==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-07 2QPN . COMPND 2 MOLECULE: BETA-LACTAMASE GES-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR C.A.SMITH,M.CACCAMO,K.A.KANTARDJIEFF,S.VAKULENKO . 531 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 72.1 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 . 84 15.8 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 2 0 0 0 0 6 3 1 3 0 1 0 0 0 1 1 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 . 0 2 2 2 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 21 A K > 0 0 129 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.7 -3.5 -23.0 26.6 2 22 A L H > + 0 0 136 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.815 360.0 51.6 -91.1 -17.5 -1.2 -25.9 26.6 3 23 A T H > S+ 0 0 70 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.910 111.7 47.5 -58.5 -45.2 -0.9 -24.7 23.0 4 24 A F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.960 117.6 39.2 -62.8 -58.2 -0.2 -21.3 24.7 5 25 A K H X S+ 0 0 93 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.934 118.5 48.8 -59.9 -49.1 2.4 -22.8 27.2 6 26 A T H X S+ 0 0 77 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.904 111.6 48.5 -57.2 -43.7 3.9 -25.1 24.5 7 27 A D H X S+ 0 0 50 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.895 111.9 48.6 -70.2 -38.3 4.2 -22.4 22.0 8 28 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.912 110.3 51.6 -68.0 -35.7 5.9 -20.0 24.4 9 29 A E H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.861 106.9 54.1 -69.1 -32.1 8.3 -22.7 25.6 10 30 A K H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.929 108.9 47.8 -66.0 -43.9 9.3 -23.4 22.0 11 31 A L H X S+ 0 0 25 -4,-1.8 4,-2.3 2,-0.2 6,-0.2 0.917 112.5 50.4 -58.2 -43.7 10.1 -19.7 21.4 12 32 A E H X>S+ 0 0 20 -4,-2.4 5,-1.8 1,-0.2 4,-0.9 0.909 113.4 44.6 -60.2 -42.6 12.1 -19.7 24.7 13 33 A R H <5S+ 0 0 172 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.929 117.7 43.5 -68.6 -44.2 14.1 -22.7 23.7 14 34 A E H <5S+ 0 0 115 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.845 122.6 35.9 -77.0 -27.5 14.7 -21.6 20.1 15 35 A K H <5S- 0 0 94 -4,-2.3 226,-0.3 -5,-0.2 -1,-0.2 0.407 104.0-121.5-105.5 3.1 15.6 -18.0 20.9 16 36 A A T <5 + 0 0 59 -4,-0.9 225,-0.4 -3,-0.3 2,-0.3 0.952 68.9 138.4 53.7 53.0 17.4 -18.7 24.2 17 37 A A < - 0 0 8 -5,-1.8 2,-0.4 -6,-0.2 222,-0.2 -0.818 56.0-137.3-125.3 160.2 14.8 -16.4 25.9 18 38 A Q E -A 238 0A 75 220,-2.0 220,-2.5 -2,-0.3 2,-0.5 -0.994 23.8-163.4-114.3 133.6 12.7 -16.1 28.9 19 39 A I E -A 237 0A 0 -2,-0.4 2,-0.5 218,-0.2 218,-0.2 -0.972 6.0-169.1-125.9 114.8 9.2 -14.8 28.3 20 40 A G E +A 236 0A 0 216,-3.4 216,-2.7 -2,-0.5 2,-0.3 -0.910 16.1 169.9-103.2 125.6 7.0 -13.5 31.0 21 41 A V E +AB 235 34A 0 13,-2.8 13,-2.4 -2,-0.5 2,-0.3 -0.998 14.6 175.3-136.0 140.7 3.3 -13.0 30.2 22 42 A A E -AB 234 33A 0 212,-1.8 212,-2.4 -2,-0.3 2,-0.4 -0.963 5.2-173.5-140.1 134.8 0.2 -12.2 32.0 23 43 A I E +AB 233 32A 0 9,-2.7 8,-2.9 -2,-0.3 9,-1.5 -0.998 13.9 177.9-118.7 127.2 -3.2 -11.5 30.5 24 44 A V E -AB 232 30A 0 208,-2.5 208,-2.6 -2,-0.4 6,-0.2 -0.887 27.1-118.1-127.5 159.2 -6.0 -10.4 32.9 25 45 A D > - 0 0 27 4,-2.2 3,-2.5 -2,-0.3 206,-0.2 -0.259 52.4 -82.7 -80.2 175.3 -9.6 -9.4 32.5 26 46 A P T 3 S+ 0 0 29 0, 0.0 144,-0.2 0, 0.0 205,-0.1 0.752 132.6 48.2 -57.4 -25.7 -10.8 -5.9 33.4 27 47 A Q T 3 S- 0 0 144 2,-0.1 140,-0.0 144,-0.0 136,-0.0 0.310 123.2-102.6 -94.0 8.7 -11.1 -6.9 37.1 28 48 A G < + 0 0 9 -3,-2.5 2,-0.2 1,-0.3 135,-0.1 0.578 68.2 151.5 83.5 6.0 -7.6 -8.5 37.1 29 49 A E - 0 0 120 1,-0.1 -4,-2.2 134,-0.0 2,-0.3 -0.540 53.8-101.4 -72.3 139.6 -8.7 -12.1 37.0 30 50 A I E +B 24 0A 89 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.412 43.2 167.7 -71.1 125.4 -6.2 -14.3 35.3 31 51 A V E S- 0 0 42 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.813 70.3 -26.5 -96.8 -44.6 -6.8 -15.3 31.6 32 52 A A E +B 23 0A 0 -9,-1.5 -9,-2.7 -28,-0.0 -1,-0.4 -0.983 62.2 172.0-161.8 156.9 -3.3 -16.7 30.9 33 53 A G E -B 22 0A 21 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.981 18.0-160.7-166.2 171.7 0.2 -16.4 31.9 34 54 A H E S-B 21 0A 16 -13,-2.4 -13,-2.8 -2,-0.3 4,-0.1 -0.950 88.6 -9.0-154.2 127.6 3.7 -17.7 31.7 35 55 A R S > S+ 0 0 85 -2,-0.3 3,-1.6 -15,-0.2 124,-0.1 0.869 86.9 163.2 47.4 41.2 6.5 -17.0 34.2 36 56 A M T 3 + 0 0 57 1,-0.3 123,-2.8 122,-0.1 124,-0.4 0.706 64.4 40.4 -73.6 -19.0 3.9 -14.6 35.5 37 57 A A T 3 S+ 0 0 74 121,-0.2 2,-0.3 120,-0.1 -1,-0.3 0.168 87.9 113.1-112.6 14.7 5.4 -14.0 38.9 38 58 A Q S < S- 0 0 58 -3,-1.6 2,-0.3 -4,-0.1 121,-0.1 -0.667 71.3-115.9 -83.1 139.0 9.1 -13.8 37.8 39 59 A R + 0 0 108 -2,-0.3 2,-0.3 118,-0.2 118,-0.2 -0.613 37.1 175.6 -77.4 139.0 10.7 -10.5 38.2 40 60 A F E -E 156 0B 7 116,-2.5 116,-2.4 -2,-0.3 2,-0.1 -0.972 41.0 -93.6-135.0 149.5 11.9 -8.6 35.1 41 61 A A E -E 155 0B 10 -2,-0.3 114,-0.3 114,-0.2 113,-0.1 -0.392 29.8-145.0 -58.6 132.3 13.3 -5.2 34.6 42 62 A M > + 0 0 0 112,-2.7 3,-1.9 94,-0.2 -1,-0.1 0.849 30.0 175.3 -68.7 -34.5 10.5 -2.7 33.8 43 63 A a G > - 0 0 2 111,-0.5 3,-1.1 101,-0.4 -1,-0.1 -0.356 69.3 -19.9 55.4-144.0 12.6 -0.7 31.5 44 64 A S G > S+ 0 0 14 1,-0.3 3,-2.0 168,-0.1 4,-0.3 0.469 117.1 91.2 -73.4 -7.9 10.4 2.1 29.9 45 65 A T G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.794 74.6 69.4 -60.6 -23.7 7.2 0.3 30.6 46 66 A F G <> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.3 -1,-0.3 0.693 78.7 79.1 -66.0 -19.5 7.0 2.2 33.8 47 67 A K H <> S+ 0 0 1 -3,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.774 87.8 57.7 -62.0 -25.0 6.4 5.4 31.9 48 68 A F H <> S+ 0 0 2 -3,-1.5 4,-2.2 -4,-0.3 3,-0.3 0.985 109.0 42.3 -67.2 -58.5 2.7 4.3 31.5 49 69 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.849 111.2 58.4 -56.8 -30.4 2.1 4.1 35.3 50 70 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.923 106.2 47.5 -60.2 -46.7 4.1 7.3 35.6 51 71 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 -3,-0.3 -1,-0.2 0.887 109.7 53.7 -60.0 -37.3 1.6 9.0 33.3 52 72 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 107.0 51.2 -61.8 -43.2 -1.2 7.5 35.4 53 73 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 110.1 50.3 -54.8 -47.7 0.3 9.0 38.6 54 74 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 110.2 49.3 -61.7 -45.6 0.4 12.4 36.8 55 75 A F H X S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.873 106.9 55.5 -63.4 -33.5 -3.2 12.0 35.8 56 76 A E H X S+ 0 0 34 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.914 109.6 47.0 -61.6 -40.1 -4.2 11.1 39.4 57 77 A R H X>S+ 0 0 67 -4,-2.1 5,-1.6 2,-0.2 6,-1.3 0.912 112.4 49.5 -68.5 -40.5 -2.6 14.3 40.5 58 78 A I H ><5S+ 0 0 43 -4,-2.6 3,-0.8 4,-0.2 -2,-0.2 0.957 111.5 49.3 -59.8 -46.7 -4.3 16.3 37.8 59 79 A D H 3<5S+ 0 0 51 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.2 45.9 -56.9 -43.6 -7.7 14.7 38.8 60 80 A S H 3<5S- 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.613 113.7-114.8 -78.8 -10.7 -7.1 15.5 42.4 61 81 A G T <<5S+ 0 0 62 -4,-1.1 -3,-0.2 -3,-0.8 -4,-0.1 0.512 87.1 111.2 89.2 3.1 -6.0 19.1 41.8 62 82 A T S - 0 0 132 -2,-0.3 3,-1.3 1,-0.1 30,-0.3 -0.973 11.5-142.9-118.9 129.4 -2.0 21.1 36.6 65 85 A G T 3 S+ 0 0 10 -2,-0.4 30,-2.6 1,-0.3 31,-0.3 0.812 99.7 49.0 -63.7 -29.9 -1.6 19.7 33.1 66 86 A D T 3 S+ 0 0 102 28,-0.2 -1,-0.3 27,-0.1 2,-0.1 0.387 80.1 127.8 -91.0 3.7 -0.6 22.9 31.4 67 87 A R < - 0 0 75 -3,-1.3 27,-2.0 1,-0.1 2,-0.5 -0.446 62.3-122.8 -63.8 131.7 2.0 23.8 34.1 68 88 A K E -F 93 0C 111 25,-0.2 2,-0.6 -2,-0.1 25,-0.2 -0.659 18.7-157.3 -82.9 122.8 5.3 24.7 32.5 69 89 A L E -F 92 0C 2 23,-2.9 23,-1.7 -2,-0.5 2,-0.2 -0.911 15.2-149.5-102.0 108.3 8.4 22.6 33.6 70 90 A S E +F 91 0C 84 -2,-0.6 2,-0.3 21,-0.2 21,-0.3 -0.520 25.1 157.7 -84.5 147.5 11.6 24.5 32.9 71 91 A Y - 0 0 22 19,-1.8 -2,-0.0 -2,-0.2 41,-0.0 -0.983 24.4-145.2-159.2 164.5 14.9 22.8 32.0 72 92 A G > - 0 0 30 -2,-0.3 3,-2.3 4,-0.0 4,-0.3 -0.584 51.4 -71.5-122.0-173.7 18.2 23.2 30.4 73 93 A P G > S+ 0 0 94 0, 0.0 3,-1.7 0, 0.0 14,-0.0 0.739 119.1 73.2 -56.8 -26.3 20.6 21.0 28.4 74 94 A D G 3 S+ 0 0 163 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.686 90.0 61.6 -62.0 -19.5 21.6 18.9 31.5 75 95 A M G < S+ 0 0 35 -3,-2.3 2,-0.6 8,-0.1 -1,-0.3 0.580 79.4 100.1 -85.7 -10.3 18.2 17.3 31.3 76 96 A I < + 0 0 43 -3,-1.7 2,-0.3 -4,-0.3 3,-0.1 -0.665 48.7 164.0 -76.5 119.1 18.9 15.8 27.9 77 97 A V - 0 0 36 -2,-0.6 31,-0.3 1,-0.1 30,-0.2 -0.779 50.6 -50.8-124.9 173.4 19.8 12.2 28.2 78 98 A E S S+ 0 0 136 -2,-0.3 29,-0.2 1,-0.2 -1,-0.1 -0.197 122.8 14.7 -50.0 134.3 20.0 9.4 25.6 79 99 A W S S+ 0 0 155 1,-0.1 28,-2.7 28,-0.1 29,-0.3 0.978 76.6 139.5 