==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-11 3TP9 . COMPND 2 MOLECULE: BETA-LACTAMASE AND RHODANESE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP. . AUTHOR K.MICHALSKA,G.CHHOR,M.E.MANDEL,J.BEARDEN,A.JOACHIMIAK,MIDWES . 945 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 81 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 5 2 6 5 3 4 5 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 6 10 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 PARALLEL BRIDGES PER LADDER . 5 5 0 4 2 0 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 . 3 0 0 4 2 1 1 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 44 0, 0.0 134,-0.2 0, 0.0 135,-0.2 0.000 360.0 360.0 360.0 1.0 33.1 16.0 36.9 2 0 A A + 0 0 35 680,-0.2 21,-2.7 1,-0.2 22,-0.6 0.802 360.0 134.4 43.4 38.4 36.6 16.7 38.4 3 1 A X E -A 22 0A 1 19,-0.2 681,-0.5 20,-0.1 2,-0.4 -0.971 42.7-152.0-120.6 136.1 36.5 13.3 40.1 4 2 A Y E +A 21 0A 16 17,-3.2 17,-2.9 -2,-0.4 2,-0.3 -0.902 18.7 167.4-114.5 133.9 39.4 10.9 40.0 5 3 A L E +A 20 0A 10 679,-1.5 2,-0.4 -2,-0.4 15,-0.2 -0.970 4.4 174.7-144.8 127.0 39.3 7.1 40.2 6 4 A R E -A 19 0A 92 13,-2.2 13,-2.7 -2,-0.3 2,-0.5 -0.998 20.0-142.9-138.1 137.4 42.1 4.7 39.5 7 5 A R E -A 18 0A 93 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.841 12.0-167.2 -99.8 121.9 42.3 0.9 39.8 8 6 A F E -A 17 0A 27 9,-3.6 9,-2.6 -2,-0.5 2,-0.4 -0.839 11.6-165.8-102.3 146.8 45.6 -0.7 41.0 9 7 A Y E -A 16 0A 61 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.999 21.6-152.1-141.6 133.0 45.9 -4.5 40.5 10 8 A D E >> -A 15 0A 55 5,-2.0 4,-2.0 -2,-0.4 5,-1.2 -0.900 10.6-164.4-101.8 102.7 48.3 -7.2 41.9 11 9 A E T 45S+ 0 0 77 -2,-0.8 -1,-0.2 1,-0.2 188,-0.0 0.857 87.4 56.4 -56.4 -35.0 48.3 -9.9 39.2 12 10 A G T 45S+ 0 0 22 1,-0.2 -1,-0.2 -3,-0.1 304,-0.1 0.946 120.7 24.7 -63.1 -52.8 49.9 -12.2 41.7 13 11 A L T 45S- 0 0 15 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.485 100.4-128.5 -88.7 -7.1 47.2 -12.0 44.4 14 12 A A T <5 + 0 0 3 -4,-2.0 185,-2.3 1,-0.2 2,-0.5 0.861 56.6 155.1 57.4 39.6 44.5 -10.9 41.9 15 13 A H E < -AB 10 198A 2 -5,-1.2 -5,-2.0 183,-0.2 2,-0.4 -0.873 32.1-157.8-110.8 124.8 43.7 -8.0 44.2 16 14 A A E +A 9 0A 2 181,-1.9 2,-0.3 -2,-0.5 -7,-0.2 -0.836 13.3 175.8-100.5 130.4 42.2 -4.7 43.1 17 15 A S E -A 8 0A 4 -9,-2.6 -9,-3.6 -2,-0.4 2,-0.4 -0.922 15.2-144.0-127.8 160.0 42.6 -1.5 45.1 18 16 A Y E -AC 7 31A 9 13,-1.6 13,-2.5 -2,-0.3 2,-0.5 -0.941 12.5-151.1-132.0 144.2 41.4 1.9 44.1 19 17 A L E -AC 6 30A 0 -13,-2.7 -13,-2.2 -2,-0.4 2,-0.4 -0.975 24.3-176.7-108.9 118.5 42.4 5.6 44.4 20 18 A V E +AC 5 29A 0 9,-2.5 9,-2.6 -2,-0.5 