==== 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 29-MAR-07 2PBR . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,N.NAKAGA . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 5.1 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 2 0 2 2 0 0 5 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 1 A M 0 0 51 0, 0.0 85,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.1 15.3 2.4 3.3 2 2 A L E -a 86 0A 2 120,-0.2 122,-2.6 83,-0.2 123,-1.2 -0.935 360.0-171.5-117.5 125.2 11.6 1.5 2.9 3 3 A I E -ab 87 125A 0 83,-3.2 85,-2.8 -2,-0.5 2,-0.4 -0.949 9.1-163.7-116.0 128.6 9.1 3.5 0.7 4 4 A A E -ab 88 126A 0 121,-2.2 123,-3.4 -2,-0.5 2,-0.4 -0.937 10.7-155.1-121.9 133.8 5.4 2.7 0.8 5 5 A F E +ab 89 127A 0 83,-2.8 85,-1.4 -2,-0.4 2,-0.3 -0.846 21.5 175.6-100.7 134.7 2.5 3.6 -1.5 6 6 A E E + b 0 128A 0 121,-2.8 123,-3.2 -2,-0.4 2,-0.2 -0.938 18.5 98.5-136.2 157.2 -1.0 3.8 0.0 7 7 A G - 0 0 0 -2,-0.3 123,-0.1 121,-0.2 3,-0.1 -0.741 64.8 -57.7 145.9 166.5 -4.4 4.8 -1.3 8 8 A I S > S- 0 0 3 121,-0.4 3,-1.5 -2,-0.2 5,-0.3 -0.159 71.1 -74.0 -69.7 167.6 -7.7 3.5 -2.7 9 9 A D T 3 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.1 131,-0.1 -0.361 121.2 28.2 -60.2 140.7 -8.0 1.4 -5.8 10 10 A G T 3 S+ 0 0 18 -3,-0.1 -1,-0.2 129,-0.1 129,-0.1 0.519 82.2 114.0 84.8 5.7 -7.4 3.4 -8.9 11 11 A S S < S- 0 0 2 -3,-1.5 -2,-0.1 -4,-0.1 -5,-0.1 0.434 91.3-108.7 -87.4 1.0 -5.1 6.0 -7.2 12 12 A G > + 0 0 22 -4,-0.1 4,-2.6 124,-0.1 5,-0.3 0.739 69.3 145.2 81.0 26.2 -2.2 4.7 -9.4 13 13 A K H > S+ 0 0 13 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.948 73.8 42.9 -61.3 -51.2 -0.2 3.0 -6.7 14 14 A T H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 116.3 48.2 -62.5 -45.2 1.1 0.1 -8.9 15 15 A T H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.945 116.7 41.6 -61.1 -49.8 1.9 2.4 -11.8 16 16 A Q H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.841 111.8 54.9 -68.7 -34.2 3.7 5.0 -9.7 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.891 109.8 47.9 -66.1 -37.5 5.5 2.4 -7.6 18 18 A K H X S+ 0 0 127 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.904 109.4 52.8 -67.9 -42.6 6.9 0.8 -10.8 19 19 A K H X S+ 0 0 37 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.926 110.9 47.2 -58.6 -44.5 7.9 4.3 -12.1 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.887 108.8 55.0 -65.0 -39.0 9.8 4.8 -8.8 21 21 A Y H X S+ 0 0 63 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 111.8 43.6 -57.4 -49.1 11.4 1.4 -9.1 22 22 A E H X S+ 0 0 71 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 114.6 49.2 -62.8 -46.6 12.7 2.2 -12.6 23 23 A Y H X S+ 0 0 64 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.934 114.3 44.0 -60.4 -49.1 13.9 5.7 -11.7 24 24 A L H <>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 4,-0.5 0.877 112.5 52.6 -65.0 -39.6 15.8 4.5 -8.5 25 25 A K H ><5S+ 0 0 89 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.910 109.2 48.7 -64.4 -42.6 17.3 1.6 -10.3 26 26 A Q H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.5 