==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAY-06 2DPN . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.ASADA,M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL . 984 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 702 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 14.8 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 . 3 0.3 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 . 71 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 6 2 3 4 2 5 0 4 0 1 1 0 1 0 2 1 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 1 2 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 . 8 5 3 3 3 3 5 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 1 2 2 1 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 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 3 A F 0 0 58 0, 0.0 70,-2.6 0, 0.0 71,-0.8 0.000 360.0 360.0 360.0 139.8 -28.6 23.1 -29.4 2 4 A L E -Ab 17 72A 1 15,-2.6 15,-3.3 68,-0.2 2,-0.4 -0.985 360.0-153.7-115.4 122.1 -25.1 21.8 -30.0 3 5 A L E -Ab 16 73A 0 69,-1.9 71,-2.9 -2,-0.5 2,-0.4 -0.810 8.8-165.8 -99.0 133.9 -22.9 21.7 -26.8 4 6 A A E -Ab 15 74A 0 11,-2.9 11,-2.3 -2,-0.4 2,-0.6 -0.973 10.2-160.2-125.1 132.3 -19.1 21.9 -27.0 5 7 A L E -Ab 14 75A 5 69,-2.7 71,-2.2 -2,-0.4 2,-0.8 -0.932 7.6-173.1-111.9 110.1 -16.6 21.1 -24.3 6 8 A D E -Ab 13 76A 9 7,-1.2 7,-2.8 -2,-0.6 2,-1.3 -0.873 3.1-169.3-104.7 101.2 -13.2 22.7 -25.0 7 9 A Q E -Ab 12 77A 0 69,-3.0 71,-2.1 -2,-0.8 5,-0.2 -0.712 21.2-179.7 -95.7 89.1 -10.8 21.3 -22.4 8 10 A G - 0 0 13 3,-1.6 70,-0.2 -2,-1.3 68,-0.0 0.099 41.2 -97.7 -78.7-170.4 -7.8 23.6 -22.8 9 11 A T S S+ 0 0 14 1,-0.1 3,-0.1 68,-0.1 22,-0.1 0.874 119.7 24.6 -77.9 -38.3 -4.4 23.9 -21.2 10 12 A T S S+ 0 0 55 1,-0.2 21,-1.7 20,-0.1 2,-0.3 0.795 130.2 2.6 -95.7 -37.6 -5.2 26.7 -18.8 11 13 A S E - C 0 30A 9 19,-0.2 -3,-1.6 -5,-0.0 2,-0.6 -0.915 63.2-112.2-147.0 171.5 -9.0 26.2 -18.4 12 14 A S E -AC 7 29A 0 17,-2.9 17,-2.0 -2,-0.3 2,-0.2 -0.952 36.0-170.6-111.8 118.0 -12.1 24.2 -19.3 13 15 A R E -AC 6 28A 62 -7,-2.8 -7,-1.2 -2,-0.6 2,-0.3 -0.654 9.1-164.3-104.0 162.9 -14.6 26.1 -21.4 14 16 A A E -AC 5 27A 0 13,-1.6 13,-2.5 -2,-0.2 2,-0.4 -0.962 6.9-175.6-148.5 127.7 -18.1 25.2 -22.4 15 17 A I E -AC 4 26A 0 -11,-2.3 -11,-2.9 -2,-0.3 2,-0.6 -0.986 14.6-152.5-128.8 140.2 -20.1 26.7 -25.2 16 18 A L E -AC 3 25A 0 9,-1.7 8,-3.0 -2,-0.4 9,-0.9 -0.955 23.2-173.8-113.5 114.6 -23.7 26.1 -26.3 17 19 A F E -AC 2 23A 1 -15,-3.3 -15,-2.6 -2,-0.6 2,-0.2 -0.620 24.6-118.3-105.8 166.0 -24.3 26.8 -30.0 18 20 A T > - 0 0 28 4,-1.6 3,-2.0 -17,-0.2 4,-0.4 -0.606 43.6 -99.0 -93.6 161.2 -27.4 26.9 -32.2 19 21 A L T 3 S+ 0 0 60 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.716 124.4 62.2 -55.2 -18.1 -27.5 24.3 -35.0 20 22 A E T 3 S- 0 0 118 2,-0.1 -1,-0.3 436,-0.0 419,-0.0 0.092 122.8-100.9 -96.9 23.3 -26.4 27.1 -37.2 21 23 A G S < S+ 0 0 12 -3,-2.0 -2,-0.1 1,-0.2 408,-0.1 0.848 76.6 136.4 63.4 40.5 -23.1 27.7 -35.4 22 24 A R - 0 0 174 -4,-0.4 -4,-1.6 413,-0.0 -1,-0.2 -0.977 53.8-120.5-120.9 122.6 -24.1 30.7 -33.3 23 25 A P E +C 17 0A 58 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.316 28.0 177.3 -64.3 141.5 -23.0 30.9 -29.6 24 26 A V E - 0 0 62 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.703 65.5 -9.1-111.8 -37.3 -25.7 31.2 -27.0 25 27 A A E -C 16 0A 13 -9,-0.9 -9,-1.7 2,-0.0 -1,-0.4 -0.985 57.1-149.2-159.2 160.7 -23.7 31.1 -23.7 26 28 A V E -C 15 0A 49 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.999 6.1-172.0-141.2 141.3 -20.2 30.4 -22.4 27 29 A A E +C 14 0A 0 -13,-2.5 -13,-1.6 -2,-0.4 2,-0.4 -0.996 11.6 176.7-134.1 127.5 -18.8 29.1 -19.2 28 30 A K E +C 13 0A 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.987 4.2 171.1-137.8 127.8 -15.1 29.1 -18.4 29 31 A R E -C 12 0A 111 -17,-2.0 -17,-2.9 -2,-0.4 2,-0.1 -0.997 21.7-134.2-137.2 141.2 -13.1 28.0 -15.4 30 32 A E E -C 11 0A 132 -2,-0.4 2,-0.3 -19,-0.3 -19,-0.2 -0.446 12.5-156.6 -90.8 162.9 -9.4 27.7 -14.7 31 33 A F - 0 0 12 -21,-1.7 2,-0.1 -2,-0.1 17,-0.0 -0.938 33.9 -82.7-134.7 158.3 -7.5 24.9 -13.0 32 34 A R - 0 0 177 -2,-0.3 2,-0.6 1,-0.1 12,-0.5 -0.374 33.3-143.1 -65.7 131.0 -4.1 24.8 -11.3 33 35 A Q E -E 43 0B 39 -2,-0.1 2,-0.5 10,-0.1 10,-0.2 -0.851 18.5-147.6 -94.3 122.9 -1.0 24.4 -13.4 34 36 A L E -E 42 0B 43 8,-2.7 8,-3.5 -2,-0.6 -2,-0.0 -0.831 19.2-178.8-101.3 128.9 1.6 22.2 -11.7 35 37 A Y + 0 0 114 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.706 7.8 169.4-122.9 77.5 5.3 22.7 -12.1 36 38 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.884 73.3 0.5 -54.2 -48.9 7.1 20.0 -10.0 37 39 A K S > S- 0 0 124 3,-0.0 3,-2.4 0, 0.0 2,-0.2 -0.879 102.8 -69.6-135.2 165.8 10.6 20.7 -11.4 38 40 A P T 3 S+ 0 0 128 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.441 124.8 14.5 -64.1 125.8 11.8 23.3 -14.0 39 41 A G T 3 S+ 0 0 33 1,-0.4 63,-1.3 -2,-0.2 2,-0.4 0.362 101.5 118.0 92.4 -4.6 10.4 22.3 -17.4 40 42 A W < - 0 0 46 -3,-2.4 2,-0.4 61,-0.2 -1,-0.4 -0.802 41.9-173.8 -97.2 137.8 8.0 19.9 -15.9 41 43 A V + 0 0 2 -2,-0.4 57,-1.6 57,-0.2 60,-0.3 -0.968 6.9 171.9-135.6 119.9 4.2 20.5 -16.4 42 44 A E E -EF 34 97B 12 -8,-3.5 -8,-2.7 -2,-0.4 2,-0.4 -0.879 17.4-153.9-130.6 158.7 1.4 18.6 -14.8 43 45 A H E -EF 33 96B 0 53,-2.0 