==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-07 2PUN . COMPND 2 MOLECULE: METHYLTHIORIBOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.-Y.KU . 758 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 72.2 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 . 72 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 31 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 0 2 2 0 6 2 2 0 0 3 2 1 0 0 0 2 0 0 0 2 2 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 . 1 3 3 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 6 A T 0 0 182 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.3 -45.7 -18.8 9.1 2 7 A P - 0 0 96 0, 0.0 92,-0.0 0, 0.0 0, 0.0 -0.374 360.0-159.1 -62.1 132.6 -49.3 -20.1 9.4 3 8 A L + 0 0 121 -2,-0.1 2,-0.2 2,-0.0 92,-0.1 0.646 51.6 117.4 -89.6 -17.6 -50.0 -22.1 12.6 4 9 A Y + 0 0 63 90,-0.1 2,-0.3 2,-0.0 91,-0.1 -0.332 31.5 162.4 -61.7 123.5 -53.1 -24.0 11.4 5 10 A E - 0 0 147 -2,-0.2 2,-0.3 90,-0.1 -2,-0.0 -0.990 41.2-115.8-136.0 134.3 -52.7 -27.8 11.4 6 11 A T - 0 0 77 -2,-0.3 5,-0.1 1,-0.1 2,-0.1 -0.531 38.5-131.7 -67.9 124.1 -55.5 -30.3 11.2 7 12 A L - 0 0 18 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.339 20.5-168.2 -75.2 153.5 -55.5 -32.4 14.5 8 13 A N > - 0 0 83 -2,-0.1 4,-2.5 26,-0.0 5,-0.2 -0.716 46.5 -86.5-122.0-173.0 -55.8 -36.1 14.9 9 14 A E H > S+ 0 0 96 -2,-0.2 4,-1.5 2,-0.2 5,-0.1 0.848 131.1 43.2 -65.1 -35.7 -56.3 -38.2 18.0 10 15 A S H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 114.4 49.5 -71.7 -51.6 -52.6 -38.2 18.9 11 16 A S H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.805 109.4 53.9 -53.9 -38.2 -52.2 -34.4 18.0 12 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.904 108.2 47.4 -67.5 -46.5 -55.2 -33.6 20.2 13 18 A V H X S+ 0 0 33 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.830 111.4 53.4 -60.7 -34.2 -53.7 -35.4 23.2 14 19 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 110.8 46.0 -65.1 -43.1 -50.4 -33.6 22.5 15 20 A L H X S+ 0 0 47 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.962 111.5 49.0 -64.3 -53.6 -52.2 -30.2 22.5 16 21 A A H < S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 112.5 53.9 -51.9 -36.0 -54.2 -31.0 25.8 17 22 A V H < S+ 0 0 67 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.969 105.3 48.4 -61.0 -58.9 -50.8 -32.0 27.1 18 23 A K H < S+ 0 0 98 -4,-2.5 2,-0.9 1,-0.2 -2,-0.2 0.710 107.6 61.8 -61.4 -24.0 -49.0 -28.7 26.3 19 24 A L < 0 0 53 -4,-2.0 -1,-0.2 -5,-0.2 71,-0.0 -0.908 360.0 360.0 -93.8 99.2 -52.0 -27.0 27.9 20 25 A G 0 0 121 -2,-0.9 -3,-0.2 0, 0.0 -2,-0.1 0.108 360.0 360.0 -48.5 360.0 -51.5 -28.5 31.3 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 33 A L 0 0 102 0, 0.0 2,-0.3 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 156.6 -55.0 -40.7 28.4 23 34 A T E -A 39 0A 99 16,-2.0 16,-2.6 2,-0.0 2,-0.4 -0.898 