59.7 -68.0 -26.2 18.7 3.7 -13.1 27 27 A K T 3<5S- 0 0 98 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.610 126.5-100.1 -76.7 -11.7 20.1 6.1 -10.5 28 28 A G T < 5S+ 0 0 55 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.1 0.401 77.5 133.1 111.2 -3.9 22.2 3.2 -9.1 29 29 A Y < - 0 0 57 -5,-2.1 2,-0.7 1,-0.1 -1,-0.3 -0.487 59.5-121.7 -79.3 152.6 20.2 2.0 -6.1 30 30 A F - 0 0 140 53,-0.4 55,-3.3 -2,-0.1 2,-0.3 -0.867 44.7-168.0 -91.3 120.1 19.6 -1.7 -5.6 31 31 A V E -c 85 0A 10 -2,-0.7 2,-0.4 53,-0.2 55,-0.2 -0.869 24.1-168.7-121.8 151.7 15.8 -1.9 -5.5 32 32 A S E -c 86 0A 8 53,-2.7 55,-3.3 -2,-0.3 2,-0.4 -0.990 6.6-164.6-131.7 140.2 13.1 -4.3 -4.6 33 33 A L E +c 87 0A 59 -2,-0.4 2,-0.4 53,-0.2 55,-0.2 -0.990 12.3 174.9-129.9 123.0 9.4 -3.9 -5.3 34 34 A Y E -c 88 0A 33 53,-2.5 55,-2.5 -2,-0.4 2,-0.4 -0.968 16.5-151.6-129.6 145.7 6.7 -6.1 -3.5 35 35 A R E -c 89 0A 92 -2,-0.4 55,-0.2 53,-0.2 56,-0.1 -0.960 31.6 -97.6-118.6 134.6 3.0 -6.0 -3.6 36 36 A E S S+ 0 0 9 53,-1.8 2,-0.2 -2,-0.4 3,-0.1 -0.757 98.1 34.9 -98.7 143.3 0.8 -7.2 -0.7 37 37 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.681 123.4 22.6 -79.3 174.4 -0.6 -9.6 -0.2 38 38 A G + 0 0 0 -2,-0.2 33,-0.1 26,-0.2 3,-0.1 -0.745 47.8 135.7 108.5-159.6 2.0 -11.9 -1.8 39 39 A G S S+ 0 0 20 1,-0.3 2,-0.2 -2,-0.3 -3,-0.1 0.099 75.1 57.8 98.5 -23.9 5.7 -11.4 -2.4 40 40 A T S > S- 0 0 3 1,-0.1 4,-2.0 27,-0.0 -1,-0.3 -0.768 92.4-103.8-130.1 177.1 6.6 -14.8 -1.1 41 41 A K H > S+ 0 0 126 -2,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.916 123.8 38.0 -69.2 -46.0 5.8 -18.5 -1.8 42 42 A V H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.876 112.9 59.4 -71.9 -38.3 3.5 -18.9 1.2 43 43 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 103.0 50.9 -56.2 -45.9 2.2 -15.3 0.7 44 44 A E H X S+ 0 0 100 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.872 107.6 54.0 -59.9 -39.2 1.0 -16.2 -2.9 45 45 A V H X S+ 0 0 72 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.902 111.7 44.3 -62.0 -41.8 -0.8 -19.3 -1.4 46 46 A L H X S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.844 108.2 61.1 -71.2 -32.3 -2.6 -17.0 1.0 47 47 A R H X S+ 0 0 58 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.917 103.6 47.4 -60.1 -46.3 -3.2 -14.5 -1.8 48 48 A E H X S+ 0 0 92 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.898 110.4 53.0 -64.1 -39.3 -5.3 -17.0 -3.8 49 49 A I H X S+ 0 0 43 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.970 109.0 48.9 -58.2 -53.8 -7.3 -18.0 -0.7 50 50 A L H < S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.805 118.5 41.7 -54.5 -33.0 -8.1 -14.3 -0.1 51 51 A L H < S+ 0 0 118 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.845 121.9 35.7 -86.3 -36.2 -9.1 -14.0 -3.7 52 52 A T H < S+ 0 0 94 -4,-3.4 2,-0.3 -5,-0.1 -2,-0.2 -0.003 104.6 74.0-110.6 30.4 -11.1 -17.2 -4.2 53 53 A E S < S- 0 0 121 -4,-0.6 2,-0.6 -3,-0.2 0, 0.0 -0.998 75.6-117.7-145.2 146.5 -12.8 -17.8 -0.9 54 54 A E + 0 0 195 -2,-0.3 2,-0.4 0, 0.0 -3,-0.1 -0.717 47.2 174.0 -79.9 