 A T H 3<5S+ 0 0 28 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.699 107.2 47.3 -66.1 -22.1 17.4 51.4 9.4 117 142 A V T <<5S- 0 0 19 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.324 130.3 -87.8-102.5 6.7 19.3 51.1 12.7 118 143 A G T <>5 - 0 0 54 -3,-1.6 4,-1.6 -4,-0.3 3,-0.3 0.689 66.1 -90.1 97.0 22.0 17.3 53.7 14.5 119 144 A G H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.893 142.2 52.9 -52.4 -42.1 22.1 58.3 15.6 121 146 A A H > S+ 0 0 77 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.910 109.7 49.0 -61.1 -42.2 20.4 57.2 18.9 122 147 A G H X S+ 0 0 20 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.893 111.3 47.9 -63.2 -43.3 20.0 53.6 17.6 123 148 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.891 111.1 51.8 -67.9 -36.5 23.7 53.4 16.5 124 149 A T H X S+ 0 0 23 -4,-2.5 4,-2.2 13,-0.3 -2,-0.2 0.925 108.7 51.0 -62.7 -43.5 24.7 54.8 19.9 125 150 A A H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.889 108.2 52.9 -57.4 -42.4 22.6 52.1 21.6 126 151 A F H X S+ 0 0 25 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.918 107.2 52.0 -59.8 -45.2 24.3 49.5 19.4 127 152 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.925 109.0 49.3 -58.4 -44.3 27.7 50.8 20.6 128 153 A R H ><5S+ 0 0 86 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.892 107.1 57.3 -61.9 -37.0 26.6 50.5 24.2 129 154 A Q H 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 106.9 47.0 -66.8 -24.9 25.4 46.9 23.5 130 155 A I T <<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.294 127.0-100.0 -98.1 7.9 28.9 45.9 22.3 131 156 A G T < 5S+ 0 0 39 -3,-1.4 2,-0.8 1,-0.3 -3,-0.2 0.607 78.7 135.6 87.8 14.3 30.5 47.6 25.3 132 157 A D < + 0 0 6 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.854 22.0 172.3 -92.6 110.9 31.7 50.8 23.8 133 158 A N + 0 0 117 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.285 69.3 47.5-102.6 10.5 30.6 53.4 26.5 134 159 A V S S+ 0 0 47 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.775 82.8 86.2-118.0 -51.5 32.4 56.4 24.9 135 160 A T - 0 0 0 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.303 55.5-178.4 -60.6 140.6 31.7 56.7 21.2 136 161 A R B -F 155 0B 79 19,-2.5 19,-0.5 16,-0.1 2,-0.5 -0.993 22.3-158.7-145.4 135.7 28.5 58.6 20.3 137 162 A L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.4 3,-0.1 -0.969 21.8 159.1-110.9 134.5 26.6 59.5 17.2 138 163 A D + 0 0 57 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.582 56.3 39.9-123.5 -26.7 24.2 62.5 17.5 139 164 A R - 0 0 31 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.736 68.9-118.0-128.7 173.4 23.7 63.8 13.9 140 165 A W > - 0 0 99 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.468 56.9 -38.6-100.2 172.9 23.2 62.7 10.3 141 166 A E T 4 S+ 0 0 1 1,-0.3 -1,-0.1 -34,-0.2 -62,-0.0 -0.601 120.2 8.0 -71.3 139.9 25.3 63.4 7.2 142 167 A T T >4 S+ 0 0 44 -2,-0.2 3,-1.9 -64,-0.1 -1,-0.3 -0.978 120.3 61.6-103.7 7.4 26.7 65.9 6.6 143 168 A E G >4 S+ 0 0 111 -3,-0.3 3,-1.9 1,-0.3 -2,-0.2 0.775 91.7 72.8 -60.0 -25.3 26.2 67.9 9.9 144 169 A L G 3< S+ 0 0 1 -4,-1.9 -100,-0.5 1,-0.3 3,-0.3 0.607 89.2 61.3 -69.3 -9.5 28.1 65.2 11.8 145 170 A N G < S+ 0 0 20 -3,-1.9 69,-2.3 -5,-0.2 -1,-0.3 0.326 71.1 105.7 -92.1 5.0 31.3 66.5 10.2 146 171 A E < - 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0 0 5 -2,-0.2 4,-3.0 -117,-0.2 5,-0.3 -0.935 27.7-116.3-120.9 154.4 38.4 58.3 21.2 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.928 117.7 48.4 -55.1 -42.2 41.2 56.5 19.4 159 184 A A H > S+ 0 0 27 -122,-2.6 4,-2.2 2,-0.2 5,-0.2 0.905 113.7 47.1 -63.8 -39.5 41.2 53.7 22.1 160 185 A S H > S+ 0 0 17 -123,-0.5 4,-2.6 2,-0.2 5,-0.2 0.939 113.1 47.3 -68.3 -45.9 37.4 53.3 21.8 161 186 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.924 112.8 49.1 -63.0 -44.7 37.3 53.2 18.0 162 187 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.929 