2,-0.3 -0.968 11.2 160.5-120.0 131.2 39.4 7.9 44.6 21 19 A G E -AC 4 28A 0 -17,-2.9 -17,-3.2 -2,-0.4 2,-0.6 -0.971 42.6-122.0-151.4 161.9 39.7 11.7 44.7 22 20 A C E > -A 3 0A 0 5,-2.4 4,-2.4 -2,-0.3 -19,-0.2 -0.928 19.6-161.5-100.4 117.5 38.2 15.2 44.2 23 21 A Q T 4 S+ 0 0 77 -21,-2.7 -20,-0.1 -2,-0.6 -1,-0.1 0.637 86.8 60.3 -78.1 -12.7 40.2 17.1 41.7 24 22 A E T 4 S+ 0 0 116 -22,-0.6 -1,-0.2 3,-0.1 86,-0.1 0.966 123.7 16.7 -71.4 -56.0 38.8 20.4 42.9 25 23 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 84,-0.1 3,-0.1 0.671 96.2-128.4 -95.9 -18.8 40.1 20.1 46.5 26 24 A G < + 0 0 11 -4,-2.4 24,-2.6 1,-0.3 -3,-0.1 0.163 57.2 142.9 93.2 -18.2 42.7 17.4 46.1 27 25 A E E + d 0 50A 75 22,-0.2 -5,-2.4 -6,-0.1 -1,-0.3 -0.340 23.5 167.4 -64.0 129.7 41.3 15.2 48.9 28 26 A A E -Cd 21 51A 0 22,-2.3 24,-3.2 -7,-0.2 25,-0.8 -0.907 20.5-161.2-138.2 164.2 41.6 11.5 48.1 29 27 A C E -Cd 20 53A 0 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.4 -0.914 14.9-132.2-137.3 166.9 41.3 8.1 49.7 30 28 A V E -Cd 19 54A 0 23,-1.6 25,-3.3 -2,-0.3 2,-0.5 -0.984 13.3-146.4-123.6 137.1 42.4 4.6 48.9 31 29 A I E S-Cd 18 55A 2 -13,-2.5 -13,-1.6 -2,-0.4 25,-0.2 -0.899 77.8 -13.2-108.7 125.3 40.2 1.5 49.1 32 30 A D S S- 0 0 3 23,-3.6 -1,-0.2 -2,-0.5 24,-0.1 0.932 86.1-160.2 49.9 58.6 41.8 -1.8 50.2 33 31 A P - 0 0 0 0, 0.0 33,-2.2 0, 0.0 34,-0.3 -0.346 14.0-119.5 -66.5 145.7 45.4 -0.6 49.8 34 32 A A - 0 0 23 2,-0.3 31,-0.1 31,-0.2 312,-0.0 -0.232 32.2-106.1 -65.5 168.2 48.3 -3.1 49.4 35 33 A R S S+ 0 0 5 29,-0.5 2,-1.2 1,-0.1 228,-0.1 0.895 111.7 72.4 -68.3 -40.8 51.0 -2.9 52.1 36 34 A D + 0 0 49 1,-0.2 -2,-0.3 306,-0.1 4,-0.2 -0.694 63.7 174.8 -74.9 101.7 53.3 -1.3 49.6 37 35 A V >> + 0 0 2 -2,-1.2 4,-1.7 1,-0.2 3,-0.8 0.456 49.0 99.7 -89.9 -2.8 51.7 2.1 49.5 38 36 A E H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 76.9 55.9 -57.5 -41.1 54.3 3.8 47.3 39 37 A P H 3> S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.823 109.3 48.0 -57.8 -35.8 52.3 3.5 44.0 40 38 A Y H <> S+ 0 0 6 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.883 113.7 45.4 -69.7 -41.8 49.3 5.3 45.6 41 39 A L H X S+ 0 0 36 -4,-1.7 4,-1.9 2,-0.2 -1,-0.1 0.875 114.2 49.4 -72.3 -38.5 51.5 8.2 47.0 42 40 A L H X S+ 0 0 84 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.925 113.6 44.8 -64.3 -48.3 53.3 8.5 43.8 43 41 A T H X S+ 0 0 6 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.909 112.0 53.2 -65.9 -42.7 50.1 8.6 41.7 44 42 A A H X>S+ 0 0 4 -4,-2.7 5,-3.7 2,-0.2 4,-0.5 0.881 109.2 49.2 -56.5 -41.1 48.5 11.1 44.1 45 43 A K H ><5S+ 0 0 183 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.941 