==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-00 1E25 . COMPND 2 MOLECULE: EXTENDED-SPECTRUM BETA-LACTAMASE PER-1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.TRANIER,A.T.BOUTHORS,L.MAVEYRAUD,V.GUILLET,W.SOUGAKOFF, . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 73.4 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 . 46 16.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 0 0 4 2 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 0 1 0 2 0 0 1 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 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 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 74 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 121.0 62.8 21.5 18.8 2 27 A P H > + 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.841 360.0 57.9 -64.8 -32.0 59.2 22.1 20.0 3 28 A L H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.946 107.7 45.3 -66.3 -44.1 60.3 24.8 22.5 4 29 A L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 110.9 54.8 -63.1 -42.7 62.0 27.0 19.8 5 30 A K H X S+ 0 0 92 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.910 108.5 48.3 -57.2 -42.2 59.0 26.6 17.6 6 31 A E H X S+ 0 0 142 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.898 110.4 51.3 -66.7 -38.8 56.7 27.8 20.3 7 32 A Q H < S+ 0 0 78 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.868 111.7 46.9 -65.3 -38.9 58.9 30.9 21.0 8 33 A I H >X S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-1.5 0.920 108.3 55.1 -70.9 -41.4 59.0 31.8 17.3 9 34 A E H 3X S+ 0 0 71 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.843 99.4 62.2 -60.8 -29.7 55.2 31.4 17.0 10 35 A S H 3< S+ 0 0 86 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.645 104.2 50.1 -69.1 -16.3 54.8 33.8 19.9 11 36 A I H <4 S+ 0 0 12 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.844 115.2 38.9 -86.8 -40.4 56.4 36.5 17.7 12 37 A V H >< S+ 0 0 25 -4,-1.5 3,-1.7 2,-0.1 5,-0.3 0.740 90.8 94.9 -86.7 -22.7 54.3 36.0 14.6 13 38 A I T 3< S+ 0 0 121 -4,-2.2 3,-0.1 1,-0.3 0, 0.0 -0.492 92.3 24.3 -68.2 135.3 50.9 35.5 16.1 14 39 A G T 3 S+ 0 0 76 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.359 95.1 114.8 92.5 -8.6 49.0 38.8 16.3 15 40 A K S < S- 0 0 66 -3,-1.7 2,-2.5 2,-0.2 -1,-0.3 -0.839 72.4-125.8 -97.9 133.4 51.0 40.3 13.4 16 41 A K S S+ 0 0 128 -2,-0.5 234,-3.3 -3,-0.1 235,-0.3 -0.398 82.2 74.9 -77.7 70.3 49.1 41.2 10.2 17 42 A A S S- 0 0 22 -2,-2.5 2,-0.6 -5,-0.3 231,-0.2 -0.958 81.2-111.6-164.8 165.9 51.4 39.2 7.9 18 43 A T E -A 247 0A 54 229,-2.6 229,-3.3 -2,-0.3 2,-0.4 -0.962 36.9-161.1-112.8 122.2 52.2 35.6 7.0 19 44 A V E -A 246 0A 3 -2,-0.6 2,-0.4 227,-0.2 227,-0.2 -0.882 11.4-167.1-112.1 132.7 55.6 34.6 8.2 20 45 A G E -A 245 0A 0 225,-2.8 225,-2.4 -2,-0.4 2,-0.3 -0.929 12.9-176.5-112.4 140.0 57.8 31.7 7.0 21 46 A V E -AB 244 34A 0 13,-1.6 13,-2.7 -2,-0.4 2,-0.4 -0.991 15.0-174.5-137.7 