360.0-163.0-117.4 151.4 -57.2 -42.0 25.6 24 35 A C E +A 38 0A 23 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.997 9.0 179.9-137.3 132.5 -58.8 -40.1 22.7 25 36 A Q E -A 37 0A 45 12,-2.2 12,-2.8 -2,-0.4 2,-0.5 -0.999 28.6-128.5-130.1 132.0 -61.6 -40.8 20.3 26 37 A E E +A 36 0A 73 -2,-0.4 10,-0.2 10,-0.2 -17,-0.0 -0.681 34.1 168.1 -72.9 122.8 -63.0 -38.6 17.5 27 38 A I + 0 0 85 8,-3.1 9,-0.1 -2,-0.5 -1,-0.1 0.125 15.0 147.5-128.9 18.1 -66.8 -38.4 18.0 28 39 A G - 0 0 24 7,-0.5 6,-0.1 1,-0.1 -2,-0.0 -0.236 37.2-152.7 -65.9 150.3 -68.0 -35.6 15.7 29 40 A D S S+ 0 0 164 5,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.831 74.2 37.7 -93.5 -40.9 -71.5 -35.7 14.1 30 41 A G S S- 0 0 59 3,-0.2 -2,-0.0 1,-0.0 0, 0.0 -0.178 80.6-115.5 -98.0-166.2 -70.9 -33.6 10.9 31 42 A N S S+ 0 0 61 27,-0.1 25,-0.3 -2,-0.1 24,-0.1 0.298 100.6 71.8-115.4 5.5 -68.0 -33.3 8.5 32 43 A L S S+ 0 0 38 1,-0.2 18,-2.5 23,-0.1 2,-0.3 0.513 101.9 33.4 -99.7 -10.2 -67.2 -29.6 9.1 33 44 A N E - B 0 49A 25 16,-0.3 2,-0.4 2,-0.0 16,-0.2 -0.998 67.0-137.8-142.4 144.1 -65.7 -30.1 12.6 34 45 A Y E - B 0 48A 67 14,-3.1 14,-2.4 -2,-0.3 2,-0.4 -0.811 17.0-162.8 -90.6 145.8 -63.6 -32.6 14.5 35 46 A V E - B 0 47A 31 -2,-0.4 -8,-3.1 12,-0.2 2,-0.6 -0.965 5.4-163.0-130.2 110.2 -64.7 -33.3 18.0 36 47 A F E -AB 26 46A 5 10,-3.2 10,-2.4 -2,-0.4 2,-0.6 -0.874 4.2-157.6-103.3 119.8 -62.0 -35.1 20.1 37 48 A H E -AB 25 45A 38 -12,-2.8 -12,-2.2 -2,-0.6 2,-0.4 -0.852 12.7-171.0 -93.7 121.0 -63.1 -36.7 23.4 38 49 A I E -AB 24 44A 11 6,-2.9 6,-2.5 -2,-0.6 2,-0.3 -0.976 1.8-170.2-121.6 129.7 -60.1 -37.2 25.8 39 50 A Y E AB 23 43A 131 -16,-2.6 -16,-2.0 -2,-0.4 4,-0.2 -0.933 360.0 360.0-124.9 140.2 -60.4 -39.2 29.0 40 51 A D 0 0 140 2,-2.9 -2,-0.0 -2,-0.3 0, 0.0 -0.955 360.0 360.0-118.6 360.0 -58.1 -39.7 32.0 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 56 A R 0 0 104 0, 0.0 -2,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.5 -61.4 -36.2 34.3 43 57 A A E -B 39 0A 35 -4,-0.2 59,-0.5 59,-0.1 2,-0.3 -0.944 360.0-166.3-143.2 163.8 -62.4 -35.7 30.6 44 58 A L E -B 38 0A 47 -6,-2.5 -6,-2.9 -2,-0.3 2,-0.4 -0.993 13.7-141.1-152.1 149.4 -62.2 -33.0 27.9 45 59 A I E -BC 37 100A 16 55,-2.5 55,-2.8 -2,-0.3 2,-0.5 -0.968 10.9-170.6-115.0 130.8 -63.5 -32.0 24.5 46 60 A I E -BC 36 99A 2 -10,-2.4 -10,-3.2 -2,-0.4 2,-0.4 -0.958 8.3-170.5-118.5 111.0 -61.4 -30.5 21.7 47 61 A K E -BC 35 98A 20 51,-2.7 51,-2.6 -2,-0.5 2,-0.4 -0.851 5.2-177.9-100.4 133.9 -63.4 -29.2 18.8 48 62 A Q E -BC 34 97A 0 -14,-2.4 -14,-3.1 -2,-0.4 49,-0.2 -1.000 25.2-122.6-134.8 134.4 -61.6 -28.1 15.6 49 63 A A E -B 33 0A 1 47,-2.0 -16,-0.3 -2,-0.4 15,-0.1 -0.474 21.4-138.8 -73.7 142.6 -63.0 -26.6 12.4 50 64 A V - 0 0 1 -18,-2.5 5,-0.2 -2,-0.2 2,-0.0 -0.924 20.6-123.8-104.7 124.4 -62.2 -28.5 9.2 51 65 A P - 0 0 38 0, 0.0 3,-0.3 0, 0.0 12,-0.1 -0.349 