111.4 47.9 -68.2 -47.1 51.5 13.4 43.8 46 44 A R H 3<5S+ 0 0 182 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.810 116.1 45.6 -62.1 -30.0 51.5 13.3 40.0 47 45 A E H 3<5S- 0 0 35 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.427 114.9-111.6 -96.8 0.3 47.7 14.0 40.0 48 46 A G T <<5S+ 0 0 59 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.832 73.1 133.8 72.6 33.0 47.7 16.8 42.6 49 47 A L < - 0 0 14 -5,-3.7 2,-0.4 -6,-0.2 -1,-0.3 -0.795 44.8-152.9-110.3 155.7 45.9 14.7 45.2 50 48 A R E -d 27 0A 152 -24,-2.6 -22,-2.3 -2,-0.3 2,-0.5 -0.994 20.9-130.0-126.4 126.4 46.6 14.1 48.8 51 49 A I E +d 28 0A 4 -2,-0.4 -22,-0.2 -24,-0.2 3,-0.1 -0.643 32.3 168.0 -79.5 123.3 45.4 10.9 50.4 52 50 A V E + 0 0 30 -24,-3.2 25,-2.3 -2,-0.5 2,-0.3 0.546 59.6 25.1-111.6 -17.5 43.5 11.6 53.6 53 51 A A E -de 29 77A 1 -25,-0.8 -23,-1.6 23,-0.3 2,-0.4 -0.988 55.5-147.0-151.7 153.7 41.9 8.2 54.4 54 52 A A E -de 30 78A 0 23,-2.8 25,-3.1 -2,-0.3 2,-0.5 -0.994 20.9-156.8-126.2 122.0 42.4 4.5 53.9 55 53 A L E -de 31 79A 0 -25,-3.3 -23,-3.6 -2,-0.4 2,-0.5 -0.860 5.6-163.9-106.2 129.3 39.3 2.3 53.6 56 54 A E - 0 0 4 23,-2.2 25,-0.4 -2,-0.5 3,-0.1 -0.953 9.3-165.8-105.6 129.5 39.1 -1.4 54.3 57 55 A T S S- 0 0 1 -2,-0.5 70,-2.6 1,-0.3 2,-0.3 0.804 76.0 -16.7 -77.9 -32.0 36.1 -3.3 53.0 58 56 A H S S- 0 0 3 68,-0.2 2,-1.0 64,-0.0 -1,-0.3 -0.986 79.6 -80.2-161.4 164.8 37.1 -6.2 55.3 59 57 A I - 0 0 2 -2,-0.3 2,-0.1 -3,-0.1 194,-0.1 -0.658 63.3-131.6 -69.3 104.1 39.8 -7.8 57.4 60 58 A H - 0 0 0 -2,-1.0 196,-0.3 1,-0.1 5,-0.1 -0.328 25.1-167.7 -73.0 141.3 41.7 -9.5 54.5 61 59 A A S S+ 0 0 0 1,-0.1 191,-0.3 191,-0.1 192,-0.2 0.535 82.4 48.5 -99.5 -13.5 42.7 -13.1 54.5 62 60 A D S S+ 0 0 7 1,-0.2 2,-0.3 190,-0.1 -1,-0.1 0.508 114.5 14.2-114.7 -7.8 45.1 -13.2 51.5 63 61 A F S S- 0 0 2 186,-0.1 2,-0.5 284,-0.0 284,-0.2 -0.986 79.2 -90.8-157.8 169.0 47.4 -10.2 52.0 64 62 A V - 0 0 1 282,-2.7 -29,-0.5 -2,-0.3 2,-0.2 -0.715 44.0-126.9 -83.5 125.4 48.6 -7.6 54.5 65 63 A S - 0 0 2 -2,-0.5 4,-0.3 187,-0.2 3,-0.3 -0.515 5.8-148.1 -70.4 139.5 46.5 -4.4 54.4 66 64 A G > + 0 0 0 -33,-2.2 4,-2.8 -2,-0.2 5,-0.2 0.113 68.3 108.7 -93.9 21.6 48.4 -1.1 53.9 67 65 A A H > S+ 0 0 0 -34,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.981 84.5 40.4 -57.4 -57.1 46.0 0.9 56.0 68 66 A R H > S+ 0 0 60 -3,-0.3 4,-3.1 1,-0.2 5,-0.3 0.933 113.4 55.2 -59.1 -44.2 48.4 1.4 58.8 69 67 A E H > S+ 0 0 7 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.928 112.3 43.2 -53.8 -45.5 51.2 1.9 56.3 70 68 A X H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-1.2 0.870 110.3 56.3 -68.3 -39.3 49.2 