==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-11 3R2U . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.MINASOV,Z.WAWRZAK,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WIN . 1359 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 893 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 116 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 2 4 3 4 6 4 3 4 4 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 14 4 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 . 9 6 4 8 0 4 2 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 . 2 0 0 4 4 4 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 -1 A N 0 0 121 0, 0.0 3,-0.1 0, 0.0 545,-0.1 0.000 360.0 360.0 360.0 -64.5 -24.3 16.6 34.3 2 0 A A + 0 0 6 1,-0.2 21,-1.7 21,-0.1 22,-0.6 0.487 360.0 50.1 -97.8 -9.5 -28.0 17.3 34.9 3 1 A M E -A 22 0A 8 19,-0.2 545,-0.7 20,-0.1 546,-0.5 -0.978 60.5-156.9-142.5 133.0 -27.7 20.8 33.4 4 2 A F E +A 21 0A 14 17,-3.2 17,-2.2 -2,-0.4 2,-0.3 -0.800 19.0 177.1-100.0 142.8 -26.3 22.5 30.4 5 3 A F E +A 20 0A 8 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.971 4.1 166.8-146.1 128.7 -25.4 26.2 30.6 6 4 A K E -A 19 0A 86 13,-2.5 13,-2.6 -2,-0.3 2,-0.3 -0.975 22.0-145.8-147.6 134.4 -23.9 28.5 28.0 7 5 A Q E -A 18 0A 38 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.729 9.4-159.5 -94.1 143.0 -23.4 32.2 27.7 8 6 A F E -A 17 0A 26 9,-3.3 9,-2.6 -2,-0.3 2,-0.5 -0.995 9.6-167.8-123.3 124.9 -23.6 34.0 24.3 9 7 A Y E -A 16 0A 83 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.956 12.8-155.1-119.8 126.6 -22.0 37.4 24.0 10 8 A D E >> -A 15 0A 27 5,-2.6 4,-1.8 -2,-0.5 5,-1.3 -0.888 7.0-157.8 -97.1 117.4 -22.4 39.8 21.2 11 9 A K T 45S+ 0 0 104 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.844 90.3 49.5 -63.7 -33.4 -19.4 42.1 21.1 12 10 A H T 45S+ 0 0 8 1,-0.2 293,-0.3 -3,-0.1 -1,-0.2 0.899 119.5 36.8 -73.8 -37.9 -21.2 44.9 19.2 13 11 A L T 45S- 0 0 9 2,-0.1 -2,-0.2 291,-0.1 -1,-0.2 0.648 96.7-137.4 -84.1 -18.7 -24.2 45.0 21.5 14 12 A S T <5 + 0 0 2 -4,-1.8 184,-1.8 1,-0.2 2,-0.4 0.857 58.7 146.3 56.9 39.0 -22.0 44.3 24.7 15 13 A Q E < -AB 10 197A 2 -5,-1.3 -5,-2.6 182,-0.2 2,-0.5 -0.884 42.8-153.9-119.1 137.1 -24.9 41.9 25.4 16 14 A A E +A 9 0A 2 180,-2.5 2,-0.3 -2,-0.4 -7,-0.2 -0.931 16.0 171.3-112.8 127.1 -25.1 38.6 27.2 17 