==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-04 1Y54 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR C.MICHAUX,P.CHARLIER,J.-M.FRERE,J.WOUTERS . 359 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 1 0.3 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 0 1 0 2 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 3 1 1 2 0 1 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 . 3 1 0 0 0 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 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 3 A V 0 0 69 0, 0.0 32,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.3 -7.7 6.1 8.0 2 4 A S > - 0 0 54 3,-0.1 4,-2.0 4,-0.0 5,-0.2 0.931 360.0-172.6 82.7 62.5 -6.9 6.8 4.3 3 5 A E H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.781 84.3 52.5 -58.4 -30.0 -3.1 6.4 4.4 4 6 A K H > S+ 0 0 172 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.961 112.1 43.8 -67.5 -53.4 -2.9 7.6 0.8 5 7 A Q H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.763 113.7 55.2 -59.8 -25.9 -4.8 10.8 1.7 6 8 A L H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.833 105.4 47.7 -80.8 -36.8 -2.7 11.0 4.8 7 9 A A H X S+ 0 0 42 -4,-2.0 4,-1.8 -5,-0.2 5,-0.2 0.776 113.3 52.9 -73.4 -24.9 0.7 10.9 3.0 8 10 A E H X S+ 0 0 117 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.954 106.3 50.3 -70.6 -48.3 -0.8 13.5 0.8 9 11 A V H X S+ 0 0 34 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.911 116.7 40.8 -58.6 -45.4 -1.9 15.9 3.6 10 12 A V H >X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 3,-0.8 0.948 116.0 47.1 -70.4 -48.6 1.5 15.8 5.3 11 13 A A H 3X S+ 0 0 26 -4,-1.8 4,-2.3 1,-0.3 -2,-0.2 0.943 112.6 50.8 -59.1 -43.8 3.7 16.0 2.1 12 14 A N H 3< S+ 0 0 115 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.646 117.4 41.1 -70.7 -14.9 1.6 18.8 0.8 13 15 A T H S+ 0 0 68 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.947 115.9 52.5 -62.7 -42.9 6.1 23.9 0.9 17 19 A L H X S+ 0 0 19 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.965 110.7 44.6 -49.7 -62.3 7.0 24.6 4.5 18 20 A M H <>S+ 0 0 22 -4,-3.5 5,-2.7 1,-0.2 4,-0.5 0.834 115.5 49.0 -57.2 -37.0 10.5 23.3 4.2 19 21 A K H ><5S+ 0 0 175 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.948 112.5 47.4 -66.0 -49.2 11.0 25.1 0.9 20 22 A A H 3<5S+ 0 0 72 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 119.6 36.0 -62.9 -41.8 9.7 28.4 2.3 21 23 A Q T 3<5S- 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.324 109.4-114.9 -98.8 8.9 11.7 28.4 5.5 22 24 A S T < 5 + 0 0 99 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.938 50.6 172.7 58.2 54.5 14.9 26.8 4.1 23 25 A V < - 0 0 8 -5,-2.7 -1,-0.2 1,-0.2 317,-0.1 -0.829 25.1-160.8 -99.1 115.7 14.7 23.7 6.2 24 26 A P S S- 0 0 28 0, 0.0 19,-2.9 0, 0.0 2,-0.3 0.857 71.0 -1.2 -62.3 -36.0 17.2 20.9 5.3 25 27 A G E -A 42 0A 0 17,-0.3 314,-1.4 19,-0.1 2,-0.3 -0.999 56.3-174.8-157.2 156.6 15.4 18.1 7.0 26 28 A M E -AB 41 338A 0 15,-2.1 15,-2.2 -2,-0.3 2,-0.4 -0.986 11.3-156.8-152.7 144.9 12.3 17.1 8.9 27 29 A A E -AB 40 337A 0 310,-2.1 310,-3.0 -2,-0.3 2,-0.4 -1.000 20.1-172.6-123.6 125.3 10.8 14.1 10.7 28 30 A V E -AB 39 336A 0 11,-3.6 11,-3.4 -2,-0.4 2,-0.4 -0.922 11.9-174.7-121.8 144.1 7.1 14.0 11.2 29 31 A A E -AB 38 335A 0 306,-2.0 306,-2.4 -2,-0.4 2,-0.5 -0.990 4.3-168.4-134.4 126.6 4.8 11.6 13.1 30 32 A V E -AB 37 334A 0 7,-2.2 7,-2.7 -2,-0.4 2,-0.6 -0.958 12.1-150.4-108.1 128.3 1.0 11.8 13.1 31 33 A I E +AB 36 333A 4 302,-3.6 302,-3.1 -2,-0.5 2,-0.3 -0.927 32.4 149.3-107.5 132.6 -0.8 9.7 15.6 32 34 A Y E > +A 35 0A 47 3,-2.1 3,-0.7 -2,-0.6 300,-0.1 -0.968 61.1 13.8-157.8 132.6 -4.3 8.6 14.4 33 35 A Q T 3 S- 0 0 99 -2,-0.3 299,-0.1 298,-0.3 298,-0.1 0.931 132.7 -57.1 55.7 48.0 -6.3 5.5 15.2 34 36 A G T 3 S+ 0 0 66 297,-0.5 -1,-0.2 1,-0.2 298,-0.1 0.743 118.8 104.6 56.9 29.5 -4.0 4.5 18.0 35 37 A K E < -A 32 0A 103 -3,-0.7 -3,-2.1 2,-0.0 2,-0.5 -0.998 67.7-129.8-141.9 140.8 -1.0 4.5 15.7 36 38 A P E -A 31 0A 30 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.804 20.4-157.4 -86.7 130.9 2.0 6.7 14.9 37 39 A H E -A 30 0A 23 -7,-2.7 -7,-2.2 -2,-0.5 2,-0.4 -0.956 11.7-150.4-108.2 113.3 2.5 7.4 11.2 38 40 A Y E +A 29 0A 72 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.704 17.4 176.7 -96.1 133.3 6.1 8.4 10.3 39 41 A Y E -A 28 0A 36 -11,-3.4 -11,-3.6 -2,-0.4 2,-0.3 -0.999 7.9-165.6-136.0 135.8 7.0 10.6 7.5 40 42 A T E +A 27 0A 54 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.924 6.7 179.4-129.1 144.0 10.5 11.8 6.6 41 43 A F E -A 26 0A 39 -15,-2.2 -15,-2.1 -2,-0.3 12,-0.1 -0.997 41.7 -23.4-144.9 140.6 12.0 14.5 4.4 42 44 A G E S-A 25 