==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-09 3JW8 . COMPND 2 MOLECULE: MGLL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.BERTRAND,F.AUGE,J.HOUTMANN,A.RAK,F.VALLEE,V.MIKOL,P.F.BERN . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 27 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 31.2 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+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 0 0 0 0 1 3 2 0 2 2 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 PARALLEL BRIDGES PER LADDER . 3 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 16 A S 0 0 160 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 143.8 31.0 -21.1 24.8 2 17 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.415 360.0-104.3 -66.0 143.7 32.1 -17.6 25.9 3 18 A R - 0 0 112 7,-0.1 8,-2.4 -2,-0.0 9,-0.5 -0.499 44.5-163.6 -65.8 141.4 30.0 -14.7 24.4 4 19 A R B -A 10 0A 124 6,-0.3 20,-0.1 -2,-0.2 4,-0.0 -0.923 22.2-104.4-127.3 157.3 31.9 -13.0 21.6 5 20 A T > - 0 0 4 4,-3.1 3,-2.4 -2,-0.3 73,-0.1 -0.219 46.9 -98.6 -67.7 165.5 31.6 -9.7 19.8 6 21 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 71,-0.1 0.675 130.1 56.5 -61.5 -15.6 30.1 -9.9 16.2 7 22 A Q T 3 S- 0 0 76 2,-0.1 -2,-0.1 70,-0.1 70,-0.1 0.149 125.1-106.9 -96.5 11.9 33.8 -9.8 15.0 8 23 A S S < S+ 0 0 76 -3,-2.4 0, 0.0 1,-0.2 0, 0.0 0.610 72.6 137.6 75.3 21.1 34.5 -13.0 17.2 9 24 A I - 0 0 71 68,-0.1 -4,-3.1 2,-0.0 -1,-0.2 -0.852 59.7-114.3 -93.7 131.8 36.5 -11.5 20.1 10 25 A P B > -A 4 0A 22 0, 0.0 3,-1.5 0, 0.0 -6,-0.3 -0.363 15.3-133.8 -59.3 140.2 35.4 -12.9 23.5 11 26 A Y G > S+ 0 0 1 -8,-2.4 3,-1.9 1,-0.3 -7,-0.1 0.809 103.9 71.4 -67.5 -24.2 33.8 -10.2 25.7 12 27 A Q G 3 S+ 0 0 155 -9,-0.5 -1,-0.3 1,-0.3 -8,-0.1 0.794 95.3 52.4 -62.9 -19.9 36.0 -11.5 28.5 13 28 A D G < S+ 0 0 106 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.528 111.0 56.1 -87.4 -4.9 39.1 -9.9 26.7 14 29 A L S < S- 0 0 31 -3,-1.9 2,-0.1 -4,-0.2 14,-0.1 -0.912 92.1 -97.6-130.4 153.6 37.3 -6.4 26.4 15 30 A P + 0 0 68 0, 0.0 12,-2.1 0, 0.0 2,-0.3 -0.466 63.2 148.8 -68.6 135.2 35.7 -3.8 28.6 16 31 A H E -B 26 0B 76 10,-0.3 2,-0.3 -2,-0.1 10,-0.2 -0.967 36.5-151.1-154.8 174.8 32.0 -4.4 28.5 17 32 A L E -B 25 0B 24 8,-1.7 8,-2.8 -2,-0.3 2,-0.5 -0.947 22.0-125.9-147.0 160.9 28.6 -4.2 30.3 18 33 A V E -B 24 0B 62 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.974 29.2-143.0-112.5 123.3 25.4 -6.4 30.0 19 34 A N > - 0 0 7 4,-2.8 3,-2.1 -2,-0.5 75,-0.0 -0.128 33.8 -88.3 -76.7 177.3 22.2 -4.3 29.3 20 35 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.671 127.5 56.2 -65.7 -17.6 18.6 -4.9 30.8 21 36 A D T 3 S- 0 0 88 2,-0.1 -1,-0.3 