143.6 60.9 30.6 9.0 22 47 A A E -AB 243 33A 3 221,-2.0 221,-2.2 -2,-0.3 2,-0.4 -0.992 9.0-179.9-134.8 128.8 63.7 28.1 8.6 23 48 A V E +AB 242 32A 0 9,-2.2 9,-3.1 -2,-0.4 2,-0.4 -0.996 3.7 176.4-130.8 126.4 66.2 27.5 11.4 24 49 A W E -A 241 0A 33 217,-2.6 217,-2.4 -2,-0.4 -2,-0.0 -0.878 10.1-166.7-134.6 102.7 69.1 25.0 11.1 25 50 A G > - 0 0 1 -2,-0.4 3,-1.5 5,-0.2 215,-0.2 -0.394 36.7-102.9 -82.8 165.8 71.6 24.9 13.9 26 51 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 214,-0.1 0.768 119.7 43.1 -62.6 -24.6 74.9 23.0 13.7 27 52 A D T 3 S+ 0 0 101 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 0.310 91.0 108.0-104.4 13.3 73.8 20.0 15.7 28 53 A D < - 0 0 50 -3,-1.5 4,-0.0 1,-0.1 -4,-0.0 -0.750 52.8-160.4 -93.9 134.8 70.4 19.6 14.1 29 54 A L S S+ 0 0 161 -2,-0.4 -1,-0.1 1,-0.1 -5,-0.0 0.862 83.8 22.4 -74.9 -39.4 69.6 16.8 11.7 30 55 A E S S- 0 0 148 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.896 88.4-109.8-126.0 155.0 66.7 18.6 10.1 31 56 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.541 29.7-116.1 -85.3 155.6 65.8 22.3 10.0 32 57 A L E -B 23 0A 28 -9,-3.1 -9,-2.2 -2,-0.2 2,-0.4 -0.801 36.3-164.0 -86.8 125.6 62.9 23.7 12.0 33 59 A L E -B 22 0A 39 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.947 13.4-162.7-117.3 132.9 60.3 25.0 9.5 34 60 A I E S+B 21 0A 9 -13,-2.7 -13,-1.6 -2,-0.4 127,-0.1 -0.965 82.7 3.7-112.5 125.3 57.5 27.4 10.3 35 61 A N S > S+ 0 0 70 -2,-0.5 3,-1.1 -15,-0.2 126,-0.4 0.965 75.8 177.2 64.9 57.7 54.7 27.5 7.6 36 62 A P T 3 S+ 0 0 47 0, 0.0 126,-0.3 0, 0.0 125,-0.1 0.679 70.4 50.8 -65.8 -19.1 56.2 24.7 5.4 37 63 A F T 3 S+ 0 0 194 123,-0.1 2,-0.2 124,-0.1 -2,-0.1 0.467 86.5 99.5-101.1 0.4 53.5 24.6 2.8 38 64 A E < - 0 0 67 -3,-1.1 2,-0.6 1,-0.0 123,-0.3 -0.561 69.3-128.9 -88.2 148.5 53.2 28.3 1.9 39 65 A K - 0 0 123 -2,-0.2 121,-0.2 121,-0.1 -2,-0.1 -0.881 23.9-159.0 -98.1 122.7 54.8 29.8 -1.2 40 66 A F E -F 159 0B 0 119,-2.7 119,-1.9 -2,-0.6 2,-0.2 -0.887 18.2-123.2-107.9 128.6 56.9 32.9 -0.4 41 67 A P E -F 158 0B 2 0, 0.0 117,-0.2 0, 0.0 114,-0.1 -0.464 20.3-156.1 -65.5 134.1 57.9 35.6 -3.0 42 68 A M > + 0 0 0 115,-2.6 3,-2.1 112,-0.5 116,-0.1 0.801 16.8 177.6 -84.6 -27.9 61.6 35.9 -3.0 43 69 A Q G > S- 0 0 23 114,-0.4 3,-1.4 111,-0.4 -1,-0.2 -0.328 77.0 -10.0 52.2-139.8 62.2 39.4 -4.4 44 70 A S G > S+ 0 0 12 1,-0.3 3,-1.8 171,-0.2 4,-0.3 0.499 114.7 92.1 -67.4 -3.2 66.0 40.0 -4.4 45 71 A V G X> S+ 0 0 1 -3,-2.1 3,-2.2 1,-0.3 4,-0.5 0.883 75.9 66.6 -58.5 -33.5 66.8 36.9 -2.4 46 72 A F H <> S+ 0 0 1 -3,-1.4 4,-2.3 1,-0.3 -1,-0.3 0.602 78.2 79.9 -68.1 -6.3 67.2 35.0 -5.8 47 73 A K H <> S+ 0 0 1 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.725 88.6 59.6 -68.7 -18.5 70.3 37.1 -6.6 48 74 A L H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.3 -1,-0.2 0.964 106.1 43.6 -70.4 -52.7 72.0 34.6 -4.2 49 75 A H H X S+ 0 0 4 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.897 