0A 37 -2,-0.3 10,-2.1 -17,-0.2 2,-0.4 -0.069 86.9 -22.4 64.2-149.4 15.4 15.9 3.3 43 45 A K E -I 51 0B 75 -19,-2.9 3,-0.2 8,-0.3 296,-0.2 -0.861 21.6-172.2-118.0 131.7 18.7 15.7 5.0 44 46 A A E S+ 0 0 8 6,-2.3 155,-2.1 -2,-0.4 2,-0.4 0.899 99.6 15.6 -72.1 -46.2 20.0 15.2 8.6 45 47 A D E > -I 50 0B 29 5,-1.6 5,-3.2 153,-0.2 -1,-0.3 -0.969 69.1-174.0-131.9 113.5 23.6 16.0 7.4 46 48 A I T 5S+ 0 0 74 -2,-0.4 3,-0.3 -3,-0.2 -1,-0.1 0.865 83.4 53.1 -82.7 -36.8 23.9 17.7 4.0 47 49 A A T 5S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.830 119.6 37.4 -65.8 -30.9 27.7 17.7 3.6 48 50 A A T 5S- 0 0 54 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.433 109.3-127.9 -93.1 -7.3 27.6 14.0 4.3 49 51 A N T 5 + 0 0 105 -3,-0.3 -3,-0.2 1,-0.2 -2,-0.1 0.913 46.8 166.5 54.9 49.3 24.4 13.6 2.4 50 52 A K E < -I 45 0B 94 -5,-3.2 -6,-2.3 3,-0.0 -5,-1.6 -0.860 28.3-137.1 -96.7 119.9 22.8 11.7 5.3 51 53 A P E -I 43 0B 80 0, 0.0 -8,-0.3 0, 0.0 2,-0.1 -0.381 24.6 -99.0 -75.4 152.8 19.0 11.4 4.9 52 54 A V + 0 0 6 -10,-2.1 -12,-0.1 -26,-0.1 -10,-0.1 -0.458 48.1 178.7 -70.2 144.5 16.5 11.9 7.7 53 55 A T > - 0 0 50 -2,-0.1 3,-2.1 143,-0.1 172,-0.4 -0.934 46.1-100.0-143.5 156.4 15.4 8.7 9.3 54 56 A P T 3 S+ 0 0 40 0, 0.0 172,-0.9 0, 0.0 170,-0.1 0.435 124.7 50.6 -64.4 7.1 13.1 7.7 12.2 55 57 A Q T 3 S+ 0 0 92 169,-0.1 2,-0.4 170,-0.1 -3,-0.0 0.192 79.5 124.0-124.1 14.7 16.2 7.2 14.3 56 58 A T < - 0 0 8 -3,-2.1 2,-0.6 141,-0.1 169,-0.3 -0.630 61.4-131.3 -69.1 120.3 17.7 10.6 13.5 57 59 A L B -j 197 0C 1 139,-4.3 141,-2.5 -2,-0.4 2,-0.4 -0.687 26.3-174.3 -83.8 124.2 18.3 12.5 16.7 58 60 A F E -K 223 0D 0 165,-4.3 165,-2.2 -2,-0.6 2,-0.5 -0.897 31.0-113.2-109.0 144.2 17.1 16.0 16.8 59 61 A E E -K 222 0D 1 -2,-0.4 163,-0.2 163,-0.2 279,-0.2 -0.685 24.3-157.6 -74.6 121.2 17.6 18.6 19.6 60 62 A L > - 0 0 0 161,-2.3 3,-1.5 -2,-0.5 262,-0.2 0.657 17.4-170.7 -74.8 -21.6 14.2 19.2 21.1 61 63 A G G > + 0 0 0 158,-0.7 3,-2.6 160,-0.5 160,-0.4 -0.279 69.7 1.5 57.9-142.8 15.0 22.6 22.6 62 64 A S G > S+ 0 0 17 254,-0.5 3,-1.5 1,-0.3 -1,-0.3 0.560 116.1 81.1 -58.9 -4.6 12.3 23.9 24.9 63 65 A I G X> S+ 0 0 0 -3,-1.5 3,-1.4 1,-0.3 4,-0.6 0.659 74.0 78.4 -78.3 -12.6 10.2 20.8 24.5 64 66 A S H X> S+ 0 0 0 -3,-2.6 4,-1.8 1,-0.2 3,-0.8 0.762 76.8 74.6 -53.5 -27.4 12.5 19.2 27.1 65 67 A K H <> S+ 0 0 0 -3,-1.5 4,-1.6 153,-0.4 -1,-0.2 0.695 86.1 61.5 -66.6 -19.5 10.4 21.2 29.6 66 68 A T H <> S+ 0 0 0 -3,-1.4 4,-1.9 202,-0.2 -1,-0.3 0.865 105.6 46.4 -71.8 -33.7 7.6 18.6 29.2 67 69 A F H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 3,-1.7 0.996 113.7 43.9 -56.0 -68.2 9.6 14.2 36.3 72 74 A G H 3X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.804 114.6 52.5 -39.9 -41.8 8.8 17.0 38.8 73 75 A G H 3X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.826 105.9 52.3 -68.1 -33.8 5.2 15.7 38.6 74 76 A D H S+ 0 0 4 -4,-1.9 5,-1.7 2,-0.2 6,-1.0 0.814 108.3 52.7 -66.5 -35.4 8.3 13.3 42.5 76 78 A I H ><5S+ 0 0 31 -4,-1.4 3,-1.4 -5,-0.3 -2,-0.2 0.944 109.5 46.5 -62.5 -51.9 5.2 15.1 43.7 77 79 A A H 3<5S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.698 107.8 58.5 -67.6 -20.1 3.0 11.9 43.4 78 80 A R T 3<5S- 0 0 109 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.590 114.9-119.9 -79.6 -20.0 5.8 10.0 45.2 79 81 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.403 85.2 113.6 93.3 1.7 5.4 12.4 48.1 80 82 A E S - 0 0 32 -2,-0.3 3,-0.8 4,-0.1 22,-0.4 -0.997 18.8-140.6-141.8 136.3 4.9 19.6 47.0 83 85 A L T 3 S+ 0 0 18 -2,-0.3 22,-2.8 1,-0.3 21,-0.6 0.834 103.5 53.6 -65.4 -33.5 4.0 22.5 44.8 84 86 A D T 3 S+ 0 0 114 20,-0.2 -1,-0.3 19,-0.2 3,-0.1 0.717 85.3 105.5 -74.9 -20.8 2.7 24.6 47.7 85 87 A D S < S- 0 0 44 -3,-0.8 19,-2.2 18,-0.1 20,-0.2 -0.362 84.0-103.6 -60.6 137.3 5.9 24.2 49.7 86 88 A P B > -M 103 0E 56 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.251 23.7-123.2 -56.2 146.5 8.2 27.2 49.8 87 89 A V G >> S+ 0 0 0 15,-2.3 3,-2.2 12,-0.3 4,-0.8 0.878 112.0 67.8 -55.6 -36.1 11.2 26.9 47.4 88 90 A T G 34 S+ 0 0 53 14,-0.4 -1,-0.3 11,-0.3 6,-0.1 0.600 82.7 75.0 -64.6 -14.8 13.3 27.5 50.5 89 91 A R G <4 S+ 0 0 145 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.791 107.5 31.0 -64.1 -31.4 12.2 24.1 51.8 90 92 A Y T <4 S+ 0 0 32 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.544 133.4 31.0-110.3 -7.3 14.5 22.4 49.3 91 93 A W >< + 0 0 20 -4,-0.8 3,-1.8 3,-0.1 -1,-0.2 -0.610 63.2 171.0-148.8 77.0 17.2 25.1 49.2 92 94 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.693 72.5 72.1 -71.3 -14.9 17.4 26.8 52.6 93 95 A Q T 3 + 0 0 109 1,-0.1 2,-1.7 2,-0.1 3,-0.1 0.602 68.9 98.7 -75.6 -11.5 20.6 28.7 