53,-2.0 -2,-0.3 -10,-0.1 -0.961 24.6-123.2-119.8 145.3 -2.4 18.7 -14.4 44 46 A D > - 0 0 52 -12,-0.5 4,-2.1 -2,-0.4 5,-0.2 -0.791 22.3-150.1 -80.7 117.1 -4.6 17.3 -11.7 45 47 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.948 93.6 51.8 -53.9 -48.3 -7.0 15.0 -13.7 46 48 A L H > S+ 0 0 77 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.911 108.1 50.4 -53.3 -48.2 -9.9 15.5 -11.2 47 49 A E H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.908 111.4 50.4 -58.2 -41.4 -9.6 19.2 -11.4 48 50 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.923 115.6 41.5 -62.2 -47.3 -9.7 18.9 -15.2 49 51 A W H X S+ 0 0 30 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.976 114.4 50.3 -64.3 -56.7 -12.8 16.7 -15.1 50 52 A E H X S+ 0 0 110 -4,-3.6 4,-1.6 1,-0.3 -2,-0.2 0.772 111.6 47.2 -55.3 -33.1 -14.6 18.7 -12.4 51 53 A T H X S+ 0 0 11 -4,-1.9 4,-3.1 -5,-0.3 -1,-0.3 0.850 111.7 50.9 -79.4 -33.6 -14.2 22.0 -14.1 52 54 A T H X S+ 0 0 1 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.975 112.1 47.0 -64.3 -51.0 -15.3 20.6 -17.4 53 55 A L H X S+ 0 0 27 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.875 113.2 51.5 -52.2 -41.5 -18.3 19.1 -15.7 54 56 A W H X S+ 0 0 62 -4,-1.6 4,-2.3 -5,-0.3 3,-0.3 0.945 108.9 47.1 -65.6 -49.7 -18.8 22.5 -14.1 55 57 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.915 108.3 57.2 -59.1 -41.2 -18.6 24.5 -17.3 56 58 A A H X S+ 0 0 4 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.865 110.3 44.0 -58.2 -38.4 -21.1 22.1 -19.0 57 59 A R H X S+ 0 0 105 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.888 110.3 55.8 -76.4 -36.4 -23.6 22.8 -16.3 58 60 A E H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.824 104.1 50.5 -67.9 -33.2 -23.1 26.5 -16.3 59 61 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.932 109.3 53.0 -70.6 -38.5 -23.7 27.1 -20.0 60 62 A L H <>S+ 0 0 14 -4,-1.1 5,-2.0 -5,-0.3 4,-0.5 0.872 113.0 45.4 -59.3 -35.5 -26.9 25.2 -19.6 61 63 A R H ><5S+ 0 0 165 -4,-1.6 3,-1.2 3,-0.2 -2,-0.2 0.963 112.2 48.8 -71.6 -52.9 -27.9 27.5 -16.7 62 64 A R H 3<5S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.762 113.7 46.7 -59.7 -27.8 -26.9 30.7 -18.4 63 65 A A T 3<5S- 0 0 33 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.570 107.2-125.3 -90.6 -9.5 -28.8 29.8 -21.6 64 66 A G T < 5 + 0 0 68 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.807 66.7 137.2 68.8 28.8 -31.8 28.8 -19.6 65 67 A A < - 0 0 15 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.601 45.2-142.1-106.4 166.8 -31.6 25.5 -21.5 66 68 A E > - 0 0 135 -2,-0.2 3,-2.2 -3,-0.1 4,-0.4 -0.931 29.7-106.2-127.5 