==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-02 1MXO . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.MORANDI,E.CASELLI,S.MORANDI,P.J.FOCIA,J.BLAZQUEZ, . 716 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 10 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 . 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 . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.7 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 4 4 0 1 3 0 4 2 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 8 6 2 0 3 3 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 . 5 3 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 A A 0 0 90 0, 0.0 35,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 157.6 23.7 -20.4 35.0 2 5 A P >> - 0 0 54 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.273 360.0-125.2 -54.1 138.3 24.6 -19.4 38.6 3 6 A Q H 3> S+ 0 0 146 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.863 108.2 61.4 -57.7 -33.4 21.4 -18.2 40.3 4 7 A Q H 3> S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.920 107.9 42.6 -59.5 -44.1 23.1 -14.9 41.2 5 8 A I H <> S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.953 114.0 51.7 -67.3 -48.1 23.7 -14.1 37.6 6 9 A N H X S+ 0 0 59 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.939 112.4 46.2 -52.0 -52.0 20.2 -15.2 36.6 7 10 A D H X S+ 0 0 42 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.943 114.1 43.6 -61.3 -52.8 18.6 -13.1 39.2 8 11 A I H X S+ 0 0 32 -4,-2.2 4,-1.6 -5,-0.2 5,-0.3 0.950 116.5 49.3 -61.5 -44.1 20.4 -9.8 38.7 9 12 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 3,-0.4 0.969 117.2 39.1 -57.6 -54.6 20.1 -10.2 34.9 10 13 A H H X S+ 0 0 65 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.909 113.8 53.7 -63.9 -41.9 16.3 -10.9 35.0 11 14 A R H < S+ 0 0 179 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.776 119.1 36.6 -63.2 -26.3 15.5 -8.4 37.8 12 15 A T H X S+ 0 0 24 -4,-1.6 4,-1.3 -3,-0.4 -2,-0.2 0.890 120.0 42.6 -91.4 -48.2 17.3 -5.7 35.7 13 16 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 0.859 104.8 62.2 -72.1 -37.4 16.4 -6.5 32.1 14 17 A T H X S+ 0 0 51 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.942 108.4 41.7 -56.3 -50.2 12.7 -7.4 32.6 15 18 A P H > S+ 0 0 44 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.882 112.1 57.4 -65.0 -35.7 11.8 -3.9 33.9 16 19 A L H X S+ 0 0 7 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.934 106.2 47.6 -58.3 -49.1 14.0 -2.3 31.2 17 20 A I H X>S+ 0 0 29 -4,-2.5 5,-1.5 2,-0.2 4,-1.1 0.879 115.4 46.5 -61.4 -38.8 12.1 -4.1 28.3 18 21 A E H <5S+ 0 0 134 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.949 114.7 45.5 -69.0 -49.9 8.8 -3.0 29.8 19 22 A Q H <5S+ 0 0 138 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.904 