55.6 74.3 16.8 9.1 23.6 80 100 A S > + 0 0 0 26,-0.2 4,-2.5 27,-0.2 5,-0.2 -0.416 12.1 157.4-130.7 57.8 15.0 12.4 24.4 81 101 A P H > S+ 0 0 12 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.882 76.3 37.1 -61.5 -44.1 13.6 13.4 21.0 82 102 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 115.6 53.7 -72.5 -44.6 10.8 15.7 22.2 83 103 A T H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.887 108.6 51.1 -58.4 -39.2 12.8 17.2 25.1 84 104 A E H >< S+ 0 0 108 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.908 110.2 48.5 -64.3 -38.4 15.6 18.0 22.6 85 105 A R H 3< S+ 0 0 35 -4,-1.4 3,-0.3 1,-0.2 4,-0.3 0.870 115.5 43.8 -69.6 -36.8 13.1 19.8 20.3 86 106 A F H 3X>S+ 0 0 12 -4,-2.4 4,-1.1 1,-0.2 5,-0.8 0.502 88.3 96.0 -85.6 -1.8 11.6 21.8 23.1 87 107 A L T X<5S+ 0 0 48 -4,-0.7 3,-0.9 -3,-0.5 -1,-0.2 0.899 80.5 51.0 -59.1 -48.1 15.0 22.7 24.7 88 108 A A T 345S+ 0 0 38 -4,-0.4 -1,-0.3 -3,-0.3 385,-0.1 0.885 106.7 54.9 -61.6 -36.0 15.4 26.1 23.1 89 109 A S T 345S- 0 0 31 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.786 108.4-133.9 -65.9 -25.6 11.9 27.1 24.2 90 110 A G T <<5 + 0 0 22 -4,-1.1 -19,-1.8 -3,-0.9 2,-0.3 0.340 66.2 47.4 91.4 2.5 13.1 26.2 27.7 91 111 A H E < -F 70 0C 24 -5,-0.8 2,-0.3 -21,-0.3 -21,-0.2 -0.993 51.4-154.5-159.1 163.3 10.1 24.1 29.0 92 112 A M E -F 69 0C 2 -23,-1.7 -23,-2.9 -2,-0.3 2,-0.1 -0.973 33.3-117.5-130.4 147.3 7.6 21.4 28.4 93 113 A T E > -F 68 0C 18 -2,-0.3 4,-3.0 -25,-0.2 5,-0.3 -0.428 30.0-105.2 -73.4 165.7 4.3 21.3 30.1 94 114 A V H > S+ 0 0 1 -27,-2.0 4,-2.3 -30,-0.3 -28,-0.2 0.931 123.6 44.0 -51.5 -49.6 3.3 18.4 32.4 95 115 A L H > S+ 0 0 60 -30,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.886 111.5 51.8 -70.2 -35.4 1.0 17.0 29.8 96 116 A E H > S+ 0 0 44 -31,-0.3 4,-2.3 2,-0.2 5,-0.2 0.935 113.2 46.8 -62.0 -48.5 3.5 17.5 26.9 97 117 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.908 112.7 48.7 -63.7 -44.0 6.1 15.7 29.0 98 118 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.920 112.3 47.8 -64.0 -41.5 3.7 12.8 29.9 99 119 A Q H X S+ 0 0 48 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.883 112.8 49.0 -67.5 -38.2 2.6 12.3 26.3 100 120 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 6,-1.9 0.887 110.0 52.2 -66.6 -39.1 6.2 12.3 25.1 101 121 A A H X S+ 0 0 1 -4,-2.5 4,-0.5 4,-0.3 -2,-0.2 0.921 117.9 37.0 -60.2 -46.5 7.2 9.8 27.8 102 122 A V H < S+ 0 0 0 -4,-2.3 108,-0.2 -5,-0.2 -2,-0.2 0.924 126.8 32.4 -74.8 -45.5 4.3 7.5 26.8 103 123 A Q H < S+ 0 0 20 -4,-3.0 87,-2.3 -5,-0.2 88,-0.3 0.681 134.6 23.7 -91.2 -22.6 4.3 7.8 23.0 104 124 A L H < S- 0 0 17 -4,-2.1 -3,-0.2 -5,-0.3 3,-0.2 0.350 94.9-125.4-117.4 -5.2 8.0 8.4 22.3 105 125 A S < - 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0 0 6 -2,-0.3 4,-2.7 -118,-0.2 5,-0.3 -0.921 27.0-115.9-120.6 155.7 6.3 -9.1 37.4 158 178 