69,-0.1 -2,-0.0 0.268 122.5-105.0 -92.4 4.0 17.8 -7.2 27.8 22 37 A G S < S+ 0 0 35 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.646 75.8 139.0 79.5 20.7 20.8 -9.4 28.5 23 38 A Q - 0 0 51 56,-0.1 -4,-2.8 55,-0.0 2,-0.3 -0.792 52.3-122.9-101.0 141.7 22.9 -8.1 25.6 24 39 A Y E -B 18 0B 54 -2,-0.4 55,-2.6 -6,-0.2 2,-0.5 -0.603 22.9-162.9 -80.3 129.6 26.7 -7.3 25.9 25 40 A L E -B 17 0B 0 -8,-2.8 -8,-1.7 -2,-0.3 2,-0.2 -0.972 19.5-126.1-111.2 133.1 27.8 -3.8 25.0 26 41 A F E -B 16 0B 10 -2,-0.5 45,-2.3 -10,-0.2 2,-0.3 -0.552 30.4-155.0 -74.5 134.6 31.4 -3.0 24.2 27 42 A C E -C 70 0C 0 -12,-2.1 2,-0.3 43,-0.2 43,-0.3 -0.824 10.2-162.6-116.3 153.7 32.7 -0.2 26.4 28 43 A R E -C 69 0C 53 41,-2.5 41,-1.9 -2,-0.3 2,-0.3 -0.996 7.4-171.4-139.9 134.7 35.5 2.3 25.9 29 44 A Y E -C 68 0C 96 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.974 17.4-171.6-131.3 146.7 37.3 4.5 28.6 30 45 A W E -C 67 0C 15 37,-2.6 37,-2.5 -2,-0.3 -2,-0.0 -0.920 22.3-174.9-134.3 94.7 39.8 7.4 28.5 31 46 A K - 0 0 106 -2,-0.4 35,-0.1 35,-0.2 30,-0.1 -0.877 19.3-131.9-100.6 124.7 40.9 7.9 32.1 32 47 A P - 0 0 8 0, 0.0 30,-0.1 0, 0.0 34,-0.0 -0.297 23.8-113.6 -69.6 164.0 43.2 10.8 33.0 33 48 A T S S+ 0 0 159 2,-0.1 -2,-0.0 -2,-0.0 0, 0.0 0.926 96.0 43.7 -66.7 -40.3 46.2 10.2 35.3 34 49 A G S S- 0 0 40 1,-0.2 30,-0.0 0, 0.0 0, 0.0 0.011 114.7 -55.5 -88.1-164.6 45.0 12.2 38.3 35 50 A T - 0 0 130 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.603 66.3-119.0 -71.5 122.9 41.6 12.6 40.0 36 51 A P - 0 0 5 0, 0.0 29,-0.2 0, 0.0 3,-0.1 -0.404 8.7-145.4 -67.9 149.8 39.1 13.6 37.1 37 52 A K S S- 0 0 81 27,-2.9 2,-0.3 1,-0.2 253,-0.3 0.649 78.4 -16.2 -82.0 -22.3 37.2 16.9 37.4 38 53 A A E -d 65 0C 0 26,-0.7 28,-2.6 71,-0.2 2,-0.3 -0.972 65.9-109.8-168.8 171.4 34.1 15.4 35.8 39 54 A L E -de 66 111C 0 71,-2.6 73,-2.8 -2,-0.3 2,-0.4 -0.872 24.0-168.3-110.8 151.7 32.7 12.5 33.7 40 55 A I E -de 67 112C 0 26,-2.2 28,-2.5 -2,-0.3 2,-0.5 -0.981 9.6-151.9-145.6 121.7 31.6 12.7 30.0 41 56 A F E -de 68 113C 2 71,-2.2 73,-2.3 -2,-0.4 2,-0.5 -0.853 12.8-147.3 -88.0 130.4 29.6 10.0 28.1 42 57 A V E -de 69 114C 4 26,-2.7 28,-0.6 -2,-0.5 2,-0.6 -0.886 9.5-162.7-103.9 125.8 30.2 10.0 24.4 43 58 A S E - e 0 115C 3 71,-3.0 73,-1.7 -2,-0.5 76,-0.1 -0.922 10.2-154.5-114.7 104.4 27.1 8.9 22.3 44 59 A H - 0 0 2 -2,-0.6 6,-0.1 26,-0.4 3,-0.1 -0.246 15.8-110.3 -74.7 175.2 28.0 7.8 18.7 45 60 A G > - 0 0 1 4,-0.2 3,-1.2 1,-0.2 27,-0.1 -0.126 47.1 -51.5 -99.6-174.8 25.6 8.0 15.6 46 61 A A T 3 S+ 0 0 38 1,-0.2 -1,-0.2 149,-0.0 3,-0.1 -0.366 119.0 0.0 -61.1 135.2 23.8 5.5 13.4 47 62 A G T 3 S+ 0 0 2 1,-0.2 149,-2.5 -3,-0.1 -1,-0.2 0.329 116.2 