121.7 -15.7 -16.5 1.1 55 55 A L - 0 0 55 -2,-0.6 2,-0.1 -5,-0.1 -2,-0.0 -0.988 33.9-123.7-136.1 143.7 -14.2 -15.0 4.3 56 56 A D > - 0 0 83 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.436 41.2-106.1 -74.5 158.9 -15.5 -13.1 7.2 57 57 A E H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.795 116.6 54.5 -59.4 -32.5 -13.5 -9.8 7.8 58 58 A R H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 110.1 44.5 -69.7 -44.0 -11.6 -11.1 10.8 59 59 A T H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.885 112.3 54.6 -65.6 -38.7 -10.2 -14.2 9.0 60 60 A E H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.916 107.6 49.2 -61.0 -44.4 -9.4 -12.0 6.0 61 61 A L H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.933 109.7 51.5 -60.7 -46.9 -7.4 -9.6 8.2 62 62 A L H X S+ 0 0 94 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.828 110.3 48.3 -62.1 -33.9 -5.4 -12.4 9.8 63 63 A L H X S+ 0 0 35 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 111.5 49.7 -74.2 -38.0 -4.5 -13.9 6.4 64 64 A F H X S+ 0 0 52 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.961 113.3 47.1 -59.9 -51.8 -3.4 -10.4 5.1 65 65 A E H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.858 110.1 53.7 -58.8 -37.9 -1.3 -10.0 8.2 66 66 A A H X S+ 0 0 41 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.902 107.9 49.2 -66.4 -41.0 0.1 -13.5 7.8 67 67 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 113.1 48.5 -63.8 -39.0 1.2 -12.7 4.2 68 68 A R H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.928 108.2 53.6 -65.5 -46.4 2.8 -9.5 5.5 69 69 A S H X S+ 0 0 34 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.931 112.1 44.9 -52.9 -50.0 4.6 -11.4 8.4 70 70 A K H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.909 114.1 48.3 -63.2 -43.7 6.1 -13.8 5.9 71 71 A L H X>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-1.8 0.867 111.4 52.4 -65.7 -37.1 7.1 -11.1 3.4 72 72 A I H <>S+ 0 0 0 -4,-2.9 5,-2.8 3,-0.2 -2,-0.2 0.938 117.9 33.2 -65.1 -49.1 8.7 -9.0 6.2 73 73 A E H <5S+ 0 0 101 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.844 123.7 43.9 -81.1 -31.4 10.9 -11.7 7.7 74 74 A E H <5S- 0 0 50 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.865 135.3 -1.5 -81.2 -37.3 11.7 -13.6 4.4 75 75 A K T X5S+ 0 0 43 -4,-1.8 4,-2.4 -5,-0.3 -3,-0.2 0.785 122.5 51.8-120.2 -54.8 12.4 -10.6 2.1 76 76 A I H > S+ 0 0 54 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.897 112.7 51.5 -62.8 -35.2 16.9 -9.1 4.7 79 79 A D H <>S+ 0 0 12 -4,-2.4 5,-2.3 1,-0.2 3,-0.3 0.926 109.4 48.8 -64.6 -45.9 16.6 -6.5 1.9 80 80 A L H ><5S+ 0 0 44 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.891 106.5 55.9 -62.5 -39.8 17.0 -3.6 4.3 81 81 A K H 3<5S+ 0 0 182 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.6 52.0 -61.8 -30.7 20.1 -5.2 6.0 82 82 A R T 3<5S- 0 0 154 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.159 118.9-113.5 -90.3 16.9 21.6 -5.3 2.5 83 83 A D T < 5 + 0 0 140 -3,-2.0 -53,-0.4 1,-0.2 2,-0.3 0.792 63.4 153.9 55.1 33.4 20.9 -1.6 2.0 84 84 A K < - 