123.5 35.0 -60.7 -42.5 9.8 0.6 30.4 20 23 A Q H <5S- 0 0 44 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.525 100.6-129.8 -92.1 -6.4 11.4 1.0 27.0 21 24 A K T <5 - 0 0 159 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.929 37.8-178.5 55.8 47.8 8.9 -1.2 25.1 22 25 A I < - 0 0 7 -5,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.672 22.0-149.5 -79.4 124.6 11.8 -3.2 23.5 23 26 A P S S- 0 0 29 0, 0.0 19,-1.9 0, 0.0 2,-0.3 0.926 73.8 -5.7 -61.8 -46.6 10.5 -5.8 21.1 24 27 A G E -A 41 0A 1 17,-0.3 314,-1.6 19,-0.1 2,-0.3 -0.989 65.0-178.7-148.5 155.2 13.3 -8.3 21.6 25 28 A M E -AB 40 337A 0 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.997 12.0-161.4-157.7 150.3 16.6 -8.5 23.4 26 29 A A E -AB 39 336A 0 310,-2.4 310,-2.9 -2,-0.3 2,-0.4 -0.986 13.0-172.5-132.6 141.6 19.6 -10.7 24.0 27 30 A V E -AB 38 335A 0 11,-2.8 11,-2.1 -2,-0.4 2,-0.4 -0.994 7.5-169.3-136.2 142.3 22.1 -10.4 26.8 28 31 A A E -AB 37 334A 0 306,-2.0 306,-2.0 -2,-0.4 2,-0.5 -0.997 5.6-162.6-129.3 134.5 25.3 -12.2 27.6 29 32 A V E -AB 36 333A 0 7,-2.3 7,-1.7 -2,-0.4 2,-0.7 -0.980 8.2-152.2-116.2 129.4 27.2 -11.8 30.8 30 33 A I E +AB 35 332A 0 302,-2.7 302,-2.2 -2,-0.5 2,-0.5 -0.923 21.0 179.3-100.8 117.4 30.8 -12.9 30.9 31 34 A Y E > -A 34 0A 51 3,-2.9 3,-2.3 -2,-0.7 300,-0.2 -0.983 68.2 -17.4-126.5 122.9 31.6 -14.0 34.5 32 35 A Q T 3 S- 0 0 120 297,-0.5 -1,-0.2 -2,-0.5 299,-0.2 0.893 130.3 -53.3 49.3 41.0 35.0 -15.3 35.4 33 36 A G T 3 S+ 0 0 32 297,-1.8 -1,-0.3 1,-0.2 298,-0.1 0.344 116.7 109.1 82.2 -8.2 35.6 -15.8 31.7 34 37 A K E < -A 31 0A 133 -3,-2.3 -3,-2.9 296,-0.2 2,-0.3 -0.834 62.4-129.8-105.3 140.4 32.5 -17.9 31.0 35 38 A P E -A 30 0A 41 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.639 17.5-170.0 -91.0 146.0 29.5 -16.6 29.0 36 39 A Y E -A 29 0A 45 -7,-1.7 -7,-2.3 -2,-0.3 2,-0.3 -0.997 14.4-148.8-133.2 127.5 25.9 -16.9 30.1 37 40 A Y E +A 28 0A 57 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.709 17.5 175.3-106.1 151.6 23.1 -16.1 27.7 38 41 A F E -A 27 0A 17 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.3 -0.992 5.8-174.8-146.7 141.3 19.6 -14.7 28.1 39 42 A T E -A 26 0A 53 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.987 2.4-176.8-142.1 153.8 16.9 -13.8 25.5 40 43 A W E -A 25 0A 38 -15,-2.7 -15,-2.3 -2,-0.3 11,-0.1 -0.988 43.0 -16.0-145.2 152.4 13.5 -12.1 25.5 41 44 A G E S-A 24 0A 37 -2,-0.3 10,-2.5 -17,-0.2 2,-0.3 -0.039 86.8 -18.7 63.8-154.4 10.8 -11.3 23.0 42 45 A Y E -I 50 0B 108 -19,-1.9 3,-0.2 8,-0.3 296,-0.2 -0.779 18.7-173.2-109.2 138.7 10.7 -11.1 19.3 43 46 A A E S+ 0 0 8 6,-2.8 155,-3.2 -2,-0.3 2,-0.3 0.719 101.2 20.9 -87.8 -30.3 13.2 -10.8 16.5 44 47 A D E > -I 49 0B 18 5,-1.7 5,-1.6 153,-0.2 4,-0.3 -0.896 68.4-170.1-143.7 106.3 10.2 -10.4 14.1 45 48 A I T > 5S+ 0 0 