89.1 71.3 -9.6 25.8 2.8 11.8 48 63 A E < - 0 0 10 -3,-1.2 28,-0.4 147,-0.2 2,-0.3 -0.024 62.7-138.5-103.9-153.9 29.1 4.0 13.5 49 64 A H > - 0 0 6 26,-0.1 3,-1.2 -3,-0.1 -4,-0.2 -0.957 31.3 -90.1-162.3 168.5 30.8 3.1 16.8 50 65 A S G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.2 21,-0.0 0.676 111.0 73.6 -64.2 -21.9 32.7 4.6 19.9 51 66 A G G > S+ 0 0 18 1,-0.3 3,-1.2 2,-0.1 -1,-0.2 0.734 82.4 70.0 -66.5 -20.3 36.2 4.1 18.3 52 67 A R G < S+ 0 0 16 -3,-1.2 -1,-0.3 1,-0.2 3,-0.3 0.594 92.0 61.6 -69.3 -11.9 35.4 7.0 15.9 53 68 A Y G <> + 0 0 2 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.240 67.0 115.2-102.6 12.3 35.7 9.4 19.0 54 69 A E H <> S+ 0 0 71 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.880 78.9 40.5 -47.4 -52.4 39.4 8.6 19.8 55 70 A E H > S+ 0 0 98 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.904 116.3 48.6 -71.8 -38.8 40.8 12.1 19.1 56 71 A L H > S+ 0 0 4 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 112.5 50.5 -65.6 -41.8 38.0 14.1 20.7 57 72 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.879 108.0 51.6 -62.4 -38.2 38.2 11.8 23.8 58 73 A R H X S+ 0 0 129 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.918 109.1 51.4 -67.3 -40.0 42.0 12.3 24.1 59 74 A X H X S+ 0 0 34 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.925 113.2 45.2 -59.2 -45.5 41.4 16.1 23.9 60 75 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 3,-1.0 0.881 109.7 53.6 -68.1 -38.5 38.8 15.8 26.8 61 76 A X H ><5S+ 0 0 52 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.906 101.4 61.2 -63.5 -33.1 41.0 13.5 28.8 62 77 A G H 3<5S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.680 99.9 56.3 -61.2 -22.2 43.7 16.3 28.5 63 78 A L T <<5S- 0 0 34 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.200 127.4-102.9 -93.6 11.9 41.2 18.6 30.4 64 79 A D T < 5S+ 0 0 55 -3,-2.1 -27,-2.9 1,-0.3 -26,-0.7 0.766 76.5 138.7 69.9 30.9 41.1 16.1 33.2 65 80 A L E < - d 0 38C 0 -5,-1.6 2,-0.7 -29,-0.2 -1,-0.3 -0.853 55.2-130.0-100.0 144.7 37.7 14.5 32.3 66 81 A L E - d 0 39C 2 -28,-2.6 -26,-2.2 -2,-0.4 2,-0.4 -0.831 29.5-157.8 -91.5 114.8 37.1 10.9 32.5 67 82 A V E +Cd 30 40C 0 -37,-2.5 -37,-2.6 -2,-0.7 2,-0.3 -0.798 15.6 174.4 -98.3 135.0 35.6 10.0 29.1 68 83 A F E +Cd 29 41C 0 -28,-2.5 -26,-2.7 -2,-0.4 2,-0.3 -0.964 4.4 160.1-141.1 155.2 33.5 6.9 28.7 69 84 A A E -Cd 28 42C 0 -41,-1.9 -41,-2.5 -2,-0.3 2,-0.3 -0.963 17.9-155.8-160.1 164.4 31.4 5.4 25.9 70 85 A H E -C 27 0C 1 -28,-0.6 2,-0.5 -2,-0.3 -26,-0.4 -0.964 33.6-103.6-142.5 159.8 29.8 2.2 24.6 71 86 A D - 0 0 0 -45,-2.3 -45,-0.2 -2,-0.3 3,-0.1 -0.709 46.8-117.2 -75.0 129.2 28.8 0.9 21.2 72 87 A H > - 