0 0 35 -5,-2.3 2,-0.6 -6,-0.1 -53,-0.2 -0.696 50.1-117.5 -89.2 143.3 18.4 -2.3 -0.8 85 85 A V E - c 0 31A 5 -55,-3.3 -53,-2.7 -2,-0.3 2,-0.5 -0.737 31.4-152.7 -81.3 120.9 15.7 0.3 -1.3 86 86 A V E -ac 2 32A 0 -85,-2.8 -83,-3.2 -2,-0.6 2,-0.5 -0.858 9.8-167.2-101.6 124.5 12.4 -1.5 -0.7 87 87 A I E -ac 3 33A 0 -55,-3.3 -53,-2.5 -2,-0.5 2,-0.5 -0.937 4.9-157.8-113.1 127.9 9.3 -0.3 -2.4 88 88 A L E -ac 4 34A 0 -85,-2.8 -83,-2.8 -2,-0.5 2,-0.9 -0.916 15.0-154.8-114.4 128.3 5.8 -1.4 -1.4 89 89 A D E S-ac 5 35A 3 -55,-2.5 -53,-1.8 -2,-0.5 -83,-0.1 -0.881 86.8 -8.7 -93.2 106.9 2.7 -1.4 -3.4 90 90 A R S S+ 0 0 47 -85,-1.4 2,-0.3 -2,-0.9 -85,-0.2 0.237 80.0 168.4 77.8 155.0 0.2 -1.2 -0.5 91 91 A F >> - 0 0 0 -87,-0.1 3,-1.2 -56,-0.1 4,-1.2 -0.927 52.2 -37.8-173.4-166.6 1.3 -1.6 3.2 92 92 A V H 3> S+ 0 0 19 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.722 123.9 59.3 -43.7 -38.2 0.1 -1.2 6.8 93 93 A L H 3> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.902 103.1 52.7 -63.0 -41.4 -1.9 2.0 6.2 94 94 A S H <> S+ 0 0 9 -3,-1.2 4,-3.0 1,-0.2 5,-0.4 0.901 104.3 56.0 -61.8 -40.5 -4.1 0.3 3.6 95 95 A T H X>S+ 0 0 10 -4,-1.2 4,-2.1 1,-0.2 5,-0.7 0.926 111.7 44.2 -57.5 -43.9 -4.9 -2.5 6.1 96 96 A I H X>S+ 0 0 1 -4,-1.6 4,-1.5 3,-0.2 5,-1.5 0.939 115.4 45.9 -67.0 -48.4 -6.2 0.1 8.6 97 97 A A H <>S+ 0 0 0 -4,-2.7 5,-1.2 3,-0.2 -2,-0.2 0.901 123.1 34.8 -63.0 -41.7 -8.1 2.2 6.1 98 98 A Y H <>S+ 0 0 24 -4,-3.0 5,-1.8 -5,-0.2 6,-0.2 0.961 128.2 31.3 -79.2 -55.4 -9.8 -0.8 4.4 99 99 A Q H <5S+ 0 0 8 -4,-2.1 6,-2.5 -5,-0.4 -3,-0.2 0.816 131.6 34.5 -74.1 -32.0 -10.3 -3.3 7.3 100 100 A G T X - 0 0 57 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.428 37.7-157.0 -66.1 113.1 -10.9 -2.0 15.5 107 107 A V H > S+ 0 0 0 -2,-0.5 4,-2.4 230,-0.3 5,-0.2 0.879 92.0 52.1 -54.8 -44.7 -8.4 0.5 14.2 108 108 A E H > S+ 0 0 77 229,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 111.1 46.9 -61.2 -45.8 -6.3 0.3 17.4 109 109 A F H > S+ 0 0 105 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.913 110.2 53.2 -62.2 -43.9 -6.1 -3.5 17.3 110 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.928 107.7 51.1 -58.6 -44.6 -5.2 -3.4 13.6 111 111 A K H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 48.4 -58.7 -42.8 -2.3 -1.0 14.3 112 112 A N H X S+ 0 0 100 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.924 112.4 48.0 -62.9 -44.3 -1.1 -3.4 17.0 113 113 A L H X S+ 0 0 28 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.877 108.1 55.4 -64.7 -37.3 -1.4 -6.4 14.7 114 114 A N H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 6,-0.2 0.957 107.4 50.5 -56.8 -51.9 0.5 -4.4 12.0 115 115 A E H X>S+ 0 0 112 -4,-2.3 5,-1.4 1,-0.2 4,-1.1 0.851 110.0 49.4 -54.0 -42.5 3.3 -3.9 14.4 116 116 A F H <5S+ 0 0 159 -4,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.942 111.6 48.2 -66.2 -47.2 3.5 -7.6 15.3 117 117 A A H <5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.0 39.1 -62.4 -36.9 3.5 -8.7 11.6 118 118 A T H ><5S- 0 0 4 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.545 