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -136,-0.2 0.921 115.8 46.8 -54.6 -43.9 4.0 -9.7 34.5 159 179 A I H > S+ 0 0 19 -123,-2.8 4,-2.3 2,-0.2 5,-0.2 0.920 112.8 47.9 -68.6 -42.6 1.0 -10.4 36.7 160 180 A A H > S+ 0 0 12 -124,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.948 116.1 44.4 -60.4 -49.6 1.6 -7.3 39.0 161 181 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.915 111.6 52.0 -69.7 -39.8 2.0 -5.1 36.0 162 182 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.922 111.1 48.9 -59.0 -40.1 -1.0 -6.5 34.1 163 183 A R H X S+ 0 0 97 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.872 109.6 52.0 -65.8 -37.6 -3.1 -6.0 37.2 164 184 A T H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 109.0 50.3 -64.1 -45.8 -1.8 -2.4 37.4 165 185 A V H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.4 0.944 110.7 49.4 -55.7 -47.1 -2.7 -1.8 33.8 166 186 A A H X>S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-1.5 0.899 108.9 52.2 -63.1 -38.9 -6.2 -3.1 34.4 167 187 A K H <5S+ 0 0 76 -4,-2.2 6,-1.8 3,-0.2 4,-0.3 0.922 113.8 44.3 -59.7 -44.4 -6.7 -0.9 37.5 168 188 A V H <5S+ 0 0 2 -4,-2.2 6,-0.4 -5,-0.2 -2,-0.2 0.906 124.9 30.5 -69.0 -38.7 -5.7 2.2 35.6 169 189 A L H <5S+ 0 0 18 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.772 140.7 9.5 -90.4 -32.7 -7.7 1.5 32.4 170 190 A Y T <5S+ 0 0 61 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.596 112.8 69.9-124.5 -17.7 -10.6 -0.4 33.8 171 191 A G S - 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0 0 14 -5,-0.6 -4,-0.2 -4,-0.6 2,-0.2 0.767 40.7-172.6 64.3 30.2 2.9 14.9 8.2 374 126 B D > - 0 0 0 -6,-1.9 4,-1.7 1,-0.2 -26,-0.2 -0.339 15.5-163.5 -65.5 119.7 0.1 12.2 8.3 375 127 B N H > S+ 0 0 18 -28,-2.8 4,-2.6 -29,-0.3 34,-0.3 0.868 86.5 50.6 -73.8 -40.1 -1.7 12.1 5.0 376 128 B G H > S+ 0 0 0 -29,-0.3 4,-2.2 -31,-0.2 -1,-0.2 0.913 111.3 50.1 -67.2 -39.0 -4.7 10.2 6.1 377 129 B A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 110.0 51.2 -65.3 -42.7 -5.2 12.6 9.0 378 130 B T H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.933 110.8 47.8 -57.2 -47.9 -4.9 15.5 6.6 379 131 B N H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.867 107.9 55.7 -66.4 -32.3 -7.6 14.0 4.3 380 132 B L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.930 110.5 45.5 -64.5 -45.3 -9.8 13.3 7.3 381 133 B L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 6,-0.2 0.916 109.3 54.9 -63.1 -44.5 -9.7 17.0 8.2 382 134 B L H X>S+ 0 0 4 -4,-2.7 5,-3.2 1,-0.2 4,-1.1 0.911 108.0 49.2 -54.0 -45.3 -10.2 18.0 4.6 383 135 B R H <5S+ 0 0 143 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.916 113.6 48.8 -62.1 -39.1 -13.4 16.0 4.5 384 136 B E H <5S+ 0 0 42 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.904 113.9 42.7 -67.1 -38.5 -14.5 17.6 7.7 385 137 B I H <5S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.514 124.5 -85.3 -99.2 -0.9 -13.9 21.2 6.8 386 138 B G T X5 - 0 0 50 -4,-1.1 4,-1.1 -3,-0.3 3,-0.3 0.684 65.1 -98.5 107.4 26.6 -15.2 21.3 3.3 387 139 B G H >> S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 17,-0.4 0.850 133.0 61.9 -49.2 -37.6 -9.7 22.0 -0.8 389 141 B A H 3> S+ 0 0 75 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.912 104.3 49.4 -59.5 -38.4 -12.2 24.8 -1.6 390 142 B A H S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 3,-0.2 0.942 110.1 47.7 -52.8 -44.7 -6.3 31.6 2.7 396 148 B R H ><5S+ 0 0 100 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.892 106.9 57.3 -62.6 -41.0 -8.4 34.4 1.2 397 149 B K H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 106.8 47.6 -61.2 -36.5 -9.9 35.2 4.6 398 150 B I T 3<5S- 0 0 16 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.172 128.7 -93.9 -94.4 22.0 -6.5 35.8 6.2 399 151 B G T < 5S+ 0 0 63 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.598 84.8 129.6 87.1 10.6 -5.4 38.1 3.3 400 152 B D < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.867 22.4 169.4 -99.0 106.1 -3.6 35.5 1.1 401 153 B S S S+ 0 0 91 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.301 72.2 54.1 -94.5 7.6 -5.0 35.8 -2.4 402 154 B V S S+ 0 0 36 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.795 79.7 85.6-111.8 -50.6 -2.2 33.6 -3.9 403 155 B S - 0 0 0 -8,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.256 55.3-177.6 -60.3 142.4 -2.1 30.2 -2.1 404 156 B R - 0 0 65 19,-2.2 2,-0.5 16,-0.1 19,-0.3 -0.991 20.5-159.4-147.2 130.2 -4.5 27.6 -3.4 405 157 B L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.4 3,-0.1 -0.969 21.3 161.2-106.6 130.7 -5.3 24.1 -2.4 406 158 B D + 0 0 53 -2,-0.5 2,-0.3 1,-0.2 -17,-0.1 0.611 55.8 31.7-119.1 -27.2 -6.9 22.1 -5.2 407 159 B R - 0 0 31 -19,-0.1 -1,-0.2 -20,-0.1 2,-0.1 -0.921 67.9-118.0-138.4 157.9 -6.5 18.4 -4.3 408 160 B K > - 0 0 98 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.203 59.5 -35.6 -81.7-179.4 -6.3 16.0 -1.4 409 161 B E T 4 S+ 0 0 9 -34,-0.3 -1,-0.1 1,-0.3 -30,-0.0 -0.647 115.0 9.9 -85.2 148.4 -3.4 13.7 -0.5 410 162 B P T >4 S+ 0 0 60 0, 0.0 3,-2.3 0, 0.0 -1,-0.3 -0.999 123.2 54.5 -89.4 -6.1 -1.3 12.3 -2.1 411 163 B E G >4 S+ 0 0 60 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.750 92.6 73.7 -67.1 -18.3 -2.1 13.7 -5.6 412 164 B M G 3< S+ 0 0 2 -4,-1.8 3,-0.4 1,-0.3 -101,-0.4 0.777 92.8 58.9 -63.5 -18.4 -1.7 17.3 -4.4 413 165 B G G < + 0 0 12 -3,-2.3 69,-1.7 1,-0.2 -1,-0.3 0.277 69.6 106.7 -88.6 8.7 2.0 16.5 -4.3 414 166 B D < - 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0 0 10 -2,-0.3 4,-2.5 -118,-0.2 5,-0.3 -0.919 29.1-115.0-118.3 155.3 4.7 31.8 -3.4 426 178 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -136,-0.2 0.908 116.0 46.7 -55.2 -44.4 7.3 32.3 -0.7 427 179 B I H > S+ 0 0 22 -123,-2.5 4,-2.2 1,-0.2 5,-0.2 0.912 112.1 50.2 -69.2 -38.1 6.1 35.8 0.2 428 