113.4 46.1 -59.5 -47.1 40.2 50.7 17.9 163 188 A A H X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.906 113.8 49.6 -61.8 -40.3 38.5 48.4 20.4 164 189 A T H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 110.3 49.1 -68.7 -42.9 35.2 48.7 18.6 165 190 A L H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.924 111.4 50.2 -61.2 -43.6 36.6 47.9 15.2 166 191 A R H X>S+ 0 0 72 -4,-2.4 4,-2.3 -5,-0.2 5,-0.6 0.907 109.4 51.9 -60.5 -43.1 38.4 44.9 16.7 167 192 A K H X5S+ 0 0 43 -4,-2.3 4,-1.4 1,-0.2 6,-0.6 0.924 113.5 43.7 -56.7 -45.2 35.1 43.8 18.3 168 193 A L H <5S+ 0 0 2 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.875 120.4 39.7 -70.7 -37.5 33.2 44.0 15.0 169 194 A L H <5S+ 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.766 134.7 7.4 -83.7 -27.7 35.9 42.4 12.9 170 195 A T H <5S+ 0 0 48 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.586 97.9 86.6-134.8 -15.1 37.1 39.6 15.2 171 196 A S S < - 0 0 45 -2,-0.3 4,-2.9 -119,-0.2 5,-0.2 -0.211 36.6-104.5 -62.4 162.0 28.8 35.9 12.2 176 201 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 123.8 48.5 -53.8 -48.1 31.8 34.7 10.3 177 202 A R H > S+ 0 0 189 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 111.7 49.2 -60.9 -42.5 30.3 35.8 7.0 178 203 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 109.6 50.8 -65.7 -42.3 29.4 39.3 8.4 179 204 A Q H X S+ 0 0 32 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.914 112.1 48.8 -58.3 -42.8 33.0 39.7 9.8 180 205 A R H X S+ 0 0 180 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.872 110.7 50.4 -65.4 -38.5 34.3 38.8 6.4 181 206 A Q H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 108.7 50.6 -65.1 -44.3 31.9 41.3 4.6 182 207 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.923 112.7 47.4 -62.3 -43.2 32.9 44.2 6.9 183 208 A L H X S+ 0 0 57 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.931 110.0 52.3 -61.0 -47.0 36.5 43.6 6.2 184 209 A Q H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.891 104.8 55.9 -61.9 -38.3 36.0 43.3 2.4 185 210 A W H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.928 110.2 46.0 -58.7 -41.0 34.2 46.6 2.4 186 211 A M H >< S+ 0 0 1 -4,-1.6 22,-2.0 1,-0.2 3,-1.1 0.881 110.6 52.3 -70.3 -36.5 37.2 48.2 4.0 187 212 A V H 3< S+ 0 0 34 -4,-2.4 -1,-0.2 20,-0.3 -2,-0.2 0.846 104.9 60.2 -59.6 -33.9 39.6 46.4 1.6 188 213 A D T 3< + 0 0 42 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.280 66.7 148.8 -88.8 10.9 37.5 47.8 -1.3 189 214 A D < - 0 0 2 -3,-1.1 -86,-0.2 19,-0.2 -85,-0.1 -0.187 32.8-159.6 -42.8 124.6 37.9 51.5 -0.7 190 215 A R S S+ 0 0 145 -87,-2.5 -1,-0.2 3,-0.1 -86,-0.1 0.593 77.8 33.7 -89.0 -10.4 37.7 53.1 -4.2 191 216 A V S > S+ 0 0 40 -88,-0.4 4,-0.9 3,-0.1 -87,-0.1 0.821 126.2 18.0-110.3 -72.9 39.5 56.4 -3.3 192 217 A A H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.930 114.8 65.3 -74.4 -45.1 42.2 56.3 -0.7 193 218 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 102.5 45.3 -43.9 -59.6 43.0 52.6 -0.7 194 219 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.877 115.4 47.6 -57.4 -39.5 44.3 52.4 -4.2 195 220 A L H X S+ 0 0 84 -4,-0.9 4,-1.0 -3,-0.3 -2,-0.2 0.935 110.4 52.3 -66.2 -44.9 46.5 55.5 -3.8 196 221 A I H >X S+ 0 0 38 -4,-3.1 3,-1.1 1,-0.2 4,-0.9 0.933 107.6 52.7 -55.7 -46.1 47.8 54.3 -0.5 197 222 A R H >< S+ 0 0 102 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.911 101.8 59.8 -55.6 -42.1 48.8 51.0 -2.2 198 223 A S H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.767 114.3 35.7 -60.4 -25.4 50.7 52.9 -4.9 199 224 A V H << S+ 0 0 110 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.382 96.8 97.6-110.7 0.1 53.0 54.4 -2.2 200 225 A L S << S- 0 0 30 -3,-1.0 3,-0.1 -4,-0.9 6,-0.0 -0.668 82.6-106.5 -83.2 144.8 53.2 51.5 0.2 201 226 A P > - 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