101.1-128.0 -92.3 -8.4 6.3 -6.1 10.7 119 119 A R T 3<5S- 0 0 120 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.806 75.4 -55.1 65.8 26.5 8.3 -6.5 13.9 120 120 A G T 3 > - 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0 0 102 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.411 34.7-151.9 -63.2 118.6 -14.6 35.0 24.3 303 107 B V H > S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.868 93.9 51.3 -58.9 -42.8 -17.3 33.3 26.3 304 108 B E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 110.1 49.9 -65.7 -37.9 -19.5 36.4 26.5 305 109 B F H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 110.9 50.2 -65.9 -37.5 -19.3 36.9 22.8 306 110 B I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.932 109.6 50.6 -65.3 -43.6 -20.3 33.3 22.3 307 111 B K H X S+ 0 0 64 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.910 111.2 48.5 -60.0 -42.2 -23.2 33.7 24.6 308 112 B N H X S+ 0 0 110 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.884 112.5 48.5 -65.2 -37.3 -24.4 36.7 22.7 309 113 B L H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 110.2 51.0 -69.8 -40.2 -24.0 34.9 19.4 310 114 B N H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 6,-0.2 0.939 108.6 52.8 -60.3 -47.1 -25.9 31.9 20.8 311 115 B E H X>S+ 0 0 96 -4,-2.4 5,-1.6 1,-0.2 4,-0.8 0.905 109.2 49.7 -54.2 -46.5 -28.7 34.3 21.9 312 116 B F H ><5S+ 0 0 160 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.921 111.6 47.0 -60.1 -47.9 -28.9 35.7 18.4 313 117 B A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -44,-0.2 0.853 119.3 38.8 -65.2 -37.0 -29.1 32.3 16.6 314 118 B T H ><5S- 0 0 5 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 0.404 100.7-127.3 -95.3 1.1 -31.8 30.9 19.0 315 119 B R T <<5S- 0 0 114 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.881 74.9 -56.0 53.9 38.0 -33.8 34.2 19.4 316 120 B G T 3 > - 0 0 45 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.406 36.8-124.3 -64.2 141.2 -14.0 11.3 32.5 329 133 B V H 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.866 108.0 60.1 -54.2 -39.5 -12.2 11.9 29.3 330 134 B D H 3> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 108.4 43.2 -58.5 -38.5 -10.4 8.5 29.5 331 135 B I H <> S+ 0 0 44 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.898 112.8 52.2 -74.8 -39.9 -13.7 6.6 29.4 332 136 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 110.2 50.5 -59.8 -42.7 -15.1 8.8 26.7 333 137 B L H X S+ 0 0 28 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.902 107.2 51.8 -63.8 -43.2 -11.9 8.1 24.6 334 138 B R H X S+ 0 0 143 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.955 111.4 48.3 -58.0 -48.4 -12.2 4.4 25.1 335 139 B R H < S+ 0 0 79 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.828 110.0 51.5 -62.1 -33.6 -15.8 4.5 23.9 336 140 B L H ><>S+ 0 0 7 -4,-1.9 5,-2.6 1,-0.2 3,-1.2 0.877 105.2 55.4 -71.3 -37.1 -14.9 6.6 20.9 337 141 B K H ><5S+ 0 0 57 -4,-2.3 3,-2.3 1,-0.3 -230,-0.3 0.849 98.0 63.8 -63.3 -32.9 -12.1 4.2 19.8 338 142 B E T 3<5S+ 0 0 142 