15 A S E -A 8 0A 2 -9,-2.6 -9,-3.3 -2,-0.5 2,-0.3 -0.823 17.0-147.7-122.9 165.7 -27.8 36.0 26.6 18 16 A Y E -AC 7 31A 3 13,-1.7 13,-2.9 -2,-0.3 2,-0.5 -0.965 13.2-153.3-141.8 148.7 -27.9 32.4 27.9 19 17 A L E -AC 6 30A 0 -13,-2.6 -13,-2.5 -2,-0.3 2,-0.4 -0.996 18.2-178.4-120.2 125.8 -29.0 28.9 27.0 20 18 A I E -AC 5 29A 0 9,-2.1 9,-2.5 -2,-0.5 2,-0.4 -0.948 6.8-171.2-119.8 145.8 -29.8 26.5 29.8 21 19 A G E -AC 4 28A 0 -17,-2.2 -17,-3.2 -2,-0.4 2,-0.7 -0.999 24.8-131.9-145.0 143.9 -30.9 22.9 29.3 22 20 A C E > -A 3 0A 2 5,-2.9 4,-2.9 -2,-0.4 -19,-0.2 -0.815 13.3-163.3 -93.2 113.6 -32.2 20.0 31.2 23 21 A Q T 4 S+ 0 0 74 -21,-1.7 -1,-0.2 -2,-0.7 -20,-0.1 0.847 87.3 58.0 -68.1 -28.8 -30.2 16.9 30.3 24 22 A K T 4 S+ 0 0 141 -22,-0.6 -1,-0.2 1,-0.2 85,-0.1 0.929 125.8 14.5 -66.6 -45.5 -32.9 14.6 31.8 25 23 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 83,-0.1 -1,-0.2 0.665 94.9-124.6-103.6 -21.9 -35.8 15.9 29.6 26 24 A G < + 0 0 14 -4,-2.9 24,-3.1 1,-0.3 -3,-0.1 0.344 59.7 144.6 91.6 -6.4 -34.0 17.8 26.8 27 25 A E E - d 0 50A 70 22,-0.2 -5,-2.9 -5,-0.2 2,-0.3 -0.329 26.5-173.9 -65.9 147.0 -35.9 21.0 27.5 28 26 A A E -Cd 21 51A 0 22,-1.2 24,-2.1 -7,-0.2 25,-1.9 -0.997 13.2-155.3-147.3 148.7 -34.0 24.2 27.0 29 27 A M E -Cd 20 53A 0 -9,-2.5 -9,-2.1 -2,-0.3 2,-0.5 -0.973 8.4-146.9-127.6 138.8 -34.5 27.9 27.5 30 28 A I E -Cd 19 54A 0 23,-1.8 25,-2.3 -2,-0.4 2,-0.5 -0.907 15.5-154.2-100.3 129.4 -33.0 31.1 26.0 31 29 A I E S-Cd 18 55A 1 -13,-2.9 -13,-1.7 -2,-0.5 25,-0.2 -0.912 75.0 -6.3-105.7 129.0 -32.6 34.0 28.3 32 30 A D S S- 0 0 2 23,-2.6 -1,-0.2 -2,-0.5 24,-0.1 0.918 88.0-159.2 54.0 55.3 -32.6 37.5 26.7 33 31 A P - 0 0 0 0, 0.0 33,-2.7 0, 0.0 34,-0.4 -0.295 9.0-137.6 -66.9 145.1 -32.5 36.2 23.1 34 32 A I - 0 0 22 2,-0.3 31,-0.1 31,-0.2 301,-0.1 -0.311 34.4 -98.9 -84.0 177.5 -31.3 38.4 20.2 35 33 A R S S+ 0 0 1 29,-0.5 2,-0.8 300,-0.1 227,-0.2 0.803 108.9 70.7 -72.4 -35.1 -33.3 38.3 16.9 36 34 A D - 0 0 23 1,-0.1 3,-0.3 295,-0.1 -2,-0.3 -0.803 62.3-177.5 -85.3 113.3 -31.1 35.9 15.1 37 35 A L > + 0 0 0 -2,-0.8 4,-2.2 1,-0.2 3,-0.3 0.470 51.8 102.1 -93.0 -1.6 -31.7 32.6 16.9 38 36 A S H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.810 77.4 52.2 -55.1 -41.0 -29.2 30.5 14.9 39 37 A S H > S+ 0 0 45 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.924 