4.7 54.8 71 69 A A H X S+ 0 0 6 -4,-3.1 4,-0.8 4,-0.2 -2,-0.2 0.918 115.5 38.5 -55.9 -45.4 48.2 6.0 58.2 72 70 A D H < S+ 0 0 86 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 122.1 40.0 -71.1 -44.6 51.9 6.3 59.1 73 71 A R H < S+ 0 0 119 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.713 131.4 21.2 -88.2 -24.0 53.2 7.5 55.7 74 72 A A H < S- 0 0 31 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.376 99.9-116.6-119.4 0.6 50.5 10.0 54.6 75 73 A G < + 0 0 50 -4,-0.8 -4,-0.2 -5,-0.4 -3,-0.2 0.809 59.5 165.3 65.7 31.3 48.9 10.8 58.0 76 74 A A - 0 0 0 -6,-1.2 2,-0.4 -9,-0.1 -23,-0.3 -0.369 40.9-108.7 -83.5 158.8 45.7 9.2 56.7 77 75 A A E -e 53 0A 21 -25,-2.3 -23,-2.8 19,-0.1 2,-0.7 -0.701 27.4-128.4 -84.8 134.8 42.6 8.2 58.8 78 76 A I E -ef 54 98A 0 19,-2.1 21,-2.3 -2,-0.4 2,-0.6 -0.773 26.6-166.8 -87.1 117.6 42.1 4.4 59.1 79 77 A C E +ef 55 99A 2 -25,-3.1 -23,-2.2 -2,-0.7 2,-0.3 -0.912 20.0 153.5-118.6 108.0 38.5 3.8 58.1 80 78 A V E - f 0 100A 1 19,-2.1 21,-2.4 -2,-0.6 -23,-0.1 -0.947 45.8 -87.1-141.3 150.0 37.2 0.3 59.0 81 79 A S E - f 0 101A 7 -25,-0.4 9,-0.5 -2,-0.3 21,-0.2 -0.229 24.8-176.6 -56.9 137.7 34.0 -1.6 59.7 82 80 A D + 0 0 32 19,-2.5 -1,-0.1 7,-0.1 20,-0.1 -0.047 64.7 94.4-117.2 26.2 32.8 -1.6 63.3 83 81 A E + 0 0 58 42,-0.3 43,-0.1 18,-0.1 6,-0.1 0.566 61.1 96.5 -96.5 -11.1 29.9 -3.9 62.5 84 82 A G S S- 0 0 8 4,-0.3 5,-0.0 41,-0.2 41,-0.0 -0.137 84.7 -90.2 -68.7 170.1 31.7 -7.2 63.3 85 83 A P > - 0 0 43 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.272 54.2 -84.5 -70.4 172.3 31.3 -9.1 66.6 86 84 A P G > S+ 0 0 111 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 0.736 128.3 57.5 -51.7 -29.4 33.8 -8.3 69.4 87 85 A E G 3 S+ 0 0 102 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.418 104.4 51.3 -86.3 0.0 36.4 -10.8 68.0 88 86 A W G < S+ 0 0 23 -3,-2.3 2,-0.4 -6,-0.0 -4,-0.3 -0.408 80.1 124.5-131.3 58.4 36.6 -9.0 64.6 89 87 A K < - 0 0 37 -3,-0.5 2,-1.6 -6,-0.1 3,-0.1 -0.976 57.4-141.3-120.8 128.8 37.2 -5.5 65.8 90 88 A S > + 0 0 4 -9,-0.5 3,-1.3 -2,-0.4 4,-0.3 -0.492 34.2 163.3 -89.2 69.4 40.2 -3.5 64.6 91 89 A E G > + 0 0 100 -2,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.521 60.3 75.1 -70.1 -3.8 40.9 -1.8 67.9 92 90 A Y G > S+ 0 0 32 165,-0.6 3,-1.8 1,-0.2 -1,-0.2 0.790 79.6 71.9 -75.8 -27.6 44.5 -0.8 66.9 93 91 A V G X S+ 0 0 0 -3,-1.3 3,-2.7 1,-0.3 -15,-0.2 0.742 76.9 80.5 -61.3 -23.3 43.2 2.0 64.6 94 92 A K G < S+ 0 0 111 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.767 82.2 64.1 -57.5 -24.5 42.3 4.0 67.8 95 93 A A G < S+ 0 0 90 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.441 