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.767 108.2 41.4 -61.7 -25.1 -14.7 1.5 19.8 339 143 B K T < 5S- 0 0 133 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.149 125.7-106.4-104.7 15.3 -16.3 3.5 17.0 340 144 B N T < 5S+ 0 0 22 -3,-2.3 2,-0.4 1,-0.2 -3,-0.3 0.879 77.2 135.9 60.6 41.4 -12.9 4.2 15.5 341 145 B R < - 0 0 101 -5,-2.6 2,-0.5 -8,-0.2 -1,-0.2 -0.956 35.2-167.2-118.2 136.9 -13.0 7.8 16.6 342 146 B F - 0 0 81 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.954 8.5-177.0-130.7 113.4 -9.9 9.3 18.1 343 147 B E - 0 0 76 -2,-0.5 2,-0.7 -10,-0.1 -6,-0.0 -0.681 36.2 -93.2-108.8 163.6 -10.1 12.7 19.9 344 148 B N > - 0 0 95 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.634 28.2-159.2 -78.6 109.9 -7.5 14.9 21.5 345 149 B K H > S+ 0 0 96 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.923 90.8 51.1 -52.7 -52.3 -7.2 14.2 25.3 346 150 B E H > S+ 0 0 147 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 113.1 46.4 -53.8 -45.9 -5.7 17.5 26.2 347 151 B F H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.9 49.8 -64.4 -46.4 -8.4 19.4 24.3 348 152 B L H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.832 103.5 59.2 -64.9 -32.7 -11.2 17.3 25.8 349 153 B E H X S+ 0 0 71 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.937 108.5 46.3 -61.4 -43.1 -10.0 17.8 29.4 350 154 B K H X S+ 0 0 96 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.914 113.7 48.1 -63.5 -43.5 -10.4 21.5 28.9 351 155 B V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 108.8 53.9 -65.3 -39.0 -13.8 21.1 27.4 352 156 B R H X S+ 0 0 60 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.940 109.4 47.7 -59.9 -48.6 -15.0 18.8 30.1 353 157 B K H X S+ 0 0 152 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.875 108.5 57.0 -59.4 -38.5 -14.0 21.4 32.8 354 158 B G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.929 105.4 49.2 -59.1 -46.7 -15.8 24.0 30.8 355 159 B F H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.913 110.3 51.3 -59.4 -44.8 -19.0 22.1 30.9 356 160 B L H X S+ 0 0 54 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.861 109.9 48.6 -63.9 -36.4 -18.8 21.6 34.6 357 161 B E H >X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 3,-1.2 0.934 111.4 50.6 -67.9 -43.2 -18.2 25.3 35.2 358 162 B L H 3X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.828 101.1 63.0 -61.3 -34.1 -21.2 26.2 33.0 359 163 B A H 3< S+ 0 0 18 -4,-1.9 -1,-0.3 1,-0.2 6,-0.2 0.737 108.2 43.3 -64.6 -22.3 -23.3 23.7 34.9 360 164 B K H << S+ 0 0 153 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.875 112.1 50.1 -89.4 -43.3 -22.8 25.9 38.0 361 165 B E H < S+ 0 0 165 -4,-1.9 2,-0.3 2,-0.1 -2,-0.2 0.647 106.7 54.3 -73.7 -17.8 -23.3 29.3 36.5 362 166 B E S >< S- 0 0 64 -4,-1.5 3,-0.5 1,-0.1 0, 0.0 -0.874 79.3 -87.4-132.9 165.1 -26.6 28.8 34.7 363 167 B E T 3 S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.067 88.8 2.3 -60.0 146.8 -30.2 27.7 34.7 364 168 B N T 3 S+ 0 0 91 1,-0.2 -42,-3.2 -43,-0.1 2,-0.5 0.728 79.1 139.8 51.3 38.9 -31.8 