0 0 1 -2,-0.5 3,-1.8 -27,-0.1 6,-0.3 -0.255 45.7 -74.6 -65.0 157.3 25.0 1.2 21.1 73 88 A V T 3 S+ 0 0 5 1,-0.3 7,-0.2 -48,-0.1 -1,-0.1 -0.195 124.1 21.4 -48.5 133.5 23.0 -2.1 20.7 74 89 A G T 3 S+ 0 0 0 5,-3.0 9,-2.4 1,-0.2 2,-0.3 0.584 110.9 97.1 83.5 7.2 23.3 -3.3 17.1 75 90 A H S X S- 0 0 4 -3,-1.8 3,-2.2 4,-0.4 -1,-0.2 -0.918 83.1 -30.8-130.2 158.1 26.5 -1.3 16.4 76 91 A G T 3 S- 0 0 2 118,-0.8 -27,-0.1 -28,-0.4 -2,-0.0 -0.024 123.2 -12.5 43.7-120.9 30.3 -1.7 16.4 77 92 A Q T 3 S+ 0 0 21 -72,-0.1 -1,-0.3 -71,-0.1 2,-0.1 0.329 112.0 101.2 -94.6 4.8 31.5 -4.4 18.9 78 93 A S S < S- 0 0 0 -3,-2.2 -53,-0.2 -6,-0.3 -6,-0.1 -0.449 76.0-102.0 -86.4 165.9 28.2 -4.7 20.8 79 94 A E + 0 0 32 -55,-2.6 -5,-3.0 -2,-0.1 -4,-0.4 -0.280 68.0 83.7 -75.7 169.6 25.6 -7.5 20.3 80 95 A G S S- 0 0 25 -7,-0.2 3,-0.1 -6,-0.2 5,-0.0 0.004 85.3 -65.8 114.1 148.9 22.4 -7.3 18.4 81 96 A E S > S- 0 0 114 1,-0.1 3,-1.0 -2,-0.1 2,-0.1 -0.326 78.5 -83.0 -58.1 140.2 21.3 -7.6 14.8 82 97 A R T 3 S- 0 0 70 1,-0.2 -7,-0.2 3,-0.0 -1,-0.1 -0.318 99.6 -12.7 -56.4 127.6 22.9 -4.7 12.9 83 98 A X T 3 S+ 0 0 21 -9,-2.4 118,-0.4 1,-0.2 2,-0.3 0.848 103.0 112.9 48.9 47.5 21.1 -1.3 13.1 84 99 A V < - 0 0 24 -3,-1.0 2,-0.3 -11,-0.1 -1,-0.2 -0.981 39.0-178.1-136.8 152.5 17.8 -2.6 14.5 85 100 A V - 0 0 20 -2,-0.3 3,-0.2 1,-0.1 122,-0.1 -0.980 33.2-132.0-151.1 140.6 16.3 -1.8 17.9 86 101 A S S S- 0 0 99 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.909 97.7 -9.1 -61.0 -38.0 13.0 -3.0 19.5 87 102 A D > - 0 0 52 -3,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.960 69.1-119.2-158.5 140.4 12.3 0.6 20.5 88 103 A F T >> S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 4,-0.7 0.765 108.1 72.2 -52.4 -26.3 14.5 3.8 20.3 89 104 A H H 3> S+ 0 0 72 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.741 79.8 74.6 -66.7 -22.2 14.2 4.2 24.2 90 105 A V H <> S+ 0 0 11 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.899 94.2 52.4 -53.2 -42.7 16.5 1.1 24.7 91 106 A F H <> S+ 0 0 1 -3,-1.2 4,-1.9 -4,-0.3 -1,-0.2 0.871 111.7 44.3 -59.9 -46.0 19.5 3.4 23.6 92 107 A V H X S+ 0 0 0 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.929 113.0 51.4 -64.9 -48.0 18.5 6.0 26.3 93 108 A R H X S+ 0 0 65 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.892 111.2 48.4 -54.5 -44.3 18.0 3.3 29.0 94 109 A D H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.896 109.1 51.6 -71.4 -35.5 21.5 1.8 28.2 95 110 A V H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.930 110.7 50.5 -60.0 -45.7 23.2 5.2 28.4 96 111 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.893 108.1 52.6 -61.6 -35.1 21.5 5.7 31.8 97 112 A Q H X S+ 0 