107.7 48.2 -76.4 -2.5 46.0 5.0 68.1 96 94 A Y S < S- 0 0 46 -3,-2.7 2,-0.2 -18,-0.1 -19,-0.1 -0.847 108.4 -78.7-123.8 165.4 45.5 6.9 64.7 97 95 A P S S+ 0 0 80 0, 0.0 -19,-2.1 0, 0.0 2,-0.3 -0.562 76.1 153.4 -57.9 137.0 43.1 9.3 63.3 98 96 A H E -f 78 0A 67 -21,-0.3 2,-0.4 -2,-0.2 -19,-0.2 -0.987 45.1-133.8-167.0 155.9 40.4 6.8 62.3 99 97 A R E -f 79 0A 92 -21,-2.3 -19,-2.1 -2,-0.3 2,-1.0 -0.993 9.9-152.8-128.3 125.6 36.7 6.1 61.7 100 98 A L E -f 80 0A 41 -2,-0.4 -19,-0.2 -21,-0.2 2,-0.1 -0.828 33.9-144.8 -94.6 99.0 34.8 3.1 63.1 101 99 A L E -f 81 0A 0 -21,-2.4 -19,-2.5 -2,-1.0 2,-0.3 -0.363 21.7-173.6 -81.1 143.0 32.2 2.8 60.5 102 100 A K > - 0 0 86 -21,-0.2 3,-2.0 -2,-0.1 14,-0.2 -0.863 44.4 -75.1-120.2 162.0 28.6 1.7 60.8 103 101 A D T 3 S+ 0 0 74 -2,-0.3 14,-0.2 1,-0.3 3,-0.1 -0.288 119.3 21.1 -54.5 134.9 25.9 1.0 58.1 104 102 A G T 3 S+ 0 0 43 12,-3.5 -1,-0.3 1,-0.3 13,-0.1 0.410 90.3 135.8 83.5 -1.6 24.6 4.3 56.6 105 103 A D < - 0 0 47 -3,-2.0 11,-3.9 11,-0.2 2,-0.4 -0.416 42.2-144.9 -74.7 158.7 27.7 6.3 57.6 106 104 A E E -G 115 0B 72 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.946 11.7-158.5-130.4 145.6 29.2 8.7 55.1 107 105 A L E -G 114 0B 6 7,-2.6 7,-2.5 -2,-0.4 2,-0.5 -0.996 13.0-159.7-123.8 128.9 32.7 9.8 54.3 108 106 A H E +G 113 0B 114 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.947 16.7 173.1-116.8 120.8 33.1 13.1 52.4 109 107 A F E > -G 112 0B 15 3,-3.0 3,-2.4 -2,-0.5 -83,-0.1 -0.868 69.6 -64.7-124.4 94.7 36.3 13.9 50.5 110 108 A G T 3 S- 0 0 33 -2,-0.5 -1,-0.2 1,-0.3 -82,-0.0 -0.406 120.1 -13.5 58.2-135.5 35.6 17.2 48.7 111 109 A N T 3 S+ 0 0 39 -109,-0.2 23,-2.9 -3,-0.1 2,-0.6 0.549 116.0 106.3 -71.1 -6.7 32.9 16.4 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53.1-140.6 -76.1 146.7 41.8 15.4 25.3 677 201 B A T 3 S+ 0 0 27 1,-0.2 -1,-0.1 -190,-0.2 -189,-0.1 0.538 92.9 83.7 -81.4 -7.2 41.2 18.0 22.6 678 202 B C T 3 S+ 0 0 0 38,-0.1 -47,-2.0 -48,-0.1 2,-0.3 0.454 103.0 16.7 -72.8 0.5 38.6 15.7 21.1 679 203 B G S < S- 0 0 3 -3,-0.8 3,-0.1 -49,-0.2 -49,-0.1 -0.966 73.4-115.9-162.8 175.9 35.9 17.0 23.6 680 204 B K S S+ 0 0 72 -51,-0.4 -1,-0.1 -2,-0.3 -50,-0.1 0.797 97.1 4.4 -98.6 -28.8 35.1 19.9 26.0 681 205 B A S S+ 0 0 60 -52,-0.2 -1,-0.2 -7,-0.0 -7,-0.1 -0.356 73.2 176.8-157.3 70.5 34.9 18.4 29.5 682 206 B L - 0 0 19 -6,-0.2 -680,-0.2 -9,-0.2 2,-0.2 -0.349 31.8-100.2 -79.5 158.5 35.8 14.6 29.8 683 207 B G - 0 0 5 -57,-1.3 -9,-1.9 2,-0.2 -57,-0.1 -0.492 2.4-143.9 -86.3 145.6 36.0 12.7 33.0 684 208 B A S S+ 0 0 17 -681,-0.5 -679,-1.5 -2,-0.2 -1,-0.1 0.149 84.8 93.3 -83.1 15.0 39.0 11.7 35.2 685 209 B V S S- 0 0 2 -681,-0.2 -2,-0.2 -59,-0.1 -59,-0.1 -0.966 79.1-138.4-110.2 124.9 37.0 8.5 35.8 686 210 B P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.722 73.7 8.2 -64.5 -26.1 37.9 5.8 33.3 687 211 B S - 0 0 14 -18,-0.1 -18,-0.2 -62,-0.0 2,-0.1 -0.983 53.7-179.3-151.4 159.4 34.4 4.4 32.5 688 212 B S E -I 668 0J 1 -20,-1.6 -20,-2.1 -2,-0.3 2,-0.3 -0.424 26.4-108.7-132.7-149.1 30.6 4.9 33.0 689 213 B T E > -I 667 0J 0 -22,-0.3 4,-2.8 -2,-0.1 3,-0.3 -0.989 25.3-112.4-154.1 149.1 27.4 3.2 32.1 690 214 B V H > S+ 0 0 0 -24,-2.3 4,-2.0 -2,-0.3 -26,-0.2 0.875 118.9 51.4 -51.1 -42.1 24.5 3.9 29.7 691 215 B G H > S+ 0 0 1 -27,-2.1 4,-1.3 -25,-0.3 -1,-0.3 0.903 111.0 45.2 -62.3 -44.1 22.2 4.4 32.7 692 216 B Y H > S+ 0 0 10 -28,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.921 112.7 50.0 -69.9 -42.9 24.5 6.9 34.5 693 217 B E H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 7,-0.3 0.890 105.3 57.8 -65.3 -37.0 25.2 9.0 31.4 694 218 B K H < S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.889 114.5 39.2 -58.7 -36.2 21.5 9.2 30.7 695 219 B L H < S+ 0 0 96 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.907 133.4 17.5 -79.9 -39.4 21.1 10.8 34.1 696 220 B V H < S+ 0 0 26 -4,-2.8 2,-0.3 -5,-0.1 -3,-0.2 0.680 88.4 104.0-112.8 -23.9 24.2 13.0 34.3 697 221 B N >< - 0 0 0 -4,-2.3 3,-1.2 -5,-0.3 4,-0.3 -0.508 62.5-140.9 -71.6 126.8 25.7 13.6 30.8 698 222 B W G > S+ 0 0 66 -71,-0.4 3,-1.4 -2,-0.3 4,-0.3 0.841 98.2 58.4 -57.2 -36.4 24.9 17.1 29.6 699 223 B A G > S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.778 100.6 56.1 -66.9 -28.7 24.4 16.0 26.0 700 224 B L G < S+ 0 0 11 -3,-1.2 -1,-0.3 -7,-0.3 -2,-0.2 0.393 94.4 66.4 -88.5 1.9 21.7 13.5 26.9 701 225 B Q G < S+ 0 0 101 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.528 79.4 101.6 -95.8 -9.9 19.4 16.1 28.6 702 226 B H < + 0 0 51 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.574 36.8 170.0 -79.3 134.9 18.7 17.9 25.3 703 227 B K + 0 0 197 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.580 62.3 74.7-115.4 -19.1 15.4 17.3 23.5 704 228 B D > - 0 0 92 1,-0.2 4,-2.0 2,-0.0 -1,-0.1 -0.873 63.3-159.2 -97.0 122.8 15.7 20.1 20.9 705 229 B E H > S+ 0 0 36 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.920 93.5 53.4 -65.0 -46.6 18.1 19.3 18.1 706 230 B D H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.951 111.7 46.3 -51.6 -51.6 18.5 23.0 17.1 707 231 B A H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 111.0 53.2 -60.7 -37.7 19.3 23.8 20.8 708 232 B F H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.947 103.9 53.5 -66.5 -49.9 21.8 20.9 21.0 709 233 B V