51.6 94 96 A L < + 0 0 4 -3,-1.8 -1,-0.1 1,-0.2 -3,-0.1 -0.607 56.7 171.4 -71.6 88.8 18.4 30.8 49.3 95 97 A T + 0 0 99 -2,-1.7 -1,-0.2 3,-0.0 39,-0.1 0.507 22.6 119.4 -92.3 -6.6 18.3 33.5 52.0 96 98 A G - 0 0 16 1,-0.1 3,-0.5 -3,-0.1 39,-0.1 -0.172 62.8-135.1 -63.5 152.7 16.7 36.5 50.4 97 99 A K S > S+ 0 0 172 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.658 105.4 70.3 -77.1 -15.3 13.5 38.0 51.8 98 100 A Q T 3 S+ 0 0 43 1,-0.2 3,-0.4 36,-0.2 -1,-0.2 0.831 91.1 56.8 -62.8 -43.1 12.4 38.1 48.2 99 101 A W T > S+ 0 0 4 -3,-0.5 3,-0.8 1,-0.2 -11,-0.3 0.436 82.2 101.7 -73.3 -1.9 12.1 34.4 48.1 100 102 A Q T < S+ 0 0 120 -3,-0.8 -1,-0.2 1,-0.2 -12,-0.1 0.953 85.4 29.2 -50.4 -67.5 9.7 34.5 51.0 101 103 A G T 3 S+ 0 0 49 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.2 0.365 92.3 112.7 -84.5 9.6 6.3 34.0 49.3 102 104 A I < - 0 0 2 -3,-0.8 -15,-2.3 -4,-0.1 -14,-0.4 -0.718 46.3-167.1 -92.4 118.5 7.5 31.9 46.4 103 105 A R B > -M 86 0E 58 -2,-0.7 4,-1.3 -17,-0.3 3,-0.2 -0.370 38.2-101.5 -87.6 173.1 6.3 28.3 46.4 104 106 A M H > S+ 0 0 0 -19,-2.2 4,-2.4 -21,-0.6 -20,-0.2 0.884 120.2 62.2 -60.8 -38.1 7.5 25.5 44.2 105 107 A L H > S+ 0 0 12 -22,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.911 98.8 56.5 -55.1 -43.0 4.5 25.9 41.9 106 108 A D H >>S+ 0 0 0 -23,-0.3 5,-2.6 -3,-0.2 6,-0.5 0.940 108.9 44.3 -52.2 -55.6 5.7 29.4 41.1 107 109 A L H ><5S+ 0 0 0 -4,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.911 114.6 52.0 -55.7 -42.6 9.0 28.2 39.9 108 110 A A H 3<5S+ 0 0 1 -4,-2.4 160,-0.5 1,-0.2 -1,-0.2 0.821 118.3 33.2 -66.1 -35.8 7.3 25.4 38.0 109 111 A T H 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.067 112.7-104.4-116.5 23.7 4.8 27.6 36.1 110 112 A Y T <<5S+ 0 0 4 -3,-0.8 37,-1.5 -4,-0.5 -3,-0.2 0.791 86.8 113.8 65.1 35.5 6.8 30.8 35.6 111 113 A T < + 0 0 1 -5,-2.6 32,-2.7 -6,-0.2 33,-0.5 0.110 26.5 110.6-127.4 30.9 5.2 32.9 38.2 112 114 A A S S- 0 0 3 -6,-0.5 -1,-0.1 30,-0.2 -5,-0.1 0.979 101.3 -83.0 -55.8 -60.2 7.8 33.6 40.9 113 115 A G S S- 0 0 0 32,-0.2 27,-1.1 29,-0.1 -2,-0.1 0.322 92.4 -24.4 162.1 32.9 7.8 37.3 39.9 114 116 A G + 0 0 13 31,-0.3 23,-0.1 1,-0.2 3,-0.1 0.651 65.2 173.5 120.6 19.8 10.1 37.9 36.9 115 117 A L - 0 0 5 1,-0.1 37,-0.2 34,-0.1 -1,-0.2 -0.447 44.2-103.0 -59.2 135.0 12.8 35.2 36.7 116 118 A P - 0 0 42 0, 0.0 35,-1.2 0, 0.0 36,-0.2 -0.215 18.5-113.4 -70.3 149.0 14.6 35.8 33.4 117 119 A L S S+ 0 0 67 32,-0.2 33,-4.3 33,-0.2 34,-0.3 0.883 97.7 18.9 -41.4 -58.0 14.2 33.9 30.1 118 120 A Q S S- 0 0 116 32,-0.2 3,-0.1 31,-0.2 33,-0.0 -0.694 86.9-102.3-113.4 172.3 17.6 32.5 30.2 119 121 A V - 0 0 24 -2,-0.2 94,-0.1 94,-0.2 10,-0.0 -0.851 51.5 -95.9 -93.1 128.8 20.3 31.9 32.8 120 122 A P - 0 0 50 0, 0.0 3,-0.3 0, 0.0 93,-0.2 0.121 25.3-123.3 -42.9 151.4 23.2 34.5 32.7 121 123 A D S S+ 0 0 139 1,-0.2 92,-0.1 91,-0.1 -2,-0.0 0.744 109.8 59.8 -73.9 -22.0 26.3 33.6 30.8 122 124 A E S S+ 0 0 134 6,-0.1 2,-1.1 2,-0.1 -1,-0.2 0.806 77.9 97.1 -76.8 -28.6 28.4 34.2 33.9 123 125 A V + 0 0 13 -3,-0.3 90,-0.5 1,-0.2 3,-0.1 -0.504 40.8 147.0 -65.8 102.1 26.6 31.6 35.8 124 126 A T + 0 0 90 -2,-1.1 2,-0.3 88,-0.1 -1,-0.2 0.270 60.6 12.2-118.4 -1.2 29.0 28.7 35.3 125 127 A D S > S- 0 0 69 -3,-0.1 4,-2.8 1,-0.1 5,-0.1 -0.958 87.2 -82.2-165.0-176.7 28.6 26.9 38.6 126 128 A N H > S+ 0 0 123 -2,-0.3 4,-4.0 2,-0.2 5,-0.1 0.852 122.7 49.8 -70.0 -36.0 26.6 26.5 41.8 127 129 A A H > S+ 0 0 48 2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.985 117.2 40.5 -62.0 -57.8 28.2 29.4 43.7 128 130 A S H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.876 115.6 54.9 -54.0 -41.5 27.6 31.7 40.7 129 131 A L H X S+ 0 0 15 -4,-2.8 4,-1.7 1,-0.2 5,-0.3 0.978 109.5 44.7 -60.1 -50.3 24.3 30.0 40.5 130 132 A V H X S+ 0 0 32 -4,-4.0 4,-3.0 1,-0.2 5,-0.2 0.926 110.3 53.5 -64.3 -41.3 23.5 30.8 44.1 131 133 A R H X S+ 0 0 152 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.909 107.3 55.3 -57.6 -40.9 24.7 34.4 43.9 132 134 A F H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.961 115.4 33.7 -51.4 -65.2 22.4 34.8 40.9 133 135 A Y H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.774 116.8 57.3 -66.0 -30.1 19.2 33.7 42.6 134 136 A Q H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.918 116.6 34.5 -64.3 -43.8 20.3 35.2 45.9 135 137 A N T 3< S+ 0 0 136 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.006 89.6 116.6-104.5 27.0 20.7 38.6 44.3 136 138 A W < - 0 0 25 -3,-0.8 -38,-0.1 -5,-0.0 -21,-0.1 -0.850 52.6-150.2 -92.5 128.4 17.8 38.5 41.8 137 139 A Q - 0 0 135 -2,-0.5 -2,-0.1 1,-0.2 -24,-0.1 -0.870 7.7-137.6-103.2 130.5 15.1 41.0 42.4 138 140 A P - 0 