87 -2,-0.3 3,-1.4 -3,-0.2 -1,-0.1 0.958 87.1 48.8 -62.1 -54.3 6.9 -9.3 15.6 46 49 A A T 3 5S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.878 118.8 39.2 -56.1 -43.1 4.8 -9.9 12.5 47 50 A K T 3 5S- 0 0 144 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.346 105.2-126.7 -92.1 8.2 6.2 -13.4 11.9 48 51 A K T < 5 + 0 0 156 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.747 50.1 160.2 55.1 29.6 6.3 -14.3 15.6 49 52 A Q E < -I 44 0B 98 -5,-1.6 -6,-2.8 1,-0.0 -5,-1.7 -0.712 32.3-137.1 -85.0 124.6 10.0 -15.3 15.5 50 53 A P E -I 42 0B 73 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.349 20.6-103.3 -78.3 160.4 11.6 -15.2 19.0 51 54 A V + 0 0 5 -10,-2.5 2,-0.2 -26,-0.1 -12,-0.1 -0.689 49.5 175.8 -79.8 134.9 15.0 -13.8 19.8 52 55 A T > - 0 0 44 -2,-0.4 3,-1.4 143,-0.2 172,-0.3 -0.752 49.7 -93.4-128.9 179.0 17.4 -16.8 20.2 53 56 A Q T 3 S+ 0 0 67 1,-0.3 172,-1.1 -2,-0.2 171,-0.2 0.605 127.3 53.6 -72.1 -9.0 21.2 -17.0 20.8 54 57 A Q T 3 S+ 0 0 97 169,-0.1 -1,-0.3 170,-0.1 2,-0.2 0.333 80.3 120.3-104.1 1.2 21.6 -17.2 17.0 55 58 A T < - 0 0 4 -3,-1.4 169,-0.5 141,-0.1 2,-0.4 -0.500 59.8-134.4 -71.2 133.7 19.6 -14.1 16.2 56 59 A L B -j 196 0C 2 139,-3.3 141,-2.3 -2,-0.2 2,-0.3 -0.771 23.2-172.6 -90.8 133.7 21.5 -11.4 14.3 57 60 A F E -K 222 0D 2 165,-2.6 165,-2.2 -2,-0.4 2,-0.5 -0.924 31.7-109.1-122.0 150.1 21.3 -7.8 15.6 58 61 A E E -K 221 0D 4 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.696 25.5-160.9 -78.3 122.8 22.6 -4.6 14.0 59 62 A L > - 0 0 0 161,-2.9 3,-1.8 -2,-0.5 262,-0.3 0.709 17.4-174.3 -76.4 -22.4 25.5 -3.5 16.2 60 63 A G G > S+ 0 0 0 160,-0.6 3,-2.5 158,-0.5 160,-0.4 -0.369 70.5 0.5 60.2-137.3 25.4 0.0 14.9 61 64 A S G > S+ 0 0 15 254,-0.4 3,-1.6 1,-0.3 4,-0.3 0.574 115.7 80.5 -62.6 -10.8 28.4 2.0 16.3 62 65 A V G X> S+ 0 0 0 -3,-1.8 3,-1.9 1,-0.3 4,-0.7 0.779 80.2 75.6 -64.3 -17.2 29.6 -1.0 18.4 63 66 A S H X> S+ 0 0 0 -3,-2.5 4,-2.1 1,-0.3 3,-1.0 0.839 78.0 71.4 -59.1 -31.4 31.1 -1.8 14.9 64 67 A K H <> S+ 0 0 0 -3,-1.6 4,-2.3 153,-0.5 -1,-0.3 0.736 89.1 61.0 -58.6 -24.3 33.7 0.9 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.9 4,-2.0 -4,-0.3 -1,-0.3 0.862 105.5 46.5 -71.2 -34.8 35.3 -1.4 18.1 66 69 A F H S+ 0 0 2 -4,-1.8 5,-2.2 2,-0.2 6,-0.9 0.870 109.8 49.4 -65.5 -38.2 47.3 -3.3 10.7 75 78 A I H ><5S+ 0 0 10 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.955 110.0 50.8 -63.1 -49.6 49.6 -1.2 12.9 76 79 A A H 3<5S+ 0 0 21 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.823 106.4 55.3 -58.8 -33.7 51.0 -4.4 14.5 77 80 A R T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.471 115.2-117.9 -78.3 -1.5 51.6 -5.8 11.1 78 81 A G T < 5S+ 0 0 64 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.659 82.6 121.0 73.3 15.0 53.7 -2.8 10.2 79 82 A E S - 0 0 