H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.945 109.5 52.3 -45.7 -50.6 23.7 21.9 17.9 710 234 B Q H X S+ 0 0 149 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.911 112.5 42.7 -49.8 -53.4 24.1 25.3 19.6 711 235 B A H < S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.0 52.8 -64.3 -43.7 25.4 23.8 22.8 712 236 B L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.4 45.1 -65.4 -39.3 27.7 21.3 21.1 713 237 B L H >< S+ 0 0 55 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.771 97.1 86.8 -80.2 -27.6 29.5 23.9 18.9 714 238 B A T 3< S+ 0 0 58 -4,-1.4 0, 0.0 -5,-0.3 0, 0.0 -0.467 96.2 6.8 -70.0 142.0 30.1 26.5 21.6 715 239 B G T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.511 79.3 150.0 72.0 10.7 33.2 26.3 23.9 716 240 B Q < - 0 0 22 -3,-0.7 -1,-0.2 1,-0.1 -36,-0.1 -0.487 51.3-102.3 -72.7 146.7 35.1 23.4 22.2 717 241 B P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 -0.074 47.4 -78.4 -62.1 168.0 38.9 23.6 22.5 718 242 B E - 0 0 81 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.303 46.1-115.2 -62.1 151.8 41.2 24.8 19.7 719 243 B A - 0 0 21 -3,-0.1 -1,-0.1 -86,-0.1 -41,-0.0 -0.841 29.0-125.2 -92.5 112.0 42.0 22.3 16.9 720 244 B P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.325 16.5-127.6 -57.3 137.7 45.7 21.4 17.0 721 245 B I T > S+ 0 0 117 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.784 104.5 64.2 -61.2 -29.0 47.1 22.0 13.5 722 246 B Y T 3> S+ 0 0 16 71,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.580 78.1 85.2 -73.7 -8.8 48.6 18.5 13.3 723 247 B F H <> S+ 0 0 4 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.869 82.7 60.5 -59.5 -35.4 45.2 17.0 13.4 724 248 B A H <> S+ 0 0 38 -3,-1.0 4,-1.5 -4,-0.3 -1,-0.2 0.922 103.7 50.1 -55.8 -46.1 45.0 17.4 9.6 725 249 B R H > S+ 0 0 53 -4,-0.4 4,-2.9 -3,-0.3 -1,-0.2 0.868 108.5 52.6 -60.1 -42.5 48.0 15.2 9.2 726 250 B X H X S+ 0 0 0 -4,-1.5 4,-2.9 -191,-0.4 5,-0.3 0.891 104.4 53.7 -62.8 -46.2 46.6 12.4 11.4 727 251 B K H X S+ 0 0 7 -4,-2.0 4,-1.4 -192,-0.3 -1,-0.2 0.932 115.3 43.2 -54.7 -43.0 43.3 12.2 9.5 728 252 B L H X S+ 0 0 102 -4,-1.5 4,-3.2 -5,-0.2 5,-0.3 0.974 114.9 46.9 -65.1 -57.3 45.4 11.7 6.3 729 253 B V H X S+ 0 0 34 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.885 116.1 44.7 -53.7 -46.2 47.9 9.3 7.8 730 254 B N H < S+ 0 0 0 -4,-2.9 -1,-0.2 -196,-0.3 -2,-0.2 0.759 115.2 48.8 -73.6 -26.9 45.3 7.1 9.4 731 255 B K H < S+ 0 0 69 -4,-1.4 -165,-0.5 -5,-0.3 -2,-0.2 0.954 120.3 34.4 -72.6 -53.3 43.1 7.1 6.3 732 256 B V H < S- 0 0 78 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.691 123.5 -88.7 -80.6 -23.1 45.9 6.2 3.9 733 257 B G < - 0 