180 B A H > S+ 0 0 12 -124,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.937 115.0 43.4 -61.5 -45.4 2.5 34.8 0.3 429 181 B M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.901 111.2 53.0 -69.8 -41.1 3.2 31.8 2.5 430 182 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.902 111.0 48.4 -59.0 -42.4 5.6 33.7 4.8 431 183 B R H X S+ 0 0 102 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.880 109.2 52.8 -67.6 -31.8 2.9 36.4 5.3 432 184 B T H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 108.8 50.0 -66.5 -42.9 0.3 33.7 6.0 433 185 B V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.941 111.2 49.1 -58.9 -46.0 2.6 32.2 8.7 434 186 B A H X>S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-1.3 0.906 109.6 51.5 -63.5 -42.0 3.1 35.6 10.2 435 187 B K H X5S+ 0 0 95 -4,-2.4 6,-1.8 3,-0.2 4,-0.6 0.912 113.3 45.3 -59.7 -42.1 -0.7 36.3 10.2 436 188 B V H <5S+ 0 0 2 -4,-2.2 6,-0.4 4,-0.2 -2,-0.2 0.890 125.2 29.9 -68.5 -41.9 -1.4 32.9 12.0 437 189 B L H <5S+ 0 0 16 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.788 140.9 8.2 -92.3 -26.8 1.4 33.3 14.6 438 190 B Y H <5S+ 0 0 48 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.539 113.1 70.0-129.9 -16.3 1.7 37.0 15.1 439 191 B G S < - 0 0 65 -2,-0.3 4,-2.8 -120,-0.2 5,-0.2 -0.233 45.4-101.9 -62.3 163.5 -7.0 33.4 19.8 444 196 B S H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 122.9 48.9 -53.7 -47.5 -4.0 33.5 22.2 445 197 B T H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 113.6 44.0 -63.4 -47.3 -4.7 29.9 23.3 446 198 B S H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 112.4 53.8 -65.6 -38.1 -4.9 28.5 19.8 447 199 B T H X S+ 0 0 27 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.919 109.6 47.5 -59.9 -48.0 -1.9 30.5 18.7 448 200 B H H X S+ 0 0 72 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.921 111.3 51.3 -62.5 -41.8 0.2 29.1 21.5 449 201 B T H X S+ 0 0 45 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 111.2 45.7 -62.5 -48.3 -1.0 25.6 20.8 450 202 B I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.875 110.7 54.3 -64.8 -34.3 -0.1 25.7 17.1 451 203 B E H X S+ 0 0 26 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.940 108.8 49.0 -59.7 -46.7 3.3 27.3 17.9 452 204 B R H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 108.2 54.2 -61.8 -38.8 4.0 24.4 20.3 453 205 B W H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.923 109.0 48.3 -62.1 -41.5 3.0 21.9 17.6 454 206 B L H >< S+ 0 0 0 -4,-2.0 22,-1.6 1,-0.2 3,-1.1 0.890 110.4 50.8 -64.9 -44.0 5.5 23.5 15.2 455 207 B I H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 20,-0.3 -2,-0.2 0.921 113.0 46.6 -57.4 -40.8 8.3 23.4 17.7 456 208 B G T 3< S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.330 80.2 141.7 -87.6 9.8 7.6 19.7 18.4 457 209 B N < - 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