0 7 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.661 7.0-159.0 -44.5-144.8 11.4 40.3 41.4 139 141 A Q S S+ 0 0 147 1,-0.8 2,-0.2 -26,-0.0 -25,-0.1 -0.014 78.4 28.4-174.9 -49.9 9.2 42.9 39.7 140 142 A W S S- 0 0 86 -27,-1.1 -1,-0.8 5,-0.1 3,-0.1 -0.750 92.4 -99.7-118.1 164.6 5.8 41.5 40.6 141 143 A K > - 0 0 134 -2,-0.2 3,-0.7 1,-0.2 4,-0.3 -0.587 56.1 -68.7 -89.9 159.9 4.8 39.5 43.6 142 144 A P T 3 S+ 0 0 37 0, 0.0 -30,-0.2 0, 0.0 -1,-0.2 -0.005 117.8 16.0 -39.4 139.7 4.4 35.7 43.5 143 145 A G T 3 S+ 0 0 18 -32,-2.7 155,-0.2 2,-0.1 153,-0.1 0.783 105.0 91.9 65.5 30.8 1.5 34.3 41.5 144 146 A T S < S+ 0 0 51 -3,-0.7 152,-0.6 -33,-0.5 2,-0.3 0.509 79.4 36.5-127.1 -15.6 0.9 37.5 39.6 145 147 A T E -N 295 0F 12 -34,-0.3 2,-0.3 -4,-0.3 -31,-0.3 -0.770 59.5-148.3-157.9 108.4 2.8 37.5 36.4 146 148 A R E +N 294 0F 15 148,-1.9 148,-2.0 -2,-0.3 2,-0.3 -0.562 23.5 166.1 -74.1 124.1 3.7 34.7 33.9 147 149 A L - 0 0 32 -37,-1.5 -33,-0.1 -2,-0.3 -35,-0.1 -0.789 37.4-124.9-145.8 95.3 7.0 35.1 32.1 148 150 A Y + 0 0 21 142,-0.4 2,-0.3 -2,-0.3 -39,-0.0 -0.022 45.9 164.4 -38.1 125.2 8.3 32.1 30.3 149 151 A A > - 0 0 0 1,-0.1 4,-1.7 2,-0.0 5,-0.3 -0.969 49.2-153.8-159.8 141.9 11.8 31.3 31.6 150 152 A N H > S+ 0 0 11 -33,-4.3 4,-2.3 -2,-0.3 5,-0.3 0.878 102.0 60.4 -75.1 -39.6 14.5 28.7 31.8 151 153 A A H 4 S+ 0 0 0 -35,-1.2 4,-0.3 -34,-0.3 -1,-0.2 0.634 110.7 44.6 -62.6 -17.1 15.9 30.2 35.0 152 154 A S H > S+ 0 0 1 -36,-0.2 4,-1.7 -3,-0.2 3,-0.3 0.894 120.8 30.4 -93.4 -67.4 12.5 29.4 36.6 153 155 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.850 115.9 64.3 -70.2 -24.3 11.5 25.9 35.5 154 156 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.957 102.5 46.3 -56.9 -48.1 15.1 25.0 35.4 155 157 A L H > S+ 0 0 4 -4,-0.3 4,-2.3 -5,-0.3 5,-0.3 0.885 109.6 54.7 -66.8 -37.8 15.5 25.5 39.1 156 158 A F H X S+ 0 0 1 -4,-1.7 4,-2.7 -49,-0.2 -1,-0.2 0.929 108.2 50.0 -54.7 -43.4 12.3 23.6 39.8 157 159 A G H X S+ 0 0 2 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.944 112.9 45.2 -64.6 -43.6 13.8 20.7 37.9 158 160 A A H < S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 118.3 42.2 -69.8 -35.6 17.0 20.7 39.8 159 161 A L H >< S+ 0 0 5 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.842 105.3 65.0 -77.4 -38.6 15.4 21.1 43.2 160 162 A A H 3< S+ 0 0 4 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.771 103.0 46.8 -57.3 -33.5 12.7 18.5 42.4 161 163 A V T >X>S+ 0 0 12 -4,-1.0 3,-0.8 1,-0.2 4,-0.6 0.459 85.6 91.8 -90.6 -8.4 15.1 15.6 42.1 162 164 A K G X45S+ 0 0 105 -3,-1.3 3,-2.7 1,-0.3 -1,-0.2 0.965 83.0 52.6 -59.6 -52.7 17.1 16.3 45.3 163 165 A P G 345S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.769 100.6 64.1 -54.9 -22.2 15.1 14.1 47.6 164 166 A S G <45S- 0 0 24 -3,-0.8 -2,-0.2 2,-0.2 -3,-0.1 0.744 99.3-140.7 -72.2 -18.3 15.6 11.3 45.2 165 167 A G T <<5 + 0 0 68 -3,-2.7 -3,-0.1 -4,-0.6 -1,-0.1 0.449 64.7 115.8 72.5 -0.9 19.3 11.5 45.9 166 168 A M S - 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.215 42.0-103.2 -54.8 157.6 21.6 13.4 39.9 168 170 A Y H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.851 118.3 49.1 -56.2 -42.2 19.1 14.9 37.4 169 171 A E H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 113.3 44.6 -70.3 -43.3 20.1 12.8 34.4 170 172 A Q H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.870 113.8 51.4 -68.4 -36.3 20.0 9.4 36.2 171 173 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.961 110.0 49.1 -64.5 -42.9 16.7 10.3 37.9 172 174 A M H X>S+ 0 0 1 -4,-2.4 5,-2.1 -5,-0.2 4,-1.5 0.903 114.7 45.1 -60.4 -42.3 15.2 11.3 34.5 173 175 A T H <>S+ 0 0 43 -4,-2.0 5,-2.3 3,-0.2 -1,-0.2 0.902 118.8 42.2 -66.4 -43.7 16.4 8.0 32.9 174 176 A T H <5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.892 122.7 33.0 -72.3 -47.0 15.2 5.9 35.9 175 177 A R H <5S+ 0 0 20 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.746 135.4 8.3 -93.2 -15.3 11.9 7.4 36.7 176 178 A V T X5S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.4 -3,-0.2 0.740 119.6 46.9-128.7 -56.3 10.6 8.5 33.2 177 179 A L H >>XS+ 0 0 7 -5,-2.1 5,-2.5 2,-0.2 3,-0.9 0.977 115.8 40.3 -61.6 -62.8 12.6 7.5 30.1 178 180 A K H >4 < + 0 0 4 -5,-2.5 3,-0.8 1,-0.2 -1,-0.2 -0.681 7.6 161.2 -93.6 74.4 12.3 5.8 25.5 183 185 A D T 3 + 0 0 63 -2,-1.2 -1,-0.2 1,-0.3 -5,-0.1 0.457 65.8 51.9 -87.9 0.4 15.7 4.2 24.9 184 186 A H T 3 S+ 0 0 72 -3,-0.1 40,-0.5 -7,-0.1 2,-0.4 -0.263 82.8 103.6-129.4 46.5 16.9 6.6 22.3 185 187 A T < - 0 0 7 -3,-0.8 2,-0.3 38,-0.2 38,-0.2 -0.999 50.6-179.4-126.1 121.8 16.2 9.8 24.2 186 188 A W B -L 222 0D 59 36,-2.7 36,-3.0 -2,-0.4 3,-0.2 -0.928 42.5-167.8-131.6 149.6 