64 -2,-0.3 3,-1.9 4,-0.1 22,-0.3 -0.995 20.2-132.7-134.5 140.5 51.3 3.9 11.7 82 85 A L T 3 S+ 0 0 9 -2,-0.4 22,-2.3 1,-0.3 23,-0.3 0.740 109.6 59.8 -62.6 -21.6 48.9 6.1 13.6 83 86 A S T 3 S+ 0 0 28 576,-0.3 -1,-0.3 20,-0.2 575,-0.1 0.529 81.5 113.9 -83.6 -5.9 51.5 8.9 13.1 84 87 A D S < S- 0 0 6 -3,-1.9 19,-2.0 1,-0.1 20,-0.3 -0.359 74.5-111.5 -66.7 144.1 51.2 8.7 9.3 85 88 A P B > -M 102 0E 58 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.451 21.0-122.6 -72.2 149.5 49.7 11.7 7.5 86 89 A T G >> S+ 0 0 0 15,-2.6 4,-1.9 12,-0.3 3,-1.5 0.871 111.5 63.7 -60.3 -33.5 46.2 11.0 5.9 87 90 A T G 34 S+ 0 0 51 14,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.647 83.2 75.0 -67.5 -14.4 47.7 12.1 2.6 88 91 A K G <4 S+ 0 0 117 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.850 111.9 27.2 -65.5 -30.0 50.1 9.1 2.7 89 92 A Y T <4 S+ 0 0 29 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.776 133.7 33.8-100.2 -34.4 47.1 6.9 1.8 90 93 A W >< + 0 0 31 -4,-1.9 3,-2.3 1,-0.1 -1,-0.2 -0.738 63.9 171.0-123.5 77.5 44.9 9.4 -0.1 91 94 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.707 73.9 73.6 -59.0 -21.1 47.5 11.7 -1.9 92 95 A E T 3 + 0 0 106 1,-0.2 2,-2.4 -3,-0.1 3,-0.2 0.607 67.7 93.9 -70.0 -15.3 44.4 13.2 -3.6 93 96 A L < + 0 0 3 -3,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.550 48.1 150.7 -78.4 79.2 43.5 15.0 -0.4 94 97 A T + 0 0 108 -2,-2.4 -1,-0.2 4,-0.0 5,-0.1 0.612 23.1 116.5 -89.0 -15.4 45.4 18.1 -1.6 95 98 A A S > S- 0 0 22 -3,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.358 73.7-122.4 -58.0 131.3 43.3 20.7 0.2 96 99 A K G > S+ 0 0 185 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.678 103.8 72.5 -48.8 -29.7 45.5 22.5 2.7 97 100 A Q G 3 S+ 0 0 28 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.708 89.1 64.1 -63.4 -17.2 43.3 21.7 5.7 98 101 A W G X S+ 0 0 3 -3,-2.5 3,-2.4 2,-0.1 -12,-0.3 0.690 73.7 108.9 -80.4 -15.7 44.5 18.1 5.5 99 102 A N T < S+ 0 0 146 -3,-1.5 3,-0.1 -4,-0.3 -5,-0.0 -0.410 89.0 15.0 -61.2 123.7 48.1 19.1 6.2 100 103 A G T 3 S+ 0 0 44 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.422 91.8 124.2 92.1 -4.6 48.8 17.8 9.7 101 104 A I < - 0 0 0 -3,-2.4 -15,-2.6 4,-0.0 -14,-0.3 -0.839 41.5-172.8 -94.9 117.7 45.8 15.5 10.0 102 105 A T B > -M 85 0E 22 -2,-0.7 4,-1.8 -17,-0.3 5,-0.1 -0.510 41.0-100.3-104.4 173.8 47.1 12.0 10.8 103 106 A L H > S+ 0 0 0 -19,-2.0 4,-2.7 -22,-0.3 5,-0.2 0.841 122.4 59.9 -61.3 -33.4 45.5 8.5 11.1 104 107 A L H > S+ 0 0 5 -22,-2.3 4,-2.0 -20,-0.3 6,-0.3 0.947 103.4 50.0 -60.2 -47.7 45.5 9.0 14.8 105 108 A H H 4>S+ 0 0 21 -23,-0.3 5,-2.0 1,-0.2 6,-0.7 0.916 112.7 47.3 -56.5 -44.6 43.3 12.1 14.5 106 109 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.938 111.8 49.3 -63.6 -47.2 40.8 10.2 12.2 107 110 A A H 