24.3 34.3 365 169 B V E < -h 322 0B 24 -3,-0.5 2,-0.5 -6,-0.2 -42,-0.2 -0.937 31.1-166.4-113.7 128.2 -28.8 22.0 33.9 366 170 B V E -h 323 0B 53 -44,-3.2 -42,-2.6 -2,-0.5 2,-0.6 -0.952 18.5-135.0-112.3 127.6 -28.7 18.6 35.5 367 171 B V E -h 324 0B 67 -2,-0.5 2,-0.4 -44,-0.2 -42,-0.2 -0.715 21.8-161.3 -83.7 122.0 -25.3 16.9 35.7 368 172 B I E -h 325 0B 1 -44,-3.5 -42,-2.6 -2,-0.6 2,-1.4 -0.870 21.8-128.0-105.7 136.2 -25.7 13.2 34.7 369 173 B D E > +h 326 0B 86 -2,-0.4 3,-0.7 1,-0.2 -42,-0.2 -0.702 33.5 174.5 -80.9 95.8 -23.1 10.6 35.6 370 174 B A T 3 + 0 0 2 -44,-2.6 -1,-0.2 -2,-1.4 -43,-0.2 0.292 55.9 91.1 -87.8 11.5 -22.7 9.3 32.0 371 175 B S T 3 S+ 0 0 38 -45,-0.4 -1,-0.2 6,-0.1 3,-0.1 0.715 73.6 80.1 -77.9 -21.8 -19.8 7.0 33.1 372 176 B G S < S- 0 0 30 -3,-0.7 2,-0.1 1,-0.2 0, 0.0 0.124 95.4 -64.8 -73.3-168.8 -22.1 4.1 33.8 373 177 B E > - 0 0 140 1,-0.1 4,-2.5 4,-0.0 5,-0.3 -0.388 54.0-100.6 -78.1 158.7 -23.8 1.5 31.5 374 178 B E H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 117.5 43.2 -46.2 -59.4 -26.3 2.6 28.9 375 179 B E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 115.9 49.5 -61.0 -36.3 -29.6 1.6 30.7 376 180 B E H > S+ 0 0 104 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 111.3 48.6 -70.5 -38.0 -28.4 3.0 34.0 377 181 B V H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 112.8 49.4 -65.2 -44.1 -27.4 6.3 32.4 378 182 B F H X S+ 0 0 13 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.873 109.1 51.2 -63.0 -39.0 -30.7 6.4 30.7 379 183 B K H X S+ 0 0 97 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.859 107.9 52.6 -67.4 -34.6 -32.6 5.8 33.9 380 184 B E H X S+ 0 0 58 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.888 108.5 52.2 -66.8 -36.2 -30.6 8.6 35.6 381 185 B I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.903 106.2 52.4 -64.9 -42.8 -31.8 10.8 32.8 382 186 B L H X S+ 0 0 13 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.876 108.3 51.9 -61.8 -37.6 -35.4 9.9 33.3 383 187 B R H < S+ 0 0 148 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.880 109.7 47.7 -66.9 -38.6 -35.2 10.8 36.9 384 188 B A H >< S+ 0 0 21 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.830 113.4 50.6 -70.1 -30.1 -33.7 14.2 36.1 385 189 B L H >X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 3,-1.9 0.681 89.2 77.5 -79.9 -20.0 -36.5 14.6 33.6 386 190 B S T 3< S+ 0 0 57 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.699 85.2 68.1 -64.0 -14.7 -39.2 13.7 36.1 387 191 B G T <4 S+ 0 0 58 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.669 117.4 18.2 -78.3 -17.1 -38.7 17.2 37.4 388 192 B V T <4 S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.539 132.6 40.4-123.7 -23.6 -40.1 18.8 34.2 389 193 B L S < S- 0 0 13 -4,-3.0 2,-1.1 -7,-0.2 -1,-0.3 -0.919 85.2-117.0-125.1 151.8 -42.0 15.8 32.7 390 194 B R 0 0 176 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.743 360.0 360.0 -95.9 94.5 -44.1 13.2 34.6 391 195 B V 0 0 65 -2,-1.1 -1,-0.2 -9,-0.2 -5,-0.1 0.473 360.0 360.0-130.9 360.0 -42.4 9.8 34.1