0 61 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.934 113.2 42.7 -61.8 -50.2 22.7 2.3 33.0 98 113 A H H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.914 115.3 49.5 -65.6 -44.1 26.4 3.1 32.1 99 114 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.921 111.1 50.1 -59.1 -49.5 26.1 6.7 33.5 100 115 A D H X S+ 0 0 63 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.905 112.0 48.2 -59.0 -40.5 24.6 5.3 36.9 101 116 A S H X S+ 0 0 46 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.910 113.1 47.1 -66.4 -42.1 27.5 2.7 37.1 102 117 A X H X S+ 0 0 14 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.884 110.2 52.6 -69.2 -35.7 30.2 5.3 36.5 103 118 A Q H < S+ 0 0 46 -4,-2.6 -1,-0.2 2,-0.2 6,-0.2 0.802 104.8 55.9 -67.7 -29.3 28.6 7.8 39.0 104 119 A K H < S+ 0 0 155 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.5 44.3 -67.6 -38.9 28.6 5.1 41.7 105 120 A D H < S+ 0 0 100 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.667 125.3 33.3 -76.6 -22.7 32.5 4.7 41.1 106 121 A Y S >< S- 0 0 55 -4,-1.2 3,-1.5 -5,-0.1 -1,-0.3 -0.574 83.6-169.0-132.8 67.1 33.0 8.6 41.0 107 122 A P T 3 + 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.225 68.7 18.7 -61.2 146.9 30.5 10.0 43.5 108 123 A G T 3 S+ 0 0 81 1,-0.2 -5,-0.1 -5,-0.1 0, 0.0 0.314 87.9 129.2 79.4 -10.5 30.1 13.8 43.4 109 124 A L < - 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0 0 64 -2,-0.5 3,-2.2 -3,-0.2 4,-0.6 -0.262 13.1-122.8 -52.4 133.0 12.4 40.2 17.5 518 254 B S H >> S+ 0 0 5 -5,-0.3 4,-1.5 1,-0.3 3,-0.7 0.770 106.5 75.3 -53.6 -23.6 14.6 37.0 18.0 519 255 B K H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.833 89.6 57.8 -59.7 -27.4 13.7 35.9 14.4 520 256 B G H <> S+ 0 0 3 -3,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.888 103.0 53.3 -68.7 -35.2 16.1 38.7 13.1 521 257 B A H - o 0 510C 4 -29,-2.5 -27,-2.5 -2,-0.5 3,-1.4 -0.917 23.3-132.4-109.4 104.9 18.9 34.2 26.6 539 275 B E T 3 S+ 0 0 29 -2,-0.7 3,-0.1 -288,-0.3 -29,-0.1 -0.439 85.8 0.3 -63.1 119.4 15.6 32.4 27.4 540 276 B G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 -2,-0.2 -30,-0.1 0.259 98.8 138.9 87.3 -12.4 12.9 34.8 28.7 541 277 B A < - 0 0 0 -3,-1.4 -29,-1.7 -32,-0.1 -1,-0.3 -0.342 42.0-142.6 -72.3 149.0 15.3 37.8 28.4 542 278 B Y - 0 0 74 -31,-0.1 -29,-0.3 2,-0.1 -32,-0.3 0.142 39.6 -69.4 -89.0-153.9 14.2 41.2 27.1 543 279 B H S S+ 0 0 4 -86,-1.1 2,-1.7 -31,-0.2 -84,-0.2 0.924 113.1 60.1 -73.7 -51.4 16.1 43.8 24.9 544 280 B V > + 0 0 6 -86,-2.8 3,-1.9 1,-0.2 -1,-0.2 -0.551 60.6 171.7 -88.6 77.8 19.0 45.3 26.9 545 281 B L G > S+ 0 0 0 -2,-1.7 3,-0.9 1,-0.3 11,-0.2 0.740 75.3 55.0 -56.7 -37.7 21.0 42.1 