111.9 45.5 -64.3 -44.7 -26.5 30.3 17.5 40 38 A Y H > S+ 0 0 4 -3,-0.3 4,-2.8 -4,-0.2 -2,-0.2 0.934 114.5 49.8 -63.0 -45.2 -28.8 29.1 20.2 41 39 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 110.2 49.4 -58.8 -47.2 -30.3 26.6 17.8 42 40 A R H X S+ 0 0 97 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.924 113.5 45.8 -60.3 -47.9 -26.9 25.2 16.7 43 41 A V H X S+ 0 0 18 -4,-2.2 4,-1.8 2,-0.2 6,-0.2 0.926 112.1 51.3 -63.3 -45.8 -25.7 24.8 20.3 44 42 A A H X>S+ 0 0 1 -4,-2.8 5,-2.6 -5,-0.2 4,-0.7 0.939 109.9 50.7 -56.2 -47.1 -29.0 23.1 21.3 45 43 A D H ><5S+ 0 0 33 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.923 108.7 51.0 -56.1 -46.4 -28.7 20.7 18.4 46 44 A E H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 114.5 44.3 -60.6 -34.3 -25.1 19.8 19.4 47 45 A E H 3<5S- 0 0 46 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.419 113.4-113.0 -92.7 -1.0 -26.2 19.1 23.0 48 46 A G T <<5S+ 0 0 58 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.2 0.719 71.9 136.9 75.2 22.8 -29.4 17.1 22.1 49 47 A L < - 0 0 6 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.662 47.2-143.2-102.3 159.2 -31.6 19.8 23.6 50 48 A T E -d 27 0A 90 -24,-3.1 -22,-1.2 -2,-0.2 2,-0.9 -0.986 20.6-126.2-122.6 125.3 -34.8 21.3 22.2 51 49 A I E +d 28 0A 17 -2,-0.5 -22,-0.2 1,-0.2 -24,-0.1 -0.624 48.4 150.1 -74.9 106.6 -35.5 25.0 22.7 52 50 A T E + 0 0 39 -24,-2.1 25,-2.4 -2,-0.9 2,-0.3 0.413 57.8 38.7-114.3 -9.4 -38.9 24.9 24.3 53 51 A H E -de 29 77A 10 -25,-1.9 -23,-1.8 23,-0.2 2,-0.3 -0.969 50.2-179.1-144.9 155.9 -38.7 28.1 26.4 54 52 A A E -de 30 78A 0 23,-1.6 25,-2.2 -2,-0.3 2,-0.3 -0.966 7.8-173.3-152.5 147.4 -37.4 31.7 26.4 55 53 A A E -de 31 79A 0 -25,-2.3 -23,-2.6 -2,-0.3 2,-0.4 -0.963 9.8-151.3-140.7 155.5 -37.5 34.4 29.0 56 54 A E - 0 0 0 23,-1.8 25,-0.4 -2,-0.3 3,-0.1 -0.992 11.0-147.2-132.2 136.0 -36.6 38.0 29.0 57 55 A T S S- 0 0 1 -2,-0.4 69,-2.9 1,-0.2 2,-0.3 0.789 72.4 -34.6 -73.9 -30.6 -35.4 40.1 32.0 58 56 A H S S- 0 0 0 67,-0.2 2,-0.9 63,-0.0 -1,-0.2 -0.970 79.8 -59.6-175.0 176.4 -37.0 43.5 31.0 59 57 A I - 0 0 3 -2,-0.3 193,-0.1 -3,-0.1 197,-0.1 -0.671 64.5-134.5 -77.5 107.3 -38.0 45.7 28.1 60 58 A H - 0 0 0 -2,-0.9 195,-0.3 1,-0.1 5,-0.1 -0.346 27.3-174.1 -73.3 145.4 -34.5 46.3 26.5 61 59 A A S S+ 0 0 6 191,-0.1 190,-0.4 -2,-0.1 191,-0.3 0.437 