26.1-109.0 -70.2 154.7 -61.3 -26.2 6.2 52 66 A Y S S+ 0 0 120 10,-0.7 3,-0.4 1,-0.3 2,-0.1 0.541 103.2 74.2 -22.5 -65.9 -63.4 -26.6 3.0 53 67 A A S S+ 0 0 73 1,-0.5 -1,-0.3 3,-0.0 3,-0.1 -0.984 107.7 13.2 138.9 16.5 -61.0 -28.0 1.3 54 68 A K S S+ 0 0 79 -3,-0.3 -1,-0.5 -2,-0.1 2,-0.2 0.786 73.4 119.8-131.6 178.3 -60.9 -30.8 2.5 55 69 A V - 0 0 20 -3,-0.4 2,-0.5 -5,-0.2 -1,-0.1 -0.463 68.2 -89.3 95.4 103.3 -63.1 -32.1 4.4 56 70 A V S S+ 0 0 83 -25,-0.3 -3,-0.0 -2,-0.2 2,-0.0 -0.678 83.4 0.7 -98.9 121.7 -64.9 -35.2 3.4 57 71 A G S S- 0 0 57 -2,-0.5 -2,-0.1 2,-0.1 -3,-0.1 -0.008 102.9 -36.1 91.1 160.9 -68.2 -35.1 1.4 58 72 A E + 0 0 104 1,-0.0 2,-0.3 -2,-0.0 -27,-0.1 -0.167 68.7 163.8 -54.1 138.5 -70.2 -32.2 -0.0 59 73 A S - 0 0 30 -4,-0.1 -2,-0.1 -27,-0.0 -1,-0.0 -0.972 47.0 -94.7-151.3 162.6 -70.4 -29.1 2.1 60 74 A W - 0 0 64 -2,-0.3 2,-0.4 1,-0.1 102,-0.0 -0.752 56.0-110.8 -74.3 121.5 -71.2 -25.4 2.2 61 75 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.441 53.7 162.8 -64.9 116.3 -67.8 -23.7 1.5 62 76 A L - 0 0 12 -2,-0.4 -10,-0.7 -30,-0.0 -2,-0.0 -0.990 36.0-127.3-138.6 140.3 -66.8 -21.9 4.8 63 77 A T - 0 0 74 -2,-0.3 3,-0.4 -12,-0.1 -13,-0.1 -0.145 34.7-110.5 -67.3 178.2 -63.6 -20.4 6.3 64 78 A I S > S+ 0 0 37 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.286 94.2 101.8 -98.2 8.1 -62.6 -21.5 9.8 65 79 A D T >> + 0 0 63 1,-0.3 4,-1.5 2,-0.2 3,-1.1 0.786 63.8 77.8 -58.2 -33.8 -63.4 -18.0 11.3 66 80 A R H 3> S+ 0 0 2 -3,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.751 85.6 62.1 -43.7 -34.0 -66.6 -19.6 12.6 67 81 A A H <> S+ 0 0 4 -3,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.851 100.1 51.6 -65.3 -40.9 -64.5 -21.2 15.4 68 82 A R H <> S+ 0 0 64 -3,-1.1 4,-2.0 -4,-0.4 5,-0.2 0.894 112.5 47.0 -58.3 -44.4 -63.5 -17.7 16.7 69 83 A I H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 5,-0.2 0.967 113.1 48.1 -62.3 -52.4 -67.2 -16.8 16.8 70 84 A E H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 114.0 45.3 -58.3 -49.3 -68.2 -20.1 18.5 71 85 A S H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.926 117.8 42.8 -56.2 -52.1 -65.5 -19.8 21.2 72 86 A S H X S+ 0 0 26 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.890 114.2 51.6 -69.5 -37.5 -66.1 -16.2 22.0 73 87 A A H X S+ 0 0 1 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.924 110.9 48.2 -60.6 -45.7 -69.9 -16.7 21.9 74 88 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.834 111.5 50.4 -63.3 -36.7 -69.7 -19.6 24.4 75 89 A I H < S+ 0 0 69 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.916 110.5 48.8 -69.5 -45.8 -67.4 -17.6 26.7 76 90 A R H >< S+ 0 0 41 -4,-2.3 3,-1.2 1,-0.2 4,-0.3 0.890 110.2 51.6 -58.0 -43.8 -69.8 -14.6 26.7 77 91 A Q H >X S+ 0 0 17 -4,-2.2 4,-2.7 1,-0.2 3,-1.6 0.881 103.7 58.6 -62.3 -39.7 -72.8 -16.9 27.4 78 92 A G T 3< S+ 0 0 23 