3<5S+ 0 0 0 -4,-2.7 160,-0.5 1,-0.2 -1,-0.2 0.812 117.8 39.6 -62.9 -30.6 40.6 7.2 14.5 108 111 A T T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.205 108.4-113.0-108.2 13.6 40.0 9.2 17.6 109 112 A Y T < 5S+ 0 0 3 -3,-1.0 37,-2.3 -4,-0.4 4,-0.2 0.760 85.2 114.9 64.7 26.2 37.6 11.9 16.3 110 113 A T < + 0 0 0 -5,-2.0 32,-3.3 -6,-0.3 33,-0.4 0.088 30.0 110.0-114.2 21.4 40.2 14.7 16.9 111 114 A A S S- 0 0 1 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.708 101.7 -81.6 -69.7 -20.0 40.9 15.8 13.3 112 115 A G S S- 0 0 0 32,-0.4 26,-2.5 -3,-0.2 27,-1.4 0.629 89.1 -35.9 126.0 26.4 39.2 19.1 13.8 113 116 A G + 0 0 15 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.761 66.5 176.9 104.1 26.1 35.4 18.7 13.5 114 117 A L - 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0 0 19 -3,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.177 67.5-122.0 -51.4 137.7 61.3 24.1 41.1 455 99 B K G > S+ 0 0 174 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.738 103.4 71.2 -55.9 -31.3 59.3 25.6 38.3 456 100 B Q G 3 S+ 0 0 28 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.605 90.1 64.5 -65.9 -9.0 61.5 24.5 35.4 457 101 B W G X S+ 0 0 1 -3,-1.8 3,-2.4 2,-0.1 -12,-0.3 0.598 70.9 113.4 -89.6 -9.9 60.3 20.9 36.0 458 102 B N T < S+ 0 0 116 -3,-1.8 3,-0.1 1,-0.3 -5,-0.0 -0.416 87.1 16.0 -62.5 128.0 56.7 21.7 35.0 459 103 B G T 3 S+ 0 0 49 1,-0.2 2,-0.8 -2,-0.2 -1,-0.3 0.497 90.8 123.6 89.0 -2.3 56.0 19.8 31.9 460 104 B I < - 0 0 0 -3,-2.4 -15,-2.8 40,-0.1 -14,-0.3 -0.879 44.7-170.4 -96.1 112.5 59.0 17.5 32.1 461 105 B T B > -C 444 0L 19 -2,-0.8 4,-1.8 -17,-0.3 5,-0.1 -0.429 39.5-103.2 -97.6 171.9 57.6 13.9 32.0 462 106 B L H > S+ 0 0 0 -19,-2.0 4,-2.5 -22,-0.3 5,-0.2 0.851 122.4 61.1 -63.9 -33.0 59.0 10.4 32.6 463 107 B L H > S+ 0 0 6 -22,-2.4 4,-1.9 -20,-0.3 6,-0.2 0.955 103.2 49.8 -57.0 -48.7 59.0 10.1 28.8 464 108 B H H 4>S+ 0 0 22 -23,-0.3 5,-2.1 1,-0.2 6,-0.7 0.908 112.3 46.9 -56.6 -46.1 61.5 13.0 28.6 465 109 B L H ><5S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 49,-0.2 0.924 112.6 49.4 -63.1 -43.7 63.8 11.6 31.2 466 110 B A H 3<5S+ 0 0 0 -4,-2.5 160,-0.5 1,-0.2 -1,-0.2 0.799 118.6 37.8 -65.8 -32.0 63.8 8.1 29.6 467 111 B T T 3<5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.209 109.7-113.0-107.8 14.9 64.6 9.4 26.1 468 112 B Y T < 5S+ 0 0 2 -3,-0.8 37,-2.3 -4,-0.5 4,-0.3 0.766 83.9 117.0 61.4 31.4 67.0 12.2 27.0 469 113 B T < + 0 0 0 -5,-2.1 32,-3.1 -6,-0.2 33,-0.5 0.148 29.6 110.7-115.3 21.1 64.6 14.9 25.8 470 114 B A S S- 0 0 0 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.686 100.3 -85.3 -69.0 -19.5 64.0 16.8 29.1 471 115 B G S S- 0 0 0 32,-0.4 26,-3.0 -3,-0.2 27,-1.3 0.695 88.5 -32.9 119.6 33.4 65.9 19.8 27.8 472 116 B G + 0 0 13 31,-0.3 23,-0.1 -4,-0.3 3,-0.1 0.768 