152.6 -32.0 21.8 -20.4 67 69 A A G > S+ 0 0 5 161,-0.7 3,-2.9 -2,-0.3 162,-0.1 0.851 115.1 62.0 -41.9 -51.2 -30.1 18.6 -21.5 68 70 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 164,-0.1 161,-0.0 0.782 97.7 59.9 -49.8 -29.8 -33.0 17.3 -23.5 69 71 A E G < S+ 0 0 88 -3,-2.2 2,-0.7 -67,-0.0 -1,-0.3 0.634 84.8 94.1 -73.6 -17.1 -32.7 20.4 -25.8 70 72 A V < - 0 0 9 -3,-2.9 -68,-0.2 -4,-0.4 3,-0.1 -0.718 57.5-167.0 -83.7 117.4 -29.1 19.5 -26.6 71 73 A L - 0 0 64 -70,-2.6 2,-0.3 -2,-0.7 -69,-0.2 0.959 67.9 -13.5 -67.5 -54.2 -29.0 17.5 -29.9 72 74 A A E -b 2 0A 0 -71,-0.8 -69,-1.9 160,-0.1 2,-0.4 -0.989 59.8-129.7-150.8 157.6 -25.4 16.3 -29.5 73 75 A L E -bd 3 234A 0 160,-3.1 162,-1.3 -2,-0.3 163,-1.1 -0.902 17.1-159.1-112.5 136.6 -22.2 17.0 -27.5 74 76 A G E -bd 4 236A 0 -71,-2.9 -69,-2.7 -2,-0.4 2,-0.3 -0.961 4.9-152.0-120.0 128.6 -18.8 17.6 -29.0 75 77 A I E +bd 5 237A 0 161,-4.8 163,-1.4 -2,-0.5 2,-0.3 -0.744 17.6 170.0 -97.4 144.4 -15.5 17.1 -27.2 76 78 A T E +bd 6 238A 0 -71,-2.2 -69,-3.0 -2,-0.3 2,-0.3 -0.971 13.9 170.4-150.7 139.3 -12.3 19.0 -28.0 77 79 A N E -bd 7 239A 0 161,-0.9 163,-2.7 -2,-0.3 164,-0.3 -0.894 42.9 -72.7-148.0 167.4 -9.1 19.1 -25.9 78 80 A Q - 0 0 0 -71,-2.1 83,-0.4 -2,-0.3 84,-0.2 -0.512 58.1-130.3 -61.2 138.4 -5.4 19.9 -25.3 79 81 A R S S+ 0 0 3 -2,-0.2 54,-0.1 1,-0.2 105,-0.1 0.638 77.3 19.8 -89.8 -22.4 -3.6 17.4 -27.5 80 82 A E S S+ 0 0 2 52,-0.1 -1,-0.2 2,-0.1 17,-0.1 0.634 74.4 129.5-121.8 -9.0 -0.7 15.3 -26.1 81 83 A T - 0 0 0 1,-0.1 80,-0.5 15,-0.1 2,-0.3 -0.172 50.7-139.3 -45.8 127.5 -1.2 15.4 -22.3 82 84 A T B +G 97 0B 1 15,-2.3 15,-1.7 78,-0.1 2,-0.3 -0.751 22.5 179.3-100.4 140.6 -1.0 11.8 -21.0 83 85 A L E -H 159 0C 4 76,-1.6 76,-1.6 -2,-0.3 2,-0.4 -0.992 9.9-166.1-139.6 147.7 -3.2 10.2 -18.3 84 86 A L E +H 158 0C 3 10,-0.5 9,-2.3 -2,-0.3 2,-0.3 -0.990 16.0 173.2-132.9 138.1 -3.4 6.8 -16.7 85 87 A W E -HI 157 92C 1 72,-2.4 72,-2.6 -2,-0.4 2,-0.4 -0.988 38.0 -96.5-148.3 158.4 -6.2 5.5 -14.5 86 88 A D E > -H 156 0C 57 5,-2.3 4,-2.6 -2,-0.3 70,-0.2 -0.580 26.8-149.7 -72.9 123.2 -7.6 2.4 -12.8 87 89 A R T 4 S+ 0 0 69 68,-3.0 -1,-0.2 -2,-0.4 69,-0.1 0.839 95.3 48.4 -63.3 -32.8 -10.3 0.8 -14.9 88 90 A K T 4 S+ 0 0 191 67,-0.4 -1,-0.2 1,-0.1 68,-0.1 0.882 128.7 18.8 -77.9 -40.2 -12.1 -0.5 -11.9 89 91 A T T 4 S- 0 0 98 2,-0.2 -2,-0.2 83,-0.0 -1,-0.1 0.574 89.7-133.5-107.8 -11.5 -12.2 2.8 -9.8 90 92 A G < + 0 0 17 -4,-2.6 -3,-0.1 1,-0.3 82,-0.1 0.637 56.1 146.1 67.4 12.5 -11.5 5.4 -12.5 91 93 A K - 0 0 150 -5,-0.2 -5,-2.3 1,-0.1 -1,-0.3 -0.705 52.5-120.1 -87.0 126.9 -9.0 6.9 -10.2 92 94 A P B -I 85 0C 31 