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.525 92.3 68.4 -69.8 -6.8 -71.0 -18.5 30.4 79 93 A E T <4 S+ 0 0 120 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.671 118.4 20.5 -81.6 -14.6 -70.6 -15.1 32.0 80 94 A H T <4 S+ 0 0 62 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.678 140.4 23.7-122.5 -35.1 -74.4 -15.0 32.6 81 95 A V >< + 0 0 0 -4,-2.7 3,-2.6 1,-0.1 4,-0.3 -0.414 64.8 157.4-134.3 56.0 -75.6 -18.6 32.4 82 96 A P T 3 S+ 0 0 82 0, 0.0 3,-0.5 0, 0.0 -4,-0.1 0.715 76.6 56.7 -59.6 -20.7 -72.5 -20.7 33.2 83 97 A H T 3 S+ 0 0 92 1,-0.2 149,-0.4 -3,-0.1 -5,-0.1 0.455 105.6 51.1 -87.2 -4.5 -74.7 -23.6 34.2 84 98 A L S < S+ 0 0 4 -3,-2.6 150,-3.3 -7,-0.1 -1,-0.2 0.267 108.8 47.9-117.3 8.6 -76.4 -23.7 30.8 85 99 A V S S- 0 0 2 -3,-0.5 2,-0.1 -4,-0.3 150,-0.1 -0.965 91.8 -94.6-142.9 152.5 -73.4 -23.8 28.5 86 100 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.485 44.6-109.4 -65.5 140.1 -70.2 -25.9 28.5 87 101 A R - 0 0 44 -2,-0.1 14,-2.8 15,-0.1 2,-0.5 -0.514 27.8-141.2 -64.0 139.1 -67.1 -24.4 30.2 88 102 A V E +D 100 0A 35 12,-0.2 12,-0.3 -2,-0.2 3,-0.1 -0.941 21.6 177.7-107.4 125.4 -64.4 -23.3 27.8 89 103 A F E - 0 0 131 10,-2.8 2,-0.3 -2,-0.5 11,-0.2 0.691 67.6 -1.8 -99.0 -26.2 -60.8 -23.9 29.0 90 104 A Y E -D 99 0A 114 9,-1.3 9,-3.5 2,-0.0 -1,-0.4 -0.958 58.1-176.3-163.6 143.6 -58.9 -22.7 25.9 91 105 A S E -D 98 0A 45 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.981 2.8-174.5-144.9 159.0 -59.5 -21.3 22.5 92 106 A D E >> -D 97 0A 42 5,-2.0 5,-2.5 -2,-0.3 4,-0.6 -0.928 12.9-159.3-155.6 120.3 -57.3 -20.4 19.5 93 107 A T T 45S+ 0 0 83 -2,-0.3 -25,-0.2 3,-0.2 -26,-0.1 0.873 91.5 52.2 -78.1 -36.9 -58.5 -18.7 16.3 94 108 A E T 45S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 -90,-0.1 0.929 118.4 37.5 -65.3 -45.2 -55.6 -19.6 14.0 95 109 A M T 45S- 0 0 29 -91,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.625 107.1-134.0 -75.7 -15.6 -55.9 -23.4 14.9 96 110 A A T <5 + 0 0 0 -4,-0.6 -47,-2.0 1,-0.2 2,-0.4 0.923 52.5 153.5 60.4 49.9 -59.7 -22.8 15.0 97 111 A V E < -CD 48 92A 10 -5,-2.5 -5,-2.0 -49,-0.2 2,-0.4 -0.900 34.6-173.6-121.0 130.6 -59.8 -24.7 18.3 98 112 A T E -CD 47 91A 2 -51,-2.6 -51,-2.7 -2,-0.4 2,-0.6 -0.987 10.0-161.7-120.9 118.5 -62.3 -24.7 21.2 99 113 A V E +CD 46 90A 18 -9,-3.5 -10,-2.8 -2,-0.4 -9,-1.3 -0.906 29.4 161.6 -98.4 121.6 -61.3 -26.8 24.3 100 114 A M E -CD 45 88A 17 -55,-2.8 -55,-2.5 -2,-0.6 -12,-0.2 -0.803 40.9 -68.7-138.8 170.3 -64.4 -27.3 26.4 101 115 A E - 0 0 67 -14,-2.8 2,-0.4 -2,-0.2 -57,-0.2 -0.336 51.7-114.2 -59.0 136.9 -66.2 -29.3 29.1 102 116 A D + 0 0 31 -59,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.638 35.7 173.0 -75.4 125.5 -67.1 -32.9 28.3 103 117 A L > + 0 0 7 -2,-0.4 3,-1.9 1,-0.1 -1,-0.1 0.012 35.8 122.9-121.6 29.8 -70.9 -33.4 28.2 104 118 A S T 3 + 0 0 74 1,-0.3 -1,-0.1 122,-0.0 -2,-0.0 0.501 