113.4 53.1 -58.6 -41.3 71.1 31.6 -6.4 50 76 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.913 106.0 52.2 -62.0 -43.2 72.0 33.6 -9.5 51 77 A A H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.896 108.6 52.1 -61.8 -38.6 75.5 34.4 -8.1 52 78 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 109.6 48.2 -64.5 -42.9 76.1 30.7 -7.4 53 79 A L H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 113.6 47.3 -62.2 -45.6 75.2 29.8 -11.0 54 80 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.930 113.9 46.2 -64.4 -42.8 77.5 32.5 -12.4 55 81 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.849 108.4 57.5 -68.0 -31.0 80.4 31.5 -10.1 56 82 A H H X S+ 0 0 50 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.889 107.1 47.9 -64.0 -37.8 79.8 27.9 -10.9 57 83 A Q H <>S+ 0 0 38 -4,-1.8 5,-2.0 2,-0.2 6,-1.3 0.763 110.2 51.7 -74.5 -24.8 80.3 28.8 -14.6 58 84 A V H ><5S+ 0 0 25 -4,-1.4 3,-2.0 4,-0.2 -2,-0.2 0.916 107.6 52.8 -72.9 -44.0 83.5 30.7 -13.8 59 85 A D H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.844 109.0 50.2 -58.2 -35.5 84.7 27.6 -11.9 60 86 A Q T 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.416 116.1-116.8 -83.2 0.9 84.0 25.6 -15.1 61 87 A G T < 5S+ 0 0 55 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.562 85.6 116.6 75.9 6.3 86.0 28.0 -17.1 62 88 A K S - 0 0 98 -2,-0.3 3,-1.9 1,-0.1 33,-0.4 -0.964 17.5-130.9-122.6 140.5 85.8 34.8 -16.6 65 91 A L T 3 S+ 0 0 40 -2,-0.4 33,-2.6 1,-0.3 34,-0.3 0.748 112.1 46.7 -60.4 -23.1 85.5 37.1 -13.6 66 92 A N T 3 S+ 0 0 129 31,-0.2 -1,-0.3 30,-0.2 2,-0.1 0.378 78.8 121.2 -99.8 1.4 87.1 39.9 -15.8 67 93 A Q < - 0 0 65 -3,-1.9 30,-2.5 29,-0.1 2,-0.3 -0.477 57.5-145.7 -58.9 135.4 84.9 39.2 -18.8 68 94 A T E -H 96 0C 77 28,-0.3 2,-0.4 29,-0.1 -2,-0.1 -0.848 12.2-146.2-117.7 153.9 83.2 42.6 -19.3 69 95 A V E -H 95 0C 22 26,-2.7 26,-2.2 -2,-0.3 2,-0.5 -0.913 18.3-127.4-114.0 136.2 79.8 43.7 -20.4 70 96 A I E -H 94 0C 109 -2,-0.4 2,-0.5 24,-0.2 24,-0.3 -0.710 26.2-156.8 -81.2 126.8 79.0 46.9 -22.4 71 97 A V E -H 93 0C 3 22,-3.9 22,-1.7 -2,-0.5 2,-0.7 -0.930 7.2-161.9-111.1 120.7 76.3 48.9 -20.6 72 98 A N E >> -H 92 0C 53 -2,-0.5 3,-1.6 20,-0.2 4,-1.1 -0.900 12.1-149.4-101.2 112.1 74.1 51.3 -22.6 73 99 A R T 34 S+ 0 0 71 18,-2.7 -1,-0.1 -2,-0.7 19,-0.1 0.759 95.7 51.0 -51.3 -28.7 72.5 53.7 -20.1 74 100 A A T 34 S+ 0 0 61 17,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.690 109.9 48.3 -84.1 -20.7 69.5 54.1 -22.4 75 101 A K T <4 S+ 0 0 165 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.555 91.1 88.7 -98.4 -11.0 68.8 50.4 -22.9 76 102 A V S < S- 0 0 22 -4,-1.1 35,-0.1 1,-0.2 2,-0.0 -0.407 99.1 -70.1 -83.7 166.6 68.9 49.1 -19.3 77 103 A L - 0 0 44 -2,-0.1 3,-0.3 1,-0.1 2,-0.2 -0.331 60.3-136.5 -54.7 127.3 65.9 48.9 -17.1 78 103AA Q + 0 0 106 1,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.599 68.5 9.5 -92.8 153.6 