27.7 546 282 B H G 3 S+ 0 0 5 1,-0.2 -1,-0.3 10,-0.1 -2,-0.1 0.343 117.1 39.7 -78.5 2.6 24.0 43.9 29.2 547 283 B K G < S+ 0 0 31 -3,-1.9 -86,-0.3 -89,-0.1 -1,-0.2 -0.280 98.0 108.3-136.5 36.5 21.5 45.6 31.7 548 284 B E S < S- 0 0 1 -3,-0.9 -3,-0.1 1,-0.3 -84,-0.1 -0.127 83.7 -37.8-100.5-166.1 19.2 42.6 32.3 549 285 B L >> - 0 0 45 1,-0.1 4,-2.5 -2,-0.1 3,-1.0 -0.398 69.1-107.3 -54.6 142.5 18.7 40.3 35.4 550 286 B P H 3> S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.784 119.3 55.4 -47.1 -35.6 22.2 39.8 37.1 551 287 B E H 3> S+ 0 0 122 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.862 113.9 40.8 -64.3 -44.0 22.4 36.1 35.8 552 288 B V H <> S+ 0 0 3 -3,-1.0 4,-2.8 2,-0.2 3,-0.2 0.957 116.7 48.0 -66.6 -56.5 21.9 37.2 32.2 553 289 B T H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.884 112.1 50.4 -53.2 -42.6 24.2 40.4 32.5 554 290 B N H X S+ 0 0 110 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.899 112.4 45.7 -65.4 -40.7 27.0 38.3 34.1 555 291 B S H X S+ 0 0 25 -4,-1.4 4,-3.0 -3,-0.2 5,-0.3 0.912 111.7 54.1 -66.2 -43.3 26.8 35.6 31.4 556 292 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 -11,-0.2 5,-0.2 0.928 111.5 42.9 -53.3 -53.3 26.8 38.5 28.7 557 293 B F H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.914 116.3 49.4 -62.7 -41.2 30.0 40.1 30.1 558 294 B H H X S+ 0 0 73 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.912 111.3 48.3 -65.0 -45.6 31.7 36.7 30.5 559 295 B E H X S+ 0 0 27 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.884 114.2 45.8 -66.2 -36.4 30.8 35.6 26.9 560 296 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.912 111.9 53.0 -70.6 -41.2 32.1 38.8 25.4 561 297 B N H X S+ 0 0 39 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.973 113.4 41.9 -57.4 -51.0 35.2 38.6 27.6 562 298 B X H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.864 115.7 50.2 -62.4 -47.3 36.0 35.0 26.3 563 299 B W H X S+ 0 0 11 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.934 116.6 38.2 -61.8 -50.2 35.1 35.7 22.7 564 300 B V H < S+ 0 0 0 -4,-2.6 3,-0.4 2,-0.2 4,-0.4 0.886 114.7 55.4 -69.7 -40.8 37.3 38.9 22.4 565 301 B S H >< S+ 0 0 43 -4,-2.7 3,-1.2 -5,-0.3 -2,-0.2 0.947 107.7 50.2 -59.5 -44.5 40.2 37.4 24.6 566 302 B Q H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.8 45.9 -63.3 -25.5 40.4 34.3 22.2 567 303 B R T 3< S+ 0 0 56 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.326 108.6 61.1-103.9 6.9 40.6 36.6 19.1 568 304 B T < 0 0 23 -3,-1.2 -251,-0.1 -4,-0.4 -224,-0.0 -0.812 360.0 360.0-121.8 165.6 43.2 39.1 20.5 569 305 B A 0 0 117 -2,-0.3 -3,-0.0 -253,-0.2 -4,-0.0 -0.889 360.0 360.0-159.4 360.0 46.9 38.4 21.6