19.3 11.5 25.7 187 189 A I S S+ 0 0 12 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.718 105.3 24.6 -92.5 -31.5 20.4 14.5 27.7 188 190 A N S S- 0 0 93 -3,-0.1 -1,-0.4 34,-0.1 -3,-0.0 -0.992 90.8-131.2-129.5 116.4 23.9 13.5 26.6 189 191 A V - 0 0 32 -2,-0.4 5,-0.1 -3,-0.2 -5,-0.0 -0.539 23.7-123.3 -78.4 124.0 24.3 11.5 23.4 190 192 A P >> - 0 0 45 0, 0.0 3,-3.7 0, 0.0 4,-0.8 -0.393 19.5-119.4 -61.2 141.0 26.6 8.5 23.8 191 193 A K G >4 S+ 0 0 171 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.852 116.3 62.9 -45.1 -41.7 29.5 8.5 21.4 192 194 A A G 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.506 108.7 41.3 -66.3 -4.5 28.1 5.2 20.1 193 195 A E G X4 S+ 0 0 36 -3,-3.7 3,-2.5 2,-0.1 4,-0.4 0.512 80.9 97.3-118.4 -6.6 25.0 7.2 19.0 194 196 A E G X< S+ 0 0 70 -3,-0.9 3,-2.0 -4,-0.8 -2,-0.1 0.780 72.9 70.9 -58.9 -24.6 26.3 10.4 17.5 195 197 A A G 3 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.763 99.7 49.1 -62.7 -23.0 26.1 9.0 14.0 196 198 A H G < S+ 0 0 69 -3,-2.5 -139,-4.3 -140,-0.1 2,-0.7 0.413 89.3 108.6 -87.7 -4.7 22.3 9.3 14.4 197 199 A Y B < -j 57 0C 29 -3,-2.0 -139,-0.1 -4,-0.4 -141,-0.1 -0.650 66.3-138.7 -81.5 117.3 22.7 12.8 15.6 198 200 A A - 0 0 0 -141,-2.5 2,-0.3 -2,-0.7 -153,-0.2 -0.218 13.8-119.7 -64.0 161.4 21.5 15.3 13.1 199 201 A W - 0 0 84 -155,-2.1 2,-0.2 9,-0.1 9,-0.1 -0.822 24.0-138.0 -96.0 145.0 23.4 18.5 12.3 200 202 A G E -O 207 0G 0 7,-1.4 7,-3.1 -2,-0.3 2,-0.4 -0.671 9.9-147.7 -98.3 159.3 21.6 21.9 12.9 201 203 A Y E +O 206 0G 22 118,-1.2 140,-0.5 138,-0.8 5,-0.2 -0.981 25.0 160.7-134.0 124.1 21.8 24.8 10.5 202 204 A R S S- 0 0 149 3,-2.9 2,-0.2 -2,-0.4 -1,-0.1 0.849 80.3 -0.5-107.9 -72.4 21.7 28.4 11.6 203 205 A D S S- 0 0 141 2,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.523 126.6 -62.4-116.5 62.0 23.1 30.9 9.0 204 206 A G S S+ 0 0 80 1,-0.2 2,-0.4 -2,-0.2 -3,-0.0 0.689 118.1 111.6 65.4 17.1 24.0 28.3 6.4 205 207 A K S S- 0 0 152 2,-0.0 -3,-2.9 0, 0.0 -2,-0.3 -0.986 74.0-120.8-124.3 127.2 26.4 27.0 9.0 206 208 A A E +O 201 0G 47 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.468 41.8 176.4 -69.6 130.4 25.9 23.7 10.7 207 209 A V E -O 200 0G 47 -7,-3.1 -7,-1.4 -2,-0.2 2,-0.4 -0.966 22.5-160.0-140.8 154.7 25.6 24.1 14.5 208 210 A R - 0 0 56 -2,-0.3 -9,-0.1 -9,-0.1 -2,-0.0 -0.995 38.0 -91.5-135.5 144.7 24.9 22.1 17.6 209 211 A V - 0 0 45 -2,-0.4 108,-0.0 1,-0.1 -1,-0.0 -0.017 38.8-136.1 -50.0 149.5 23.7 23.2 21.0 210 212 A S - 0 0 87 1,-0.0 2,-0.1 5,-0.0 -1,-0.1 -0.798 25.6 -95.4-107.8 154.6 26.3 24.2 23.6 211 213 A P + 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.431 48.7 167.8 -67.8 143.6 26.3 23.2 27.3 212 214 A G > - 0 0 26 -2,-0.1 3,-2.1 -88,-0.0 4,-0.3 -0.977 44.3 -77.1-151.3 157.0 24.8 25.7 29.8 213 215 A M T 3 S+ 0 0 45 -90,-0.5 -94,-0.2 -2,-0.3 -90,-0.1 -0.367 118.1 3.9 -60.3 130.6 23.7 25.8 33.4 214 216 A L T 3> S+ 0 0 16 -2,-0.1 4,-1.1 -60,-0.1 -1,-0.3 0.678 90.0 137.6 71.1 18.5 20.4 24.1 33.8 215 217 A D H X>> + 0 0 45 -3,-2.1 4,-3.5 1,-0.2 3,-1.8 0.964 64.3 54.0 -61.6 -56.1 20.3 23.1 30.2 216 218 A A H 345S+ 0 0 10 1,-0.3 -1,-0.2 -4,-0.3 5,-0.1 0.812 110.8 50.1 -46.6 -36.2 19.0 19.5 30.6 217 219 A Q H 345S+ 0 0 16 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.779 125.7 21.9 -75.6 -26.3 16.1 21.0 32.5 218 220 A A H <<5S- 0 0 0 -3,-1.8 -153,-0.4 -4,-1.1 -2,-0.2 0.703 138.3 -13.7-123.4 -16.3 15.2 23.6 30.0 219 221 A Y T <5S+ 0 0 42 -4,-3.5 -158,-0.7 -5,-0.2 -3,-0.2 0.440 97.2 94.6-161.5 0.5 16.4 22.8 26.5 220 222 A G < + 0 0 5 -5,-1.6 2,-0.3 -6,-0.1 -4,-0.2 0.138 48.9 113.6-102.1 21.6 19.0 20.0 26.2 221 223 A V - 0 0 3 -160,-0.4 -161,-2.3 -6,-0.2 -160,-0.5 -0.751 45.3-160.2 -91.4 139.8 17.2 16.8 25.5 222 224 A K E +KL 59 186D 20 -36,-3.0 -36,-2.7 -2,-0.3 2,-0.3 -0.980 17.4 159.2-124.5 133.8 17.7 15.0 22.1 223 225 A T E -K 58 0D 0 -165,-2.2 -165,-4.3 -2,-0.4 2,-0.2 -0.846 34.3-117.4-138.5 176.7 15.4 12.4 20.4 224 226 A N > - 0 0 4 -40,-0.5 4,-2.0 -167,-0.3 5,-0.2 -0.657 43.3-102.5-108.3 167.1 14.3 10.6 17.3 225 227 A V H > S+ 0 0 0 -172,-0.4 4,-0.8 -169,-0.3 -170,-0.1 0.682 117.1 56.9 -76.2 -13.1 10.8 10.8 15.9 226 228 A Q H > S+ 0 0 70 -172,-0.9 4,-2.1 2,-0.2 3,-0.3 0.931 108.2 42.8 -79.7 -52.0 9.8 7.4 17.2 227 229 A D H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.907 115.4 52.7 -60.5 -35.3 10.6 8.0 20.9 228 230 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.839 107.5 50.9 -69.2 -29.7 8.9 11.4 20.6 229 231 A A H X S+ 0 0 0 -4,-0.8 4,-1.7 -3,-0.3 -1,-0.2 0.896 111.1 47.4 -73.1 -39.7 5.8 9.9 19.1 230 232 A N H X S+ 0 0 73 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.801 