64.1 70.8 -76.5 -1.6 -71.1 -37.0 26.9 105 119 A H T 3 S+ 0 0 117 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.500 96.7 68.9 -82.6 -7.5 -73.2 -38.1 30.0 106 120 A L S < S- 0 0 15 -3,-1.9 2,-0.4 122,-0.1 122,-0.2 -0.591 79.9-130.4-102.7 170.9 -76.0 -36.0 28.4 107 121 A K E -E 227 0B 68 120,-2.7 120,-4.2 -2,-0.2 2,-0.2 -0.929 29.3 -98.2-123.4 147.0 -78.0 -36.7 25.2 108 122 A I E > -E 226 0B 41 -2,-0.4 4,-2.1 118,-0.3 3,-0.3 -0.476 35.9-131.3 -60.3 129.1 -78.8 -34.4 22.3 109 123 A A H > S+ 0 0 0 116,-3.1 4,-2.8 113,-0.3 114,-0.2 0.869 102.9 54.1 -57.6 -42.8 -82.3 -33.0 23.0 110 124 A R H > S+ 0 0 25 112,-2.1 4,-2.3 115,-0.3 -1,-0.2 0.911 109.6 48.3 -56.9 -46.2 -83.6 -33.8 19.5 111 125 A K H > S+ 0 0 116 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.929 113.3 46.3 -63.0 -50.3 -82.6 -37.4 19.8 112 126 A G H X>S+ 0 0 0 -4,-2.1 5,-3.1 2,-0.2 4,-0.5 0.902 111.4 52.2 -56.6 -43.4 -84.1 -37.9 23.2 113 127 A L H ><5S+ 0 0 2 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.903 110.0 47.8 -64.4 -42.2 -87.3 -36.2 22.2 114 128 A I H 3<5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.8 55.5 -62.0 -37.6 -87.7 -38.5 19.2 115 129 A E H 3<5S- 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.591 128.2-101.6 -69.7 -11.3 -87.0 -41.4 21.5 116 130 A G T <<5S+ 0 0 41 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.554 71.0 149.2 97.7 9.9 -89.9 -40.2 23.7 117 131 A E < - 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0 0 129 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.424 40.2-122.1 -53.4 135.9 -74.8 -7.9 -1.3 526 158 B P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.852 110.9 53.7 -59.5 -36.2 -75.3 -8.5 2.4 527 159 B K H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.884 110.2 48.2 -64.0 -39.2 -71.7 -9.5 3.0 528 160 B V H > S+ 0 0 64 -3,-0.4 4,-1.7 2,-0.2 3,-0.4 0.931 111.8 49.7 -62.5 -47.4 -70.5 -6.2 1.4 529 161 B K H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 104.4 57.8 -60.4 -43.6 -73.0 -4.2 3.6 530 162 B K H X S+ 0 0 18 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.813 106.9 49.5 -57.2 -34.9 -71.8 -6.0 6.8 531 163 B Q H X S+ 0 0 87 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.880 108.3 52.0 -70.0 -41.7 -68.3 -4.7 6.1 532 164 B L H X S+ 0 0 17 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.849 103.2 59.6 -64.1 -34.8 -69.5 -1.1 5.5 533 165 B V H < S+ 0 0 21 -4,-2.3 4,-0.3 2,-0.2 91,-0.3 0.913 109.0 43.5 -54.9 -45.4 -71.3 -1.3 8.9 534 166 B K H >< S+ 0 0 66 -4,-1.1 3,-1.4 2,-0.2 -2,-0.2 0.953 112.2 52.9 -62.5 -53.6 -67.9 -1.9 10.6 535 167 B Q H 3< S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.820 116.3 39.1 -52.9 -40.3 -66.2 0.8 8.5 536 168 B F T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.303 75.6 136.4-100.1 9.8 -68.8 3.4 9.5 537 169 B T < - 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0 