65.9 175.4 101.8 23.8 69.6 19.3 28.4 473 117 B L - 0 0 4 1,-0.1 -1,-0.2 32,-0.1 37,-0.2 -0.416 49.5 -90.4 -57.6 140.6 70.1 17.3 31.6 474 118 B P - 0 0 39 0, 0.0 35,-1.3 0, 0.0 36,-0.2 -0.181 19.9-121.8 -63.0 146.2 73.9 16.7 31.7 475 119 B L S S+ 0 0 57 32,-0.2 33,-3.0 33,-0.2 2,-0.3 0.881 100.1 23.5 -47.6 -44.9 75.8 13.8 30.2 476 120 B Q S S- 0 0 115 32,-0.2 -1,-0.1 31,-0.2 3,-0.0 -0.908 80.8-119.5-126.8 154.2 77.1 13.0 33.6 477 121 B V - 0 0 18 -2,-0.3 94,-0.1 94,-0.2 10,-0.0 -0.753 54.3 -95.2 -84.0 134.3 76.0 13.7 37.2 478 122 B P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 93,-0.2 -0.219 30.9-122.0 -52.0 143.3 78.8 15.8 38.7 479 123 B D T 3 S+ 0 0 125 1,-0.3 92,-0.1 91,-0.1 -2,-0.0 0.791 109.2 62.0 -58.8 -29.0 81.2 13.5 40.7 480 124 B E T 3 S+ 0 0 144 2,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.780 81.2 96.9 -70.0 -24.8 80.7 15.4 43.9 481 125 B V < + 0 0 17 -3,-1.3 90,-0.6 1,-0.2 3,-0.1 -0.502 42.6 130.8 -68.6 123.3 76.9 14.5 43.9 482 126 B K + 0 0 144 -2,-0.3 90,-0.2 1,-0.2 -1,-0.2 0.476 43.6 60.2-133.6 -75.7 76.4 11.5 46.1 483 127 B S S > S- 0 0 55 1,-0.1 4,-2.0 88,-0.1 -1,-0.2 0.009 86.2-104.5 -59.6 167.5 73.7 11.4 48.8 484 128 B S H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.845 123.4 56.6 -62.1 -35.5 70.0 11.8 48.1 485 129 B S H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 106.7 48.0 -60.9 -48.3 70.3 15.4 49.4 486 130 B D H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.878 110.9 52.9 -59.0 -40.6 72.9 16.2 46.8 487 131 B L H X S+ 0 0 27 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.917 109.5 45.8 -64.7 -45.7 70.8 14.6 44.1 488 132 B L H X S+ 0 0 33 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.926 114.1 49.8 -62.8 -45.2 67.7 16.7 45.0 489 133 B R H X S+ 0 0 176 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.941 109.4 52.3 -58.2 -48.3 69.8 19.9 45.1 490 134 B F H X S+ 0 0 35 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.942 116.1 37.9 -54.8 -53.6 71.4 19.0 41.8 491 135 B Y H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.1 55.6 -70.1 -37.4 68.1 18.6 40.0 492 136 B Q H < S+ 0 0 46 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.829 114.7 41.8 -63.5 -28.9 66.3 21.5 41.8 493 137 B N H < S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.638 87.5 113.4 -91.3 -18.1 69.1 23.8 40.6 494 138 B W < - 0 0 25 -4,-1.1 -38,-0.1 -5,-0.2 -21,-0.1 -0.305 52.3-156.5 -58.2 135.2 69.4 22.5 37.1 495 139 B Q - 0 0 130 -23,-0.1 -2,-0.1 -39,-0.0 -1,-0.0 -0.976 21.0-113.6-119.2 126.4 68.4 25.0 34.4 496 140 B P - 0 0 49 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.223 10.8-156.5 -58.1 139.3 67.2 23.7 30.9 497 141 B A S S+ 0 0 61 -26,-3.0 2,-0.3 1,-0.2 -25,-0.2 0.744 84.2 6.5 -84.4 -27.1 69.2 24.4 27.7 498 142 B W S S- 0 0 91 -27,-1.3 -1,-0.2 5,-0.1 3,-0.1 -0.911 91.4 -81.3-146.8 170.5 65.9 23.9 25.8 499 143 B A > - 0 0 60 -2,-0.3 3,-1.0 1,-0.1 4,-0.5 -0.403 64.4 -83.3 -72.4 154.3 62.2 23.4 26.2 500 144 B P T 3 S+ 0 0 48 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.261 110.6 17.4 -59.8 143.5 61.0 19.8 27.0 501 145 B G T 3 S+ 0 0 18 -32,-3.1 155,-0.1 2,-0.2 -31,-0.1 0.724 102.1 90.1 69.3 26.2 60.6 17.5 24.1 502 146 B T S < S+ 0 0 52 -3,-1.0 152,-2.1 -33,-0.5 2,-0.4 0.690 83.3 34.7-118.3 -35.2 62.6 19.5 21.5 503 147 B Q E -D 653 0M 44 -4,-0.5 2,-0.6 -34,-0.3 -32,-0.4 -0.969 62.5-142.6-129.9 141.6 66.2 18.3 21.7 504 148 B R E +D 652 0M 12 148,-3.0 148,-1.8 -2,-0.4 2,-0.4 -0.891 23.0 171.4-100.8 120.4 67.8 14.9 22.4 505 149 B L - 0 0 35 -37,-2.3 -35,-0.1 -2,-0.6 146,-0.1 -0.910 35.5-125.8-130.9 103.5 71.0 15.1 24.5 506 150 B Y + 0 0 21 -2,-0.4 2,-0.3 142,-0.4 -38,-0.0 -0.214 44.9 168.2 -48.4 130.4 72.3 11.6 25.5 507 151 B A >> - 0 0 0 1,-0.1 4,-1.6 69,-0.0 3,-0.5 -0.954 46.8-154.8-158.1 131.9 72.6 11.8 29.3 508 152 B N H 3> S+ 0 0 10 -33,-3.0 4,-1.8 -2,-0.3 5,-0.3 0.871 103.7 58.7 -69.1 -35.8 73.2 9.5 32.3 509 153 B S H 34 S+ 0 0 0 -35,-1.3 4,-0.4 -34,-0.2 -1,-0.2 0.689 107.9 48.9 -67.9 -15.3 71.5 12.1 34.5 510 154 B S H <> S+ 0 0 1 -3,-0.5 4,-1.8 -36,-0.2 3,-0.4 0.949 120.0 27.5 -87.0 -66.9 68.4 11.7 32.3 511 155 B I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.823 117.1 63.5 -67.4 -27.9 67.7 8.0 32.0 512 156 B G H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.4 -1,-0.2 0.921 105.3 44.3 -62.1 -40.5 69.4 7.4 35.3 513 157 B L H > S+ 0 0 3 -4,-0.4 4,-2.3 -3,-0.4 5,-0.3 0.874 109.7 56.9 -71.8 -35.9 66.7 9.5 37.1 514 158 B F H X S+ 0 0 0 -4,-1.8 4,-2.8 -49,-0.2 -2,-0.2 0.953 106.8 49.5 -55.9 -50.1 64.0 7.7 35.0 515 159 B G H X S+ 0 0 2 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.903 111.2 48.3 -57.5 -43.1 65.1 4.4 36.3 516 160 B A H < S+ 0 0 19 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.875 116.9 41.7 -67.1 -36.6 65.1 5.5 39.9 517 161 B L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.838 103.9 67.2 -79.9 -31.6 61.7 7.0 39.7 518 162 B A H 3< S+ 0 0 2 -4,-2.8 4,-0.2 1,-0.3 -1,-0.2 0.776 104.2 44.1 -59.3 -30.2 60.2 4.2 37.7 519 163 B V T 3X S+ 0 0 7 -4,-0.9 4,-0.7 -3,-0.2 5,-0.5 0.497 87.4 93.0 -95.7 -2.4 60.6 1.7 40.6 520 164 B K T X4 S+ 0 0 99 -3,-1.3 3,-1.7 -4,-0.3 -2,-0.1 0.932 82.4 53.2 -56.1 -51.7 59.2 4.1 43.3 521 165 B P T 34 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.869 105.1 56.0 -53.7 -35.8 55.6 2.9 43.1 522 166 B S T 34 S- 0 0 27 -3,-0.3 -2,-0.2 -4,-0.2 3,-0.1 0.670 100.1-138.1 -70.2 -17.4 56.8 -0.7 43.5 523 167 B G << + 0 0 67 -3,-1.7 -3,-0.1 -4,-0.7 -1,-0.1 0.281 63.1 124.5 76.9 -13.0 58.5 0.3 46.8 524 168 B L - 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