65.0 52.5 -16.2 79 103BA N S S+ 0 0 160 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.944 93.1 115.4 42.4 74.1 64.1 54.0 -12.9 80 104 A T S S- 0 0 36 -3,-0.3 2,-0.8 2,-0.0 -1,-0.2 -0.890 81.8 -71.7-152.2 170.8 64.8 51.0 -10.7 81 105 A W + 0 0 148 -2,-0.3 29,-2.6 27,-0.1 30,-0.4 -0.670 68.4 145.8 -74.9 111.7 67.3 50.5 -7.9 82 106 A A > + 0 0 12 -2,-0.8 3,-1.9 27,-0.2 4,-0.4 -0.536 20.9 175.2-151.4 76.9 70.7 50.3 -9.7 83 107 A P T >> S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.772 78.1 71.3 -53.7 -28.7 73.7 51.7 -7.8 84 108 A I H >> S+ 0 0 2 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.835 89.0 61.7 -60.4 -30.8 76.0 50.5 -10.6 85 109 A M H <4 S+ 0 0 22 -3,-1.9 -1,-0.3 1,-0.3 -12,-0.0 0.668 106.0 46.6 -70.4 -14.3 74.5 53.2 -12.9 86 110 A K H <4 S+ 0 0 172 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.563 100.8 66.2-101.1 -10.7 75.8 55.8 -10.5 87 111 A A H << S+ 0 0 46 -4,-0.7 2,-0.4 -3,-0.7 -2,-0.2 0.629 104.7 44.4 -84.8 -15.8 79.3 54.3 -10.1 88 112 A Y S < S- 0 0 70 -4,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.969 74.3-140.5-130.3 147.0 80.2 55.0 -13.7 89 112AA Q + 0 0 164 -2,-0.4 3,-0.1 3,-0.1 2,-0.1 -0.721 56.2 55.5-103.1 154.6 79.7 58.1 -15.9 90 112BA G S S- 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -17,-0.1 -0.229 83.2 -94.0 110.5 158.9 78.7 58.2 -19.5 91 113 A D S S+ 0 0 125 1,-0.2 -18,-2.7 -2,-0.1 -17,-0.4 0.642 114.5 30.7 -83.5 -16.5 76.0 56.9 -21.7 92 114 A E E S+H 72 0C 118 -20,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.989 70.9 145.6-144.7 132.7 78.1 53.8 -22.4 93 115 A F E -H 71 0C 21 -22,-1.7 -22,-3.9 -2,-0.3 2,-0.4 -0.934 36.9-119.1-154.7 168.1 80.7 52.1 -20.3 94 116 A S E -H 70 0C 60 -2,-0.3 -24,-0.2 -24,-0.3 -2,-0.0 -0.982 21.7-169.5-125.6 136.9 81.9 48.5 -19.6 95 117 A V E -H 69 0C 0 -26,-2.2 -26,-2.7 -2,-0.4 2,-0.1 -0.950 21.2-121.1-126.4 135.0 81.9 46.5 -16.4 96 118 A P E >> -H 68 0C 27 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.389 25.5-116.6 -75.8 156.7 83.5 43.2 -15.4 97 119 A V H 3> S+ 0 0 0 -30,-2.5 4,-2.6 -33,-0.4 5,-0.2 0.870 113.4 64.0 -55.2 -38.8 81.5 40.2 -14.2 98 120 A Q H 3> S+ 0 0 66 -33,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.836 107.4 41.3 -52.7 -41.4 83.3 40.4 -10.8 99 121 A Q H <> S+ 0 0 35 -3,-0.9 4,-2.5 -34,-0.3 -1,-0.2 0.804 109.8 56.0 -82.0 -32.9 81.8 43.8 -10.2 100 122 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.915 109.7 48.9 -65.3 -40.0 78.3 43.0 -11.5 101 123 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.931 110.7 49.8 -63.2 -47.5 78.2 40.1 -9.0 102 124 A Q H X>S+ 0 0 41 -4,-1.5 4,-2.1 -5,-0.2 5,-0.8 0.913 113.8 45.2 -58.3 -44.0 79.3 42.3 -6.2 103 125 A Y H X5S+ 0 0 39 -4,-2.5 6,-2.5 3,-0.2 4,-0.7 0.872 113.2 49.7 -69.9 -36.8 76.7 44.9 -7.0 104 126 A S H X5S+ 0 0 3 -4,-2.4 4,-0.6 4,-0.3 -2,-0.2 0.969 122.5 31.8 -64.8 -50.2 73.9 42.3 -7.5 105 127 A V