81.2 49.5-109.9 -5.5 -33.3 49.7 25.4 62 60 A D S S+ 0 0 25 1,-0.2 2,-0.3 189,-0.1 186,-0.1 0.344 112.4 17.4-127.6 8.4 -30.0 48.6 23.7 63 61 A F S S- 0 0 0 185,-0.1 2,-0.5 273,-0.1 273,-0.2 -0.946 81.6 -93.9-166.4 165.2 -30.8 45.7 21.3 64 62 A A - 0 0 1 271,-2.4 -29,-0.5 -2,-0.3 273,-0.2 -0.757 42.6-123.7 -91.0 123.0 -33.9 44.2 19.6 65 63 A S - 0 0 10 -2,-0.5 3,-0.3 186,-0.2 -31,-0.2 -0.410 14.4-162.1 -66.6 137.1 -35.5 41.3 21.5 66 64 A G > + 0 0 0 -33,-2.7 4,-2.2 1,-0.2 -32,-0.2 0.325 64.0 106.1 -95.2 10.5 -35.9 38.0 19.7 67 65 A I H > S+ 0 0 0 -34,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.866 79.8 45.9 -62.9 -40.7 -38.5 36.8 22.3 68 66 A R H > S+ 0 0 19 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.874 110.9 54.6 -67.6 -36.4 -41.5 37.2 19.9 69 67 A D H >>S+ 0 0 5 -4,-0.2 4,-3.2 2,-0.2 5,-0.6 0.883 106.4 52.8 -62.4 -38.5 -39.5 35.4 17.2 70 68 A V H X5S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 6,-1.2 0.946 111.3 44.8 -61.8 -48.3 -38.9 32.5 19.6 71 69 A A H X5S+ 0 0 14 -4,-1.8 4,-0.6 4,-0.2 -2,-0.2 0.907 122.2 38.0 -61.9 -44.4 -42.7 32.2 20.3 72 70 A I H <5S+ 0 0 100 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.931 124.7 33.8 -77.8 -46.1 -43.6 32.5 16.7 73 71 A K H <5S+ 0 0 31 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.864 131.7 29.4 -81.6 -35.4 -40.8 30.5 14.9 74 72 A L H < - 0 0 87 -2,-0.3 4,-0.6 1,-0.1 -1,-0.1 -0.297 49.3 -88.0 -80.8 177.6 -48.3 49.2 35.2 86 84 A D T 4 S+ 0 0 152 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.574 122.3 34.2 -65.0 -7.2 -51.3 49.2 32.8 87 85 A T T 4 S+ 0 0 96 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.719 111.5 49.6-121.1 -31.3 -49.4 51.5 30.3 88 86 A L T 4 S+ 0 0 80 -3,-0.1 -2,-0.1 2,-0.0 36,-0.1 0.285 89.2 102.9 -98.5 11.6 -45.6 50.7 30.2 89 87 A G S < S- 0 0 4 -4,-0.6 -7,-0.1 1,-0.2 2,-0.1 -0.180 83.4 -64.4 -87.5 179.6 -45.8 47.0 29.8 90 88 A Y - 0 0 14 -9,-0.4 2,-0.3 167,-0.0 3,-0.2 -0.375 53.5-168.6 -64.4 140.1 -45.4 44.6 26.9 91 89 A K + 0 0 70 165,-3.0 -1,-0.0 1,-0.2 -3,-0.0 -0.803 58.6 26.1-125.2 166.2 -47.9 45.0 24.0 92 90 A N S S+ 0 0 118 -2,-0.3 -1,-0.2 1,-0.2 165,-0.0 0.864 79.4 171.2 52.0 43.9 -48.8 43.0 20.9 93 91 A M - 0 0 33 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.588 37.0 -99.8 -87.7 149.9 -47.5 39.8 22.5 94 92 A P > - 0 0 29 