109.5 55.2 -69.5 -31.8 5.6 7.4 21.9 231 233 A W H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 5,-0.3 0.940 107.9 47.9 -63.7 -49.9 6.1 10.2 24.4 232 234 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.886 113.2 50.3 -58.1 -37.8 3.2 12.1 22.9 233 235 A M H X S+ 0 0 35 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.908 106.6 52.0 -70.4 -43.4 1.1 8.9 23.1 234 236 A A H < S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 116.7 41.2 -59.7 -38.8 2.0 8.2 26.8 235 237 A N H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.755 114.2 53.4 -77.4 -28.5 0.9 11.7 27.7 236 238 A M H < S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.914 128.3 16.1 -76.1 -41.8 -2.1 11.6 25.4 237 239 A A >< + 0 0 11 -4,-2.8 3,-1.3 -5,-0.1 -1,-0.3 -0.600 69.8 168.9-132.1 73.3 -3.5 8.4 26.8 238 240 A P G > + 0 0 18 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.498 54.1 98.2 -66.8 -3.2 -1.8 7.9 30.2 239 241 A E G 3 S+ 0 0 115 1,-0.3 -5,-0.1 -3,-0.1 8,-0.1 0.728 81.1 50.2 -59.5 -26.1 -4.3 5.1 31.0 240 242 A N G < S+ 0 0 129 -3,-1.3 2,-0.6 -6,-0.1 -1,-0.3 0.141 78.9 117.8-108.5 26.8 -1.8 2.4 30.0 241 243 A V < - 0 0 12 -3,-1.9 6,-0.1 1,-0.2 -61,-0.1 -0.826 50.1-160.4 -85.8 119.5 1.1 3.7 32.0 242 244 A A + 0 0 90 -2,-0.6 -1,-0.2 -63,-0.2 5,-0.1 0.997 66.7 78.6 -64.8 -71.6 2.0 1.1 34.6 243 245 A D S >> S- 0 0 79 1,-0.2 4,-2.1 -64,-0.1 3,-0.6 -0.163 72.6-147.7 -46.2 113.0 4.0 2.9 37.3 244 246 A A H 3> S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.833 94.2 52.7 -60.2 -31.3 1.3 4.6 39.4 245 247 A S H 3> S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 109.1 48.9 -77.3 -27.2 3.5 7.6 40.2 246 248 A L H <> S+ 0 0 1 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.858 109.0 51.3 -76.1 -38.3 4.4 8.3 36.5 247 249 A K H X S+ 0 0 69 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.927 113.1 46.2 -63.2 -38.3 0.9 8.2 35.3 248 250 A Q H X S+ 0 0 88 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.823 109.4 55.9 -70.9 -33.8 -0.0 10.7 38.1 249 251 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.942 106.2 49.1 -59.8 -50.5 3.0 12.7 37.1 250 252 A I H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.904 111.2 53.0 -54.9 -42.5 1.7 12.9 33.6 251 253 A A H < S+ 0 0 20 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.842 108.1 47.2 -62.6 -39.1 -1.6 14.0 35.1 252 254 A L H >< S+ 0 0 24 -4,-2.0 3,-0.8 1,-0.2 15,-0.3 0.803 108.8 56.5 -74.3 -28.5 -0.1 16.8 37.2 253 255 A A H 3< S+ 0 0 0 -4,-2.0 14,-0.9 1,-0.2 16,-0.4 0.779 110.5 43.2 -74.3 -24.5 1.8 18.0 34.2 254 256 A Q T 3< S+ 0 0 5 -4,-1.1 52,-0.4 12,-0.2 -1,-0.2 0.198 91.8 110.4-106.4 14.9 -1.5 18.4 32.2 255 257 A S S < S- 0 0 9 -3,-0.8 2,-0.7 50,-0.2 12,-0.1 -0.581 73.8-117.4 -80.4 150.9 -3.3 19.9 35.1 256 258 A R E +C 303 0A 14 47,-2.3 47,-1.2 -2,-0.2 10,-0.2 -0.828 40.7 161.8 -98.8 115.1 -4.3 23.6 34.8 257 259 A Y E + 0 0 7 8,-2.8 42,-2.4 -2,-0.7 2,-0.4 0.726 66.5 25.6 -98.4 -27.5 -2.7 25.9 37.4 258 260 A W E -CD 298 265A 3 7,-1.0 7,-2.0 40,-0.2 2,-0.6 -0.994 61.5-144.1-147.5 130.9 -3.1 29.2 35.8 259 261 A R E +CD 297 264A 123 38,-2.4 38,-1.2 -2,-0.4 2,-0.4 -0.897 19.0 175.4 -99.2 117.5 -5.4 30.9 33.2 260 262 A I E > - D 0 263A 19 3,-3.4 3,-1.2 -2,-0.6 2,-0.8 -0.745 62.8 -69.8-120.5 77.1 -3.7 33.3 30.9 261 263 A G T 3 S- 0 0 65 -2,-0.4 35,-0.0 1,-0.3 -2,-0.0 -0.676 117.9 -7.8 80.0-108.0 -6.4 34.4 28.4 262 264 A S T 3 S+ 0 0 69 -2,-0.8 11,-0.7 18,-0.1 2,-0.3 0.482 128.3 78.1 -96.1 -6.6 -7.2 31.5 26.1 263 265 A M E < -DE 260 272A 23 -3,-1.2 -3,-3.4 9,-0.2 2,-0.4 -0.748 59.6-160.1-112.2 151.3 -4.3 29.5 27.5 264 266 A Y E -DE 259 271A 43 7,-2.3 7,-1.4 -2,-0.3 -5,-0.2 -0.985 19.9-134.1-131.3 115.8 -3.8 27.5 30.7 265 267 A Q E +DE 258 270A 0 -7,-2.0 -8,-2.8 -2,-0.4 -7,-1.0 -0.464 26.6 170.8 -80.3 142.9 -0.4 26.7 32.1 266 268 A G - 0 0 0 3,-1.9 2,-0.9 -10,-0.2 -12,-0.2 -0.375 56.1 -59.3-119.4-158.9 0.6 23.2 33.3 267 269 A L S S- 0 0 1 -14,-0.9 2,-1.7 -15,-0.3 -198,-0.1 -0.841 114.4 -34.2 -90.7 102.4 4.0 21.8 34.3 268 270 A G S S+ 0 0 0 -2,-0.9 -202,-0.2 -160,-0.5 -203,-0.1 -0.402 127.9 86.5 82.5 -59.6 6.0 22.2 31.0 269 271 A W - 0 0 0 -2,-1.7 -3,-1.9 -16,-0.4 2,-0.3 -0.289 64.9-152.0 -67.9 154.5 2.9 21.6 28.8 270 272 A E E -EF 265 312A 30 42,-1.6 42,-1.9 -5,-0.2 2,-0.3 -0.927 11.9-161.2-126.2 157.9 0.5 24.3 27.9 271 273 A M E -EF 264 311A 1 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.3 -0.940 16.1-174.4-139.9 156.3 -3.2 24.0 27.1 272 274 A L E -EF 263 310A 7 38,-0.7 38,-1.6 -2,-0.3 2,-0.2 -0.959 41.4 -96.9-139.0 153.7 -6.2 25.7 25.4 273 275 A N E - F 0 309A 69 -11,-0.7 36,-0.2 -2,-0.3 35,-0.0 -0.600 