H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.979 128.8 32.0 -74.6 -58.4 74.6 40.6 -4.2 106 128 A S H <5S+ 0 0 2 -4,-2.1 87,-1.6 -5,-0.3 88,-0.7 0.878 134.6 27.5 -69.9 -39.3 75.9 43.3 -1.8 107 129 A H H < - 0 0 0 -6,-2.5 4,-1.4 1,-0.1 -27,-0.2 -0.401 19.0-159.8 -64.9 124.0 71.4 46.0 -7.9 110 132 A N H > S+ 0 0 21 -29,-2.6 4,-1.6 -2,-0.2 34,-0.2 0.829 89.6 48.0 -76.5 -32.9 68.6 45.3 -10.4 111 133 A V H > S+ 0 0 4 -30,-0.4 4,-2.2 2,-0.2 5,-0.2 0.933 111.4 50.4 -72.8 -43.4 70.5 46.2 -13.6 112 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 108.8 55.3 -58.7 -41.8 73.5 44.1 -12.6 113 135 A C H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.939 109.7 43.0 -56.6 -51.3 71.2 41.2 -11.9 114 136 A D H X S+ 0 0 22 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.837 109.9 56.5 -69.0 -31.5 69.6 41.2 -15.4 115 137 A L H X S+ 0 0 20 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.889 109.1 47.7 -65.4 -37.9 72.9 41.7 -17.2 116 138 A L H >X S+ 0 0 1 -4,-1.9 3,-1.1 -5,-0.2 4,-1.0 0.910 106.2 57.4 -68.6 -41.6 74.2 38.5 -15.4 117 139 A F H >X>S+ 0 0 4 -4,-2.1 5,-2.6 1,-0.3 4,-0.9 0.900 102.3 57.1 -53.9 -40.8 71.0 36.7 -16.4 118 140 A E H 3<5S+ 0 0 154 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.726 101.3 55.8 -64.5 -24.9 71.8 37.5 -20.0 119 141 A L H <<5S+ 0 0 53 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.743 114.5 37.1 -78.1 -24.5 75.2 35.8 -19.8 120 142 A V H <<5S- 0 0 31 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.443 121.4 -86.6-110.8 -0.4 73.8 32.4 -18.6 121 143 A G T X5 - 0 0 58 -4,-0.9 4,-0.6 4,-0.1 3,-0.3 0.675 67.1 -95.7 105.3 16.9 70.5 31.9 -20.5 122 144 A G H >> S+ 0 0 20 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.832 132.3 60.5 -47.3 -39.5 65.6 32.6 -15.5 124 146 A A H 3> S+ 0 0 67 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.872 103.0 50.8 -59.3 -39.6 65.2 29.1 -17.2 125 147 A A H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-1.2 0.938 112.5 47.6 -64.1 -47.1 68.5 25.0 -8.7 131 153 A Q H ><5S+ 0 0 49 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.892 104.6 61.9 -60.8 -39.7 66.8 21.7 -9.6 132 154 A S H 3<5S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 98.6 56.2 -59.9 -22.8 70.1 20.2 -10.4 133 155 A M T <<5S- 0 0 16 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.325 124.9-105.3 -88.2 5.0 71.1 20.8 -6.7 134 156 A G T < 5S+ 0 0 40 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.599 78.0 136.3 84.1 11.1 68.1 18.7 -5.7 135 157 A I < + 0 0 0 -5,-1.6 3,-0.3 1,-0.2 -1,-0.2 -0.835 18.9 166.5 -94.8 110.5 66.0 21.7 -4.6 136 158 A K + 0 0 121 -2,-0.8 2,-0.6 1,-0.2 -1,-0.2 0.720 61.8 69.3 -95.6 -24.5 62.5 21.2 -6.0 137 159 A E S S+ 0 0 72 -6,-0.0 23,-2.3 2,-0.0 2,-0.3 -0.226 81.2 80.4 -94.5 47.4 60.6 23.8 -4.0 138 160 A T B -G 159 0B 2 -2,-0.6 2,-0.4 -3,-0.3 21,-0.2 -0.951 59.2-164.1-146.9 123.1 62.0 27.0 -5.4 139 161 A A - 0 0 14 19,-3.0 2,-0.4 -2,-0.3 19,-0.4 -0.933 9.2-177.4-116.8 137.7 60.7 28.5 -8.7 140 162 A V + 0 0 2 -2,-0.4 -13,-0.3 17,-0.2 17,-0.2 -0.964 23.4 142.1-130.8 116.4 62.4 31.1 -10.9 141 163 A V + 0 0 75 -2,-0.4 2,-0.3 1,-0.2 -17,-0.2 0.529 58.6 50.1-127.6 -15.6 60.5 32.2 -14.0 142 164 A A - 0 0 4 -19,-0.1 -1,-0.2 11,-0.1 2,-0.1 -0.934 60.3-141.3-133.8 154.2 61.2 36.0 -14.3 143 165 A N > - 0 0 34 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.309 45.4 -89.8 -95.9-176.5 64.0 38.5 -14.3 144 166 A E H > S+ 0 0 11 -34,-0.2 4,-1.8 2,-0.2 5,-0.2 0.904 124.3 54.1 -63.7 -41.9 63.9 42.0 -12.7 145 167 A A H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 111.3 45.3 -57.7 -49.4 62.6 43.7 -15.8 146 168 A Q H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 112.8 50.5 -63.8 -35.9 59.6 41.3 -16.1 147 169 A M H < S+ 0 0 16 -4,-2.0 7,-0.3 1,-0.2 -1,-0.2 0.789 110.4 51.4 -71.2 -25.5 58.9 41.6 -12.3 148 170 A H H < S+ 0 0 106 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.781 107.0 53.7 -78.6 -30.1 59.0 45.4 -12.8 149 171 A A H < S+ 0 0 87 -4,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.834 121.7 22.2 -74.0 -36.2 56.5 45.2 -15.7 150 172 A D >< - 0 0 67 -4,-1.5 3,-1.3 -5,-0.1 4,-0.4 -0.943 64.3-153.4-139.5 114.3 53.8 43.3 -13.8 151 173 A D T 3 S+ 0 0 77 -2,-0.4 4,-0.2 1,-0.2 -4,-0.1 0.454 93.2 64.2 -68.1 -0.8 53.6 43.2 -10.0 152 174 A Q T > S+ 0 0 132 1,-0.1 3,-1.7 2,-0.1 4,-0.3 0.757 87.5 72.9 -87.1 -29.5 51.9 39.8 -9.9 153 175 A V G X> S+ 0 0 17 -3,-1.3 3,-2.3 1,-0.3 4,-0.6 0.784 79.5 71.8 -53.1 -35.5 55.0 38.2 -11.4 154 176 A Q G >4 S+ 0 0 17 -4,-0.4 3,-0.8 1,-0.3 -112,-0.5 0.805 92.0 58.9 -56.4 -29.3 57.0 38.5 -8.1 155 177 A Y G <4 S+ 0 0 92 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.686 96.8 62.1 -74.0 -15.3 54.8 35.8 -6.7 156 178 A Q G <4 S+ 0 0 95 -3,-2.3 2,-1.1 -4,-0.3 -1,-0.2 0.659 90.9 67.1 -83.0 -17.0 56.0 33.4 -9.5 157 179 A N S << S+ 0 0 1 -3,-0.8 -115,-2.6 -4,-0.6 -114,-0.4 -0.787 84.8 146.9 -98.3 84.6 59.6 33.6 -8.3 158 180 A W E -F 41 0B 55 -2,-1.1 -19,-3.0 -19,-0.4 2,-0.3 -0.739 35.3-164.3-122.8 169.9 58.9 31.8 -5.0 159 181 A T E -FG 40 138B 2 -119,-1.9 -119,-2.7 -21,-0.2 -21,-0.2 -0.987 18.1-132.0-148.1 153.2 60.4 29.4 -2.5 160 182 A S > - 0 0 6 -23,-2.3 4,-1.7 -2,-0.3 5,-0.1 -0.579 37.6-108.4 -93.3 166.9 59.1 27.2 0.3 161 183 A M H > S+ 0 0 0 -126,-0.4 4,-1.8 -123,-0.3 5,-0.1 0.735 122.3 56.8 -71.7 -22.0 61.0 27.4 3.6 162 184 A K H > S+ 0 0 94 -126,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.914 106.3 50.7 -70.8 -41.7 62.5 24.0 3.0 163 185 A G H > S+ 0 0 0 -26,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.878 109.8 49.5 -61.8 -37.0 63.9 25.4 -0.3 164 186 A A H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.900 110.9 49.8 -69.1 -39.1 65.4 28.4 1.6 165 187 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.938 110.1 51.4 -64.3 -44.5 67.0 26.0 4.1 166 188 A E H X S+ 0 0 44 