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.225 52.5 -81.8 -64.6 155.8 -48.1 36.4 20.9 95 93 A N T 3 S+ 0 0 144 1,-0.2 0, 0.0 -24,-0.0 0, 0.0 -0.262 115.1 21.5 -57.9 142.3 -50.9 34.2 22.2 96 94 A H T 3 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -18,-0.2 0.455 80.2 158.7 77.5 3.4 -50.1 32.2 25.3 97 95 A T < - 0 0 17 -3,-1.7 2,-0.6 -20,-0.1 -1,-0.2 -0.264 40.4-128.3 -50.9 141.3 -47.2 34.5 26.4 98 96 A H E -f 79 0A 71 -20,-2.7 -18,-2.5 2,-0.0 2,-0.9 -0.903 14.6-157.8-102.2 118.1 -46.7 34.1 30.1 99 97 A F E -f 80 0A 108 -2,-0.6 -18,-0.2 -20,-0.2 2,-0.2 -0.854 22.8-159.3 -93.2 106.4 -46.6 37.3 32.1 100 98 A V E -f 81 0A 8 -20,-2.5 -18,-2.8 -2,-0.9 -17,-0.3 -0.555 9.6-163.0 -93.8 154.4 -44.7 36.3 35.2 101 99 A Q > - 0 0 99 -2,-0.2 3,-2.4 -20,-0.2 14,-0.2 -0.823 41.1 -57.9-128.4 169.0 -44.6 38.0 38.6 102 100 A H T 3 S+ 0 0 90 -2,-0.3 14,-0.2 1,-0.3 -1,-0.1 -0.118 121.9 13.5 -45.1 132.6 -42.5 38.0 41.7 103 101 A N T 3 S+ 0 0 93 12,-3.0 -1,-0.3 1,-0.3 13,-0.1 0.327 87.7 137.8 79.0 -7.5 -42.2 34.4 43.2 104 102 A D < - 0 0 67 -3,-2.4 11,-2.9 11,-0.1 2,-0.4 -0.390 46.1-139.7 -64.0 148.7 -43.5 32.6 40.1 105 103 A D E -G 114 0B 62 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.941 13.3-164.6-113.0 138.2 -41.6 29.5 39.3 106 104 A I E -G 113 0B 5 7,-2.9 7,-2.6 -2,-0.4 2,-0.5 -0.988 8.5-153.5-120.1 128.9 -40.7 28.4 35.8 107 105 A Y E -G 112 0B 109 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.907 11.7-170.4-107.1 130.6 -39.5 24.9 35.2 108 106 A V E > S-G 111 0B 0 3,-2.3 3,-2.5 -2,-0.5 2,-0.2 -0.924 76.9 -56.6-113.3 93.8 -37.3 24.0 32.2 109 107 A G T 3 S- 0 0 14 -2,-0.6 -81,-0.1 1,-0.3 -86,-0.0 -0.519 121.8 -21.9 62.2-125.9 -37.4 20.3 32.5 110 108 A N T 3 S+ 0 0 68 -2,-0.2 23,-0.4 -108,-0.2 2,-0.3 0.478 115.2 107.3 -92.3 -2.0 -36.2 19.7 36.1 111 109 A I E < -G 108 0B 1 -3,-2.5 -3,-2.3 22,-0.2 2,-0.5 -0.604 60.4-149.2 -76.8 134.8 -34.4 23.1 36.2 112 110 A K E -GH 107 131B 43 19,-2.4 19,-2.4 -2,-0.3 2,-0.5 -0.920 13.2-171.5-110.6 130.5 -36.2 25.5 38.5 113 111 A L E -GH 106 130B 0 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.5 -0.990 8.6-156.0-118.6 127.4 -36.2 29.3 37.9 114 112 A K E -GH 105 129B 49 15,-2.6 15,-3.1 -2,-0.5 2,-0.4 -0.893 16.8-133.7-103.0 128.6 -37.7 31.6 40.5 115 113 A V E - H 0 128B 0 -11,-2.9 -12,-3.0 -2,-0.5 2,-0.5 -0.692 21.5-170.1 -80.9 126.1 -38.8 35.0 39.2 116 114 A L E - H 0 127B 21 11,-2.9 11,-2.8 -2,-0.4 2,-0.6 -0.990 21.1-134.1-117.3 124.7 -37.7 37.8 41.4 117 115 A H E + H 0 126B 45 -2,-0.5 9,-0.2 9,-0.2 8,-0.1 -0.727 31.2 172.8 -76.0 118.9 -39.1 41.3 40.7 118 116 A T - 0 0 1 7,-2.3 3,-0.4 -2,-0.6 4,-0.3 -0.610 9.2-176.9-130.1 68.7 -36.0 43.6 40.8 119 117 A P + 0 0 14 0, 0.0 61,-0.3 0, 0.0 5,-0.1 -0.234 42.8 86.0 -67.8 158.0 -37.2 47.0 39.7 120 118 A G S S+ 0 0 2 2,-1.5 57,-0.2 56,-0.1 56,-0.1 -0.405 86.2 51.4 151.7 -64.8 -34.8 49.9 39.3 121 119 A H S S- 0 0 16 -3,-0.4 37,-2.7 1,-0.3 35,-0.1 0.932 138.0 -4.4 -62.4 -44.9 -33.2 49.9 35.9 122 120 A T S > S- 0 0 4 -4,-0.3 -2,-1.5 35,-0.2 3,-0.8 -0.958 75.6-116.2-141.7 155.9 -36.8 49.6 34.7 123 121 A P T 3 S+ 0 0 62 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.781 115.7 44.4 -64.9 -24.8 -40.0 49.3 36.7 124 122 A E T 3 S+ 0 0 5 -36,-0.1 -41,-0.4 -6,-0.1 -6,-0.1 0.495 80.5 137.9 -97.1 -5.5 -40.8 45.8 35.3 125 123 A S < - 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0 0 26 -4,-1.8 2,-0.3 -5,-0.4 -1,-0.1 0.060 19.3-139.1 89.9 155.8 8.3 18.8 24.8 598 257 B M - 0 0 58 1,-0.1 3,-0.1 -4,-0.1 78,-0.0 -0.829 41.5 -56.4-138.4 179.6 7.5 18.0 21.2 599 258 B N - 0 0 133 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.190 67.5 -90.0 -58.7 150.0 7.9 19.9 17.9 600 259 B L - 0 0 62 1,-0.1 2,-0.3 -181,-0.1 -1,-0.1 -0.200 51.6 -96.5 -57.0 150.1 6.3 23.2 17.5 601 260 B Y + 0 0 12 -215,-0.3 685,-0.2 -3,-0.1 -1,-0.1 -0.554 53.1 159.0 -72.3 134.0 2.8 23.2 16.2 602 261 B Q - 0 0 65 -2,-0.3 683,-0.1 683,-0.1 2,-0.0 -0.957 39.2-118.4-149.3 138.5 2.3 23.8 12.5 603 262 B P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 683,-0.1 -0.385 36.7-167.2 -69.1 162.2 -0.6 22.8 10.3 604 263 B Y - 0 0 45 679,-0.1 2,-0.2 681,-0.0 679,-0.1 -0.983 23.0 -91.3-150.3 159.8 0.2 20.4 7.5 605 264 B T - 0 0 25 -2,-0.3 2,-0.5 677,-0.2 460,-0.0 -0.456 25.3-167.4 -77.8 138.1 -1.2 19.0 4.3 606 265 B V + 0 0 9 -2,-0.2 76,-0.1 56,-0.1 75,-0.1 -0.933 21.7 169.8-125.9 102.3 -3.3 15.9 4.2 607 266 B Y - 0 0 8 -2,-0.5 76,-1.4 74,-0.3 3,-0.1 -0.498 47.0 -53.7-106.6 175.5 -3.7 14.8 0.7 608 267 B P B S-d 683 0I 41 0, 0.0 76,-0.2 0, 0.0 -1,-0.2 -0.274 71.9 -98.1 -54.9 134.1 -5.1 11.6 -0.9 609 268 B A - 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