0 39 -2,-0.7 2,-0.4 -4,-0.1 -5,-0.2 -0.335 23.6-116.7 -96.2-179.8 -80.7 25.1 19.3 716 348 B V >> - 0 0 3 -7,-0.8 4,-2.0 -2,-0.1 3,-0.6 -0.925 13.1-133.9-118.7 146.3 -81.5 26.6 15.9 717 349 B A H 3> S+ 0 0 44 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.787 100.1 73.1 -68.3 -27.8 -81.2 30.2 15.0 718 350 B D H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.903 111.9 27.3 -49.2 -47.6 -84.7 30.1 13.3 719 351 B L H X4 S+ 0 0 0 -3,-0.6 3,-0.9 2,-0.1 -2,-0.2 0.867 117.9 57.2 -84.2 -41.4 -86.3 30.0 16.8 720 352 B D H 3< S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.651 108.2 47.3 -71.2 -16.4 -83.6 31.7 18.9 721 353 B T T 3< S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 0.455 79.2 122.3-105.4 -3.5 -83.7 35.0 16.8 722 354 B I < - 0 0 10 -3,-0.9 6,-0.2 -4,-0.2 7,-0.1 -0.368 60.1-118.5 -54.6 131.5 -87.5 35.3 16.6 723 355 B V S S+ 0 0 102 4,-0.1 2,-0.2 5,-0.1 -2,-0.1 -0.947 80.2 42.5-125.1 149.3 -88.6 38.7 18.1 724 356 B P S >> S- 0 0 86 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.594 80.1-124.0 -72.2 173.8 -90.3 39.8 20.3 725 357 B F H 3> S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 110.3 52.9 -47.9 -44.6 -89.3 37.6 23.3 726 358 B D H 3> S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.831 108.3 47.6 -66.2 -38.1 -93.0 36.6 23.8 727 359 B K H <> S+ 0 0 67 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.888 109.8 55.5 -68.8 -41.0 -93.6 35.6 20.2 728 360 B R H X S+ 0 0 54 -4,-2.4 4,-2.0 -6,-0.2 -2,-0.2 0.918 108.6 47.0 -53.8 -50.5 -90.4 33.5 20.4 729 361 B I H X S+ 0 0 15 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 112.1 50.6 -59.1 -42.3 -91.7 31.7 23.5 730 362 B G H X S+ 0 0 31 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.863 112.0 46.6 -63.8 -39.4 -95.1 31.1 21.8 731 363 B R H X S+ 0 0 36 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.817 111.0 52.3 -74.1 -30.6 -93.4 29.7 18.7 732 364 B K H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.876 106.6 53.7 -71.6 -38.7 -91.1 27.5 20.8 733 365 B R H X S+ 0 0 106 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.903 107.8 51.0 -52.8 -46.3 -94.2 26.1 22.6 734 366 B L H X S+ 0 0 32 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.817 105.8 55.6 -66.0 -30.8 -95.6 25.2 19.2 735 367 B A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.927 110.0 45.6 -62.9 -48.9 -92.4 23.4 18.3 736 368 B L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.906 116.8 44.9 -56.6 -48.0 -92.7 21.3 21.5 737 369 B E H X S+ 0 0 73 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.845 114.1 46.7 -72.2 -37.2 -96.4 20.5 20.8 738 370 B T H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.865 113.8 50.7 -72.1 -31.3 -96.1 19.8 17.0 739 371 B G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.920 109.9 49.8 -68.3 -44.7 -93.1 17.5 17.9 740 