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.327 14.8-151.7 -61.8 145.3 -6.0 8.5 -11.9 93 95 A L S S+ 0 0 41 -9,-2.3 2,-0.2 1,-0.3 -8,-0.1 0.053 75.1 4.6-113.2 30.3 -2.7 6.9 -10.8 94 96 A H S S- 0 0 57 -10,-0.3 -10,-0.5 0, 0.0 -1,-0.3 -0.688 94.3 -80.2 164.0 146.6 -0.4 9.9 -11.4 95 97 A N - 0 0 58 -2,-0.2 2,-0.3 1,-0.1 -51,-0.2 -0.200 58.1 -92.7 -59.3 155.1 -1.0 13.5 -12.4 96 98 A A E -F 43 0B 0 -53,-2.0 -53,-2.0 -13,-0.1 2,-1.0 -0.546 33.1-133.1 -73.3 129.0 -1.5 14.1 -16.2 97 99 A I E -FG 42 82B 0 -15,-1.7 -15,-2.3 -2,-0.3 -55,-0.2 -0.752 28.2-139.5 -87.0 108.0 1.7 14.9 -17.9 98 100 A V > - 0 0 0 -57,-1.6 3,-1.1 -2,-1.0 -57,-0.2 -0.144 19.2-108.9 -63.5 158.6 0.8 18.0 -20.0 99 101 A W T 3 S+ 0 0 8 1,-0.3 -1,-0.1 -18,-0.1 -57,-0.0 0.684 117.0 61.3 -63.1 -20.0 2.1 18.5 -23.6 100 102 A Q T 3 S+ 0 0 6 -59,-0.1 -1,-0.3 2,-0.0 31,-0.1 0.764 81.2 107.8 -78.8 -25.2 4.3 21.3 -22.4 101 103 A D < - 0 0 0 -3,-1.1 -61,-0.2 -60,-0.3 35,-0.0 -0.030 44.6-176.0 -52.6 156.8 6.3 19.0 -20.1 102 104 A R > + 0 0 21 -63,-1.3 3,-1.5 34,-0.0 -62,-0.2 0.362 44.6 115.2-139.5 5.3 9.8 18.1 -21.1 103 105 A R T 3 S+ 0 0 21 1,-0.3 4,-0.2 -64,-0.3 -63,-0.1 0.806 70.8 70.9 -49.5 -32.4 11.2 15.6 -18.6 104 106 A T T 3> + 0 0 0 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.225 61.5 106.5 -72.9 14.3 11.4 13.0 -21.4 105 107 A T H <> S+ 0 0 21 -3,-1.5 4,-2.1 1,-0.2 5,-0.2 0.890 76.6 54.5 -63.6 -38.2 14.3 14.6 -23.4 106 108 A P H > S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 108.4 49.0 -61.8 -39.4 16.9 11.9 -22.3 107 109 A L H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.880 108.3 54.3 -65.6 -37.7 14.6 9.1 -23.6 108 110 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.928 110.4 45.4 -61.5 -45.1 14.1 10.9 -26.9 109 111 A E H X S+ 0 0 57 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.862 113.3 52.0 -68.0 -31.1 17.8 11.1 -27.4 110 112 A A H X S+ 0 0 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105.8 59.4 -89.7 -44.0 40.3 75.6 -40.0 643 152 B R H ><>S+ 0 0 141 -4,-0.8 3,-1.1 1,-0.3 5,-0.7 0.892 104.9 52.5 -43.5 -48.0 39.7 77.7 -36.9 644 153 B A T 3<5S+ 0 0 1 -4,-1.3 -1,-0.3 1,-0.2 57,-0.2 0.116 87.3 84.2 -85.2 25.2 41.8 75.3 -34.9 645 154 B E T < 5S+ 0 0 102 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.655 97.3 37.1 -96.3 -17.8 44.7 75.5 -37.4 646 155 B G T < 5S- 0 0 76 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.611 117.4 -99.6-108.1 -17.8 46.1 78.7 -35.8 647 156 B G T 5S+ 0 0 17 -4,-0.5 -67,-0.1 52,-0.0 -3,-0.1 0.367 85.3 121.2 114.9 -4.3 45.5 78.1 -32.1 648 157 B G S -D 575 0K 2 -2,-0.2 4,-2.4 -78,-0.2 3,-0.4 -0.468 57.6 -87.8 -81.3 159.4 39.6 66.6 -21.2 654 163 B V H > S+ 0 0 0 -80,-1.2 4,-0.7 1,-0.2 -1,-0.1 0.654 130.8 55.9 -45.6 -13.5 37.2 67.3 -18.3 655 164 B D H >> S+ 0 0 0 2,-0.2 4,-2.5 -83,-0.2 3,-0.7 0.948 107.2 42.2 -84.5 -54.9 40.3 67.9 -16.2 656 165 B T H 3> S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.3 13,-0.2 0.808 112.4 59.3 -59.6 -29.1 42.0 70.6 -18.4 657 166 B W H 3X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -1,-0.3 0.866 106.8 45.3 -66.8 -38.1 38.5 72.0 -18.7 658 167 B L H <>S+ 0 0 15 -4,-2.1 3,-4.2 1,-0.2 5,-0.6 0.977 109.1 45.2 -52.2 -78.5 40.5 76.4 -17.2 661 170 B N H 3<5S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.635 112.9 56.0 -42.1 -20.1 37.2 77.4 -15.4 662 171 B L H 3<5S+ 0 0 6 -4,-1.8 55,-1.3 -3,-0.4 -1,-0.3 0.591 119.2 28.5 -91.4 -13.2 39.3 77.7 -12.2 663 172 B T T X<5S- 0 0 1 -3,-4.2 3,-4.2 -4,-0.7 -2,-0.2 0.011 101.9-120.5-135.4 28.8 41.8 80.1 -13.7 664 173 B G T 3 5S- 0 0 57 -4,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.779 85.4 -38.2 31.6 51.1 39.8 82.0 -16.3 665 174 B G T 3 - 0 0 0 -2,-0.3 4,-0.8 35,-0.2 5,-0.2 -0.423 38.6-105.7 -82.9 159.2 48.4 65.4 -16.2 672 181 B P H >> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 3,-1.7 0.945 117.1 49.9 -46.8 -57.4 50.1 62.5 -18.0 673 182 B T H >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.3 3,-0.9 0.945 106.5 52.1 -49.0 -62.9 47.4 59.9 -16.9 674 183 B N H 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 -19,-0.1 0.671 119.4 41.4 -50.3 -14.4 44.4 61.9 -18.0 675 184 B A H X< S+ 0 0 4 -3,-1.7 3,-1.6 -4,-0.8 6,-0.6 0.660 99.3 69.6-104.3 -27.6 46.4 62.1 -21.3 676 185 B S H << S+ 0 0 0 -4,-2.4 -2,-0.2 -3,-0.9 -3,-0.2 0.809 94.6 59.7 -60.6 -28.9 47.6 58.5 -21.4 677 186 B R T 3< S+ 0 0 0 -4,-1.6 -51,-0.9 -5,-0.2 2,-0.4 -0.016 92.0 90.4 -89.2 29.6 44.0 57.6 -22.1 678 187 B T S X S- 0 0 4 -3,-1.6 3,-0.6 -53,-0.2 -59,-0.1 -0.988 84.3-127.3-125.2 134.9 44.3 59.8 -25.2 679 188 B L T 3 S+ 0 0 0 -2,-0.4 -62,-0.1 1,-0.2 -60,-0.1 0.643 104.4 55.7 -58.1 -15.2 45.4 58.3 -28.5 680 189 B L T 3 S+ 0 0 2 -5,-0.2 9,-1.5 12,-0.1 -1,-0.2 0.861 80.9 95.9 -86.8 -39.9 48.1 60.9 -28.9 681 190 B F B < -G 688 0M 1 -6,-0.6 2,-0.4 -3,-0.6 7,-0.2 -0.286 64.3-144.0 -58.4 127.9 50.2 60.6 -25.7 682 191 B N - 0 0 9 5,-0.9 5,-0.4 1,-0.1 4,-0.3 -0.768 3.1-156.2 -90.9 138.8 53.2 58.3 -25.9 683 192 B L S S+ 0 0 0 -67,-2.4 -66,-0.1 -2,-0.4 -1,-0.1 0.465 86.5 53.0 -96.8 0.4 53.8 56.4 -22.7 684 193 B H S S+ 0 0 102 -68,-0.3 -1,-0.1 3,-0.2 -67,-0.1 0.753 116.4 34.2 -97.2 -39.8 57.6 55.8 -23.2 685 194 B T S S- 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