0 13 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.437 39.3-109.7 113.1 110.4 48.0 3.9 6.1 734 258 B P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.256 37.9 -96.7 -67.5 153.6 50.8 5.0 8.4 735 259 B R - 0 0 131 1,-0.1 2,-0.4 2,-0.1 -192,-0.1 -0.413 47.0-106.8 -63.2 142.3 54.4 4.2 7.7 736 260 B L >> - 0 0 18 1,-0.1 3,-2.8 -2,-0.1 4,-1.0 -0.623 17.4-128.4 -80.1 127.7 55.5 1.0 9.6 737 261 B L H 3> S+ 0 0 41 -2,-0.4 4,-2.0 1,-0.3 -1,-0.1 0.751 111.0 58.2 -44.4 -32.6 57.8 1.6 12.6 738 262 B A H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.831 100.5 56.8 -66.0 -32.4 60.2 -0.9 11.1 739 263 B E H <4 S+ 0 0 102 -3,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.795 111.1 42.0 -70.8 -30.7 60.5 1.1 7.9 740 264 B L H < S- 0 0 51 -4,-1.0 -2,-0.2 -3,-0.1 -1,-0.2 0.889 100.4-167.9 -77.7 -45.3 61.7 4.2 9.8 741 265 B G < - 0 0 28 -4,-2.0 -2,-0.1 -5,-0.2 -1,-0.1 -0.188 29.0 -31.9 81.8-173.4 64.0 2.2 12.0 742 266 B A - 0 0 96 -4,-0.1 2,-0.4 1,-0.1 -4,-0.0 -0.596 51.9-124.6 -85.8 130.3 65.8 3.1 15.2 743 267 B P - 0 0 20 0, 0.0 85,-0.2 0, 0.0 2,-0.2 -0.649 37.7-127.9 -63.4 126.8 67.2 6.6 15.9 744 268 B E E -k 828 0L 122 83,-1.1 85,-1.9 -2,-0.4 2,-0.8 -0.518 11.0-118.1 -80.5 147.6 70.8 5.9 16.6 745 269 B R E -k 829 0L 101 83,-0.2 2,-0.2 -2,-0.2 85,-0.2 -0.794 37.8-162.3 -85.2 108.4 72.6 7.2 19.8 746 270 B V - 0 0 25 83,-2.3 2,-0.5 -2,-0.8 85,-0.2 -0.616 18.9-128.5 -90.7 147.0 75.2 9.6 18.5 747 271 B D - 0 0 120 -2,-0.2 83,-0.1 83,-0.1 5,-0.0 -0.862 25.6-162.7 -83.5 131.4 78.3 10.8 20.4 748 272 B L - 0 0 13 -2,-0.5 5,-0.0 83,-0.1 82,-0.0 -0.725 10.2-179.9-122.4 81.5 78.2 14.6 20.1 749 273 B P >> - 0 0 46 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.465 49.0 -97.7 -70.3 157.9 81.6 16.2 21.0 750 274 B P G >4 S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.747 122.8 65.2 -50.5 -30.7 81.8 20.1 20.7 751 275 B E G 34 S+ 0 0 156 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.883 103.4 43.3 -56.1 -43.5 83.3 19.6 17.3 752 276 B R G <> S+ 0 0 164 -3,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.553 89.0 92.4 -85.8 -7.3 80.2 18.1 15.8 753 277 B V H S+ 0 0 100 -4,-0.4 4,-3.6 -3,-0.3 5,-0.3 0.938 110.5 48.8 -64.2 -50.1 77.2 23.1 14.6 755 279 B A H > S+ 0 0 74 -4,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.762 113.4 50.9 -58.1 -26.7 76.7 20.7 11.7 756 280 B W H < S+ 0 0 16 -4,-1.1 4,-0.4 -3,-0.2 -2,-0.2 0.854 111.8 45.3 -76.4 -41.7 74.1 19.0 14.0 757 281 B R H >< S+ 0 0 55 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.903 117.0 45.0 -65.7 -45.6 72.4 22.3 14.7 758 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