372 B T H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 112.2 46.9 -57.9 -48.5 -95.1 15.7 20.5 741 373 B A H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.884 110.6 53.7 -61.0 -41.9 -98.0 15.2 18.1 742 374 B F H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.928 111.5 44.7 -60.7 -48.0 -95.5 14.0 15.4 743 375 B I H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.957 119.3 41.5 -60.0 -50.7 -94.0 11.4 17.7 744 376 B E H 3< S+ 0 0 76 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.766 123.6 35.7 -71.1 -28.5 -97.4 10.1 19.0 745 377 B K H >X S+ 0 0 85 -4,-2.5 3,-3.1 -5,-0.2 4,-1.1 0.361 79.0 117.0-105.9 1.7 -99.3 10.2 15.7 746 378 B R T << S+ 0 0 23 -4,-0.9 -47,-0.2 -3,-0.5 -1,-0.1 0.721 79.4 45.1 -47.3 -34.1 -96.5 9.1 13.4 747 379 B S T 34 S+ 0 0 77 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.400 105.5 61.9 -94.0 -0.4 -98.2 5.8 12.4 748 380 B E T <4 S+ 0 0 130 -3,-3.1 -2,-0.2 -52,-0.1 -1,-0.2 0.718 79.7 94.6 -94.6 -28.4 -101.7 7.4 11.8 749 381 B F < - 0 0 24 -4,-1.1 3,-0.1 1,-0.1 -50,-0.1 -0.435 50.9-171.9 -64.2 140.7 -100.6 9.8 9.0 750 382 B K + 0 0 80 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.745 66.7 14.2-103.5 -32.5 -101.3 8.3 5.5 751 383 B T S > S- 0 0 68 1,-0.1 4,-1.1 -56,-0.0 3,-0.5 -0.900 77.7-105.7-138.3 165.5 -99.5 11.0 3.4 752 384 B I H > S+ 0 0 9 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.868 118.5 63.7 -57.7 -37.2 -97.1 14.0 3.7 753 385 B T H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.861 97.9 54.4 -54.2 -42.0 -100.2 16.3 3.2 754 386 B D H > S+ 0 0 72 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.885 108.8 49.8 -60.1 -39.1 -101.6 14.9 6.5 755 387 B V H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.961 114.7 42.0 -63.4 -54.6 -98.4 15.9 8.2 756 388 B I H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.956 115.2 50.5 -55.2 -54.2 -98.4 19.4 6.8 757 389 B E H X S+ 0 0 98 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.868 110.7 49.1 -56.5 -41.8 -102.2 19.9 7.4 758 390 B L H X S+ 0 0 33 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.939 113.4 47.5 -60.0 -48.3 -101.9 18.8 11.0 759 391 B F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.937 110.7 50.6 -57.6 -52.8 -98.9 21.2 11.6 760 392 B K H < S+ 0 0 48 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.882 111.8 49.3 -51.9 -45.3 -100.8 24.1 9.9 761 393 B L H >< S+ 0 0 103 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.942 112.1 46.0 -60.1 -51.1 -103.8 23.5 12.2 762 394 B L H 3< S+ 0 0 60 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.827 114.4 48.6 -64.7 -32.2 -101.8 23.3 15.4 763 395 B V T 3< 0 0 9 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.388 360.0 360.0 -94.5 2.3 -99.8 26.5 14.5 764 396 B K < 0 0 196 -3,-1.0 -3,-0.1 -4,-0.5 -4,-0.0 -0.382 360.0 360.0 -54.7 360.0 -102.8 28.6 13.6