52.8 -93.6 -77.6 144.3 -9.8 24.5 25.4 274 276 A W S S+ 0 0 37 34,-2.4 2,-0.1 -2,-0.2 -1,-0.0 -0.850 104.5 48.2 -97.2 129.4 -10.9 22.6 22.3 275 277 A P S S+ 0 0 109 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.304 75.3 165.9 -87.5 154.8 -12.2 23.7 20.0 276 278 A V - 0 0 14 -2,-0.1 -2,-0.1 -4,-0.1 -4,-0.0 -0.984 36.5-116.8-136.2 127.3 -9.9 26.6 19.3 277 279 A E > - 0 0 144 -2,-0.4 4,-1.2 1,-0.1 5,-0.2 -0.162 29.4-117.2 -56.3 154.1 -9.6 28.6 16.1 278 280 A A H > S+ 0 0 31 1,-0.2 4,-3.3 2,-0.2 3,-0.4 0.962 107.6 50.5 -58.6 -54.5 -6.4 28.4 14.3 279 281 A N H > S+ 0 0 89 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.773 102.2 59.9 -67.4 -23.4 -5.2 32.0 14.6 280 282 A T H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.954 115.5 35.9 -67.3 -45.1 -5.7 32.3 18.3 281 283 A V H X S+ 0 0 2 -4,-1.2 4,-1.1 -3,-0.4 -2,-0.2 0.889 119.8 50.8 -67.4 -41.7 -3.2 29.4 18.8 282 284 A V H >X S+ 0 0 12 -4,-3.3 3,-0.8 2,-0.2 4,-0.5 0.966 115.3 39.9 -65.4 -48.1 -1.1 30.6 15.9 283 285 A E H >< S+ 0 0 107 -4,-3.6 3,-1.3 1,-0.3 6,-0.3 0.873 110.4 60.2 -70.0 -30.2 -0.9 34.3 17.1 284 286 A G H 3< S+ 0 0 40 -4,-1.6 6,-0.3 -5,-0.4 -1,-0.3 0.774 99.5 58.7 -62.0 -25.0 -0.5 33.0 20.6 285 287 A S H << S+ 0 0 10 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.648 81.8 110.1 -79.0 -16.6 2.6 31.2 19.3 286 288 A D S XX S- 0 0 61 -3,-1.3 4,-2.7 -4,-0.5 3,-2.1 -0.348 77.7-127.7 -62.7 140.4 4.1 34.6 18.2 287 289 A S H 3> S+ 0 0 58 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.732 105.5 76.6 -59.1 -23.1 7.1 35.6 20.3 288 290 A K H 34 S+ 0 0 175 2,-0.1 -1,-0.3 1,-0.1 -4,-0.1 0.786 117.3 15.1 -56.3 -31.3 5.3 38.9 20.8 289 291 A V H X4 S+ 0 0 53 -3,-2.1 3,-3.0 -6,-0.3 -2,-0.2 0.788 119.7 65.0-105.0 -59.0 3.1 37.0 23.3 290 292 A A H 3< S+ 0 0 29 -4,-2.7 -142,-0.4 -6,-0.3 -3,-0.2 0.724 113.5 34.0 -38.0 -41.2 5.1 33.8 24.0 291 293 A L T 3< S+ 0 0 78 -4,-1.6 -1,-0.3 -5,-0.2 -174,-0.1 0.161 99.5 103.8-108.7 15.3 8.0 35.7 25.6 292 294 A A S < S- 0 0 27 -3,-3.0 2,-0.4 -145,-0.0 -144,-0.2 -0.844 74.6-116.3-109.6 133.0 6.0 38.5 27.2 293 295 A P + 0 0 60 0, 0.0 -146,-0.2 0, 0.0 -2,-0.1 -0.510 40.3 177.4 -68.4 120.8 5.0 38.8 30.8 294 296 A L E -N 146 0F 64 -148,-2.0 -148,-1.9 -2,-0.4 -150,-0.0 -0.851 31.4-105.4-121.6 157.5 1.2 38.6 31.2 295 297 A P E -N 145 0F 94 0, 0.0 2,-0.3 0, 0.0 -150,-0.2 -0.245 39.6-138.9 -78.5 175.4 -0.9 38.6 34.3 296 298 A V - 0 0 23 -152,-0.6 2,-0.5 -153,-0.1 -36,-0.2 -0.919 13.8-146.1-139.9 159.3 -2.5 35.4 35.6 297 299 A V E -C 259 0A 83 -38,-1.2 -38,-2.4 -2,-0.3 -153,-0.1 -0.875 31.3-124.8-130.7 104.3 -5.6 33.9 37.1 298 300 A E E -C 258 0A 80 -2,-0.5 2,-0.8 -155,-0.2 -40,-0.2 -0.067 5.6-146.7 -46.3 133.8 -5.2 31.1 39.5 299 301 A V E - 0 0 33 -42,-2.4 -1,-0.1 4,-0.0 -2,-0.0 -0.933 31.9-147.7 -98.6 101.3 -7.0 27.8 39.0 300 302 A N E S+ 0 0 120 -2,-0.8 -43,-0.1 1,-0.3 -42,-0.0 -0.958 82.6 17.9-130.8 115.7 -7.6 26.9 42.6 301 303 A P E S- 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -44,-0.0 0.583 111.4-110.3 -71.4 153.4 -7.6 24.0 43.3 302 304 A P E - 0 0 55 0, 0.0 -45,-0.2 0, 0.0 -2,-0.1 -0.221 32.6-123.9 -50.7 129.7 -5.8 23.1 40.0 303 305 A A E -C 256 0A 39 -47,-1.2 -47,-2.3 1,-0.1 3,-0.1 -0.598 22.7-116.4 -81.7 142.0 -8.1 21.2 37.7 304 306 A P - 0 0 94 0, 0.0 -48,-0.1 0, 0.0 -49,-0.1 -0.220 56.0 -60.7 -66.5 162.7 -7.0 17.8 36.5 305 307 A P - 0 0 33 0, 0.0 2,-0.6 0, 0.0 -50,-0.2 -0.083 48.1-144.9 -51.5 137.3 -6.3 17.4 32.8 306 308 A V - 0 0 43 -52,-0.4 23,-0.1 1,-0.2 -3,-0.0 -0.923 5.2-148.5-111.4 117.9 -9.3 17.9 30.5 307 309 A K S S+ 0 0 74 -2,-0.6 2,-2.9 1,-0.3 22,-1.9 0.825 91.2 76.8 -46.2 -40.7 -9.4 15.6 27.4 308 310 A A S S+ 0 0 35 20,-0.2 -34,-2.4 21,-0.1 2,-0.4 -0.228 80.1 110.5 -69.4 53.7 -11.1 18.5 25.5 309 311 A S E -F 273 0A 1 -2,-2.9 2,-0.9 -36,-0.2 20,-0.3 -0.986 67.5-138.5-133.4 147.0 -7.8 20.3 25.1 310 312 A W E -F 272 0A 1 -38,-1.6 -38,-0.7 -2,-0.4 2,-0.5 -0.881 36.9-173.6 -83.7 97.0 -5.3 21.3 22.5 311 313 A V E +FG 271 326A 0 15,-2.7 15,-1.8 -2,-0.9 2,-0.3 -0.841 15.8 144.0-101.8 137.7 -2.1 20.6 24.5 312 314 A H E -FG 270 325A 14 -42,-1.9 -42,-1.6 -2,-0.5 2,-0.2 -0.910 31.9-155.4-154.1 178.4 1.2 21.5 22.9 313 315 A K E - G 0 324A 5 11,-1.8 11,-1.6 -2,-0.3 2,-0.2 -0.794 7.6-156.5-169.6 128.3 4.7 22.8 23.2 314 316 A T E + G 0 323A 30 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.565 21.3 168.8 -95.5 161.1 7.1 24.6 20.9 315 317 A G E + G 0 322A 2 7,-1.9 7,-2.0 -2,-0.2 2,-0.3 -0.823 6.8 171.3-176.6 140.6 10.9 24.5 21.3 316 318 A S E - G 0 321A 33 -2,-0.3 -254,-0.5 5,-0.2 2,-0.2 -0.935 14.4-164.0-149.1 170.2 14.2 25.3 19.6 317 319 A T - 0 0 18 3,-1.4 3,-0.3 -2,-0.3 24,-0.1 -0.620 58.3 -65.9-131.9-173.0 17.9 25.7 19.7 318 320 A G S S+ 0 0 35 1,-0.2 23,-0.4 -2,-0.2 -110,-0.1 0.938 131.0 11.8 -45.6 -65.3 20.4 27.4 17.4 319 321 A G S S+ 0 0 1 21,-0.1 -118,-1.2 -112,-0.1 2,-0.3 0.194 116.5 78.8-105.3 13.9 19.9 25.1 14.5 320 322 A F - 0 0 0 -3,-0.3 -3,-1.4 20,-0.2 2,-0.3 -0.925 45.6-176.0-130.5 152.8 16.8 23.2 15.4 321 323 A G E +G 316 0A 0 17,-2.9 17,-0.5 -2,-0.3 2,-0.3 -0.919 15.6 160.3-149.2 118.1 13.1 23.8 15.4 322 324 A S E -G 315 0A 0 -7,-2.0 -7,-1.9 -2,-0.3 2,-0.3 -0.863 13.1-177.3-138.4 167.4 10.4 21.4 16.7 323 325 A Y E -GH 314 336A 1 13,-1.1 13,-1.9 -2,-0.3 2,-0.3 -0.955 4.0-168.1-164.7 140.2 6.8 21.4 17.8 324 326 A V E +GH 313 335A 0 -11,-1.6 -11,-1.8 -2,-0.3 2,-0.3 -0.993 10.0 174.4-139.4 147.5 4.4 18.8 19.2 325 327 A A E +GH 312 334A 0 9,-2.5 9,-2.3 -2,-0.3 2,-0.3 -0.979 3.0 175.6-149.7 157.5 0.6 18.8 19.7 326 328 A F E -GH 311 333A 0 -15,-1.8 -15,-2.7 -2,-0.3 7,-0.2 -0.967 24.6-150.7-162.4 161.8 -2.3 16.6 20.8 327 329 A I E >>> - H 0 332A 0 5,-1.6 3,-1.4 -2,-0.3 4,-1.2 -0.902 14.2-165.6-135.6 92.6 -6.0 16.5 21.5 328 330 A P T 345S+ 0 0 3 0, 0.0 3,-0.2 0, 0.0 -20,-0.2 0.827 88.0 54.9 -57.3 -36.8 -6.6 13.7 24.1 329 331 A E T 345S+ 0 0 133 -22,-1.9 -21,-0.1 -20,-0.3 -22,-0.1 0.720 114.7 40.6 -69.6 -24.4 -10.4 13.6 23.5 330 332 A K T <45S- 0 0 73 -3,-1.4 -1,-0.2 -23,-0.3 3,-0.1 0.498 99.9-136.7 -99.1 -12.9 -9.8 13.1 19.8 331 333 A Q T <5 + 0 0 73 -4,-1.2 -297,-0.5 1,-0.2 2,-0.3 0.841 62.6 126.7 54.9 35.6 -6.9 10.7 20.3 332 334 A I E < + H 0 327A 8 -5,-1.1 -5,-1.6 -300,-0.1 2,-0.3 -0.940 30.0 159.6-123.8 143.2 -5.0 12.4 17.5 333 335 A G E -BH 31 326A 0 -302,-3.1 -302,-3.6 -2,-0.3 2,-0.3 -0.973 19.8-153.1-157.5 170.2 -1.5 13.9 17.6 334 336 A I E -BH 30 325A 0 -9,-2.3 -9,-2.5 -2,-0.3 2,-0.4 -0.986 3.8-162.8-157.5 144.7 1.6 15.1 15.7 335 337 A V E -BH 29 324A 0 -306,-2.4 -306,-2.0 -2,-0.3 2,-0.3 -0.968 7.5-175.4-122.3 134.3 5.3 15.6 16.0 336 338 A M E +BH 28 323A 0 -13,-1.9 -13,-1.1 -2,-0.4 2,-0.4 -0.871 6.1 178.4-138.8 98.7 7.4 17.8 13.7 337 339 A L E +B 27 0A 0 -310,-3.0 -310,-2.1 -2,-0.3 2,-0.3 -0.809 7.6 170.7-101.8 142.5 11.2 17.8 14.2 338 340 A A E -B 26 0A 0 -17,-0.5 -17,-2.9 -2,-0.4 2,-0.4 -0.995 39.2-131.7-152.1 146.8 13.5 19.9 12.0 339 341 A N S S+ 0 0 0 -314,-1.4 -138,-0.8 -2,-0.3 2,-0.3 -0.275 88.5 68.0 -97.6 48.7 17.1 20.9 11.8 340 342 A T S S- 0 0 16 -2,-0.4 2,-1.0 -19,-0.2 -20,-0.2 -0.831 81.2-126.6-159.3 126.9 16.4 24.6 11.2 341 343 A S + 0 0 46 -140,-0.5 -20,-0.1 -23,-0.4 -25,-0.1 -0.669 43.8 169.1 -76.6 105.2 14.8 27.0 13.6 342 344 A Y - 0 0 6 -2,-1.0 5,-0.2 1,-0.1 -2,-0.1 -0.830 46.0 -55.4-116.8 153.8 12.0 28.5 11.6 343 345 A P >> - 0 0 64 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.124 42.6-139.5 -35.1 121.2 9.0 30.7 12.7 344 346 A N H 3> S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.880 102.3 51.7 -50.5 -47.4 7.0 29.2 15.6 345 347 A P H 3> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.831 104.0 59.3 -69.4 -23.4 3.6 30.3 14.2 346 348 A A H <> S+ 0 0 20 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.928 104.4 53.3 -60.2 -44.4 4.6 28.6 10.9 347 349 A R H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.927 112.6 39.0 -54.0 -55.3 4.9 25.5 13.0 348 350 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.814 108.9 65.0 -75.4 -25.4 1.4 25.6 14.5 349 351 A E H X S+ 0 0 109 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.977 110.8 36.5 -49.3 -60.1 0.1 26.8 11.2 350 352 A A H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.912 115.7 51.7 -58.2 -53.4 1.1 23.4 9.7 351 353 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.919 108.8 51.5 -62.3 -40.3 0.3 21.2 12.7 352 354 A Y H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.983 111.6 46.0 -58.0 -58.3 -3.2 22.6 13.0 353 355 A H H X S+ 0 0 92 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.918 112.8 50.2 -48.6 -50.4 -4.1 22.0 9.3 354 356 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 113.5 46.5 -58.9 -40.4 -2.7 18.5 9.4 355 357 A L H >< S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 0.891 106.9 56.2 -69.9 -39.6 -4.7 17.7 12.5 356 358 A E H >< S+ 0 0 82 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.782 94.3 68.4 -67.3 -22.8 -7.9 19.2 11.2 357 359 A A T 3< S+ 0 0 45 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.612 99.5 52.6 -68.9 -7.9 -7.7 16.9 8.1 358 360 A L T < 0 0 26 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.435 360.0 360.0-106.0 -3.5 -8.4 14.0 10.5 359 361 A Q < 0 0 129 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.1 0.600 360.0 360.0 -92.1 360.0 -11.5 15.4 12.2