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.884 106.8 51.1 -62.5 -41.8 68.5 23.8 1.4 167 189 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.920 112.4 47.7 -63.8 -40.2 70.1 26.7 -0.6 168 190 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.897 113.1 48.9 -65.1 -37.8 71.8 27.9 2.7 169 191 A K H X S+ 0 0 35 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.890 110.1 50.5 -68.7 -40.0 72.9 24.4 3.5 170 192 A K H <>S+ 0 0 43 -4,-2.6 5,-0.9 2,-0.2 6,-0.6 0.891 114.6 44.2 -63.2 -43.0 74.4 23.8 0.0 171 193 A F H ><5S+ 0 0 1 -4,-2.0 3,-1.8 -5,-0.2 -2,-0.2 0.957 113.3 50.9 -66.0 -49.2 76.3 27.0 0.2 172 194 A E H 3<5S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.782 101.7 61.0 -59.4 -33.2 77.4 26.3 3.8 173 195 A Q T 3<5S- 0 0 100 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.529 96.7-140.6 -73.2 -6.5 78.7 22.9 2.9 174 196 A K T < 5 + 0 0 145 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.779 68.0 119.5 49.9 32.7 81.1 24.5 0.5 175 197 A T < + 0 0 92 -5,-0.9 -1,-0.1 1,-0.1 -4,-0.1 0.573 63.4 54.8-100.8 -11.1 80.5 21.6 -1.9 176 198 A Q S S+ 0 0 53 -6,-0.6 2,-0.3 -5,-0.1 -1,-0.1 0.623 106.7 41.8 -96.2 -18.3 79.1 23.6 -4.9 177 199 A L S S- 0 0 16 -6,-0.1 -121,-0.1 1,-0.1 -125,-0.0 -0.908 83.9-101.2-132.3 158.6 81.9 26.1 -5.5 178 200 A S > - 0 0 43 -2,-0.3 4,-2.3 -123,-0.2 5,-0.2 -0.217 46.1-102.6 -67.1 168.1 85.7 26.3 -5.7 179 201 A E H > S+ 0 0 178 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 123.5 51.3 -62.8 -37.7 87.4 27.7 -2.6 180 202 A T H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 111.7 44.5 -63.8 -47.7 88.0 30.9 -4.4 181 203 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 112.4 52.9 -64.9 -38.6 84.3 31.4 -5.5 182 204 A Q H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.915 109.4 48.7 -61.9 -44.2 83.1 30.4 -2.1 183 205 A A H X S+ 0 0 64 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.850 111.2 50.6 -65.3 -37.3 85.3 33.1 -0.5 184 206 A L H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.902 111.6 46.2 -67.5 -43.8 84.1 35.7 -2.9 185 207 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 111.4 51.5 -68.8 -39.5 80.5 35.0 -2.3 186 208 A W H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.926 109.5 52.9 -61.7 -41.7 80.9 35.0 1.5 187 209 A K H X S+ 0 0 94 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.945 109.9 45.6 -58.5 -49.8 82.7 38.3 1.2 188 210 A W H < S+ 0 0 3 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.860 113.4 50.2 -65.2 -34.6 79.8 40.0 -0.8 189 211 A M H < S+ 0 0 0 -4,-2.3 22,-2.1 2,-0.2 -1,-0.2 0.801 111.7 46.9 -73.7 -29.7 77.2 38.6 1.6 190 212 A V H < S+ 0 0 51 -4,-2.1 -2,-0.2 20,-0.3 -1,-0.2 0.855 112.6 51.3 -76.9 -34.8 79.1 39.8 4.7 191 213 A E S < S+ 0 0 81 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.527 78.5 137.0 -78.9 -6.1 79.5 43.2 3.1 192 214 A T - 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