==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-06 2CCK . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.KOTAKA,B.DHALIWAL,J.REN,C.E.NICHOLS,R.ANGELL,M.LOCKYER, . 384 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.7 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 . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.6 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 2 0 0 2 2 3 1 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 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 2 A S 0 0 97 0, 0.0 2,-0.3 0, 0.0 84,-0.2 0.000 360.0 360.0 360.0 157.5 -27.5 14.2 98.2 2 3 A A E -a 85 0A 2 82,-1.6 84,-3.7 2,-0.0 2,-0.8 -0.948 360.0-154.3-152.7 126.2 -30.0 17.1 98.4 3 4 A F E -a 86 0A 0 -2,-0.3 121,-2.1 82,-0.2 122,-1.7 -0.892 23.5-179.3-102.6 106.5 -29.5 20.8 98.0 4 5 A I E -ab 87 125A 0 82,-3.5 84,-3.4 -2,-0.8 2,-0.2 -0.930 5.9-168.3-114.6 119.7 -32.2 22.5 100.0 5 6 A T E -ab 88 126A 0 120,-2.1 122,-2.4 -2,-0.5 2,-0.4 -0.681 10.8-144.5-102.8 157.6 -32.5 26.3 100.2 6 7 A F E -ab 89 127A 0 82,-2.3 84,-2.2 -2,-0.2 2,-0.3 -0.986 20.6-179.3-123.1 130.8 -34.7 28.4 102.5 7 8 A E E + b 0 128A 0 120,-2.9 122,-3.0 -2,-0.4 82,-0.0 -0.937 18.0 113.6-131.4 152.2 -36.3 31.6 101.4 8 9 A G - 0 0 0 -2,-0.3 122,-0.1 120,-0.2 3,-0.1 -0.856 55.4 -87.2 162.6 163.6 -38.5 34.3 102.9 9 10 A P > - 0 0 1 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.277 63.6 -73.7 -82.5 177.1 -38.7 37.9 104.0 10 11 A E T 3 S+ 0 0 93 1,-0.2 130,-0.1 2,-0.1 129,-0.1 -0.401 120.9 38.8 -66.8 152.2 -37.5 39.1 107.4 11 12 A G T 3 S+ 0 0 14 128,-0.1 -1,-0.2 -3,-0.1 128,-0.2 0.616 80.3 109.2 82.5 12.6 -40.0 38.1 110.1 12 13 A S S < S- 0 0 1 -3,-1.0 -2,-0.1 119,-0.1 5,-0.1 0.376 89.5-116.1 -99.9 3.9 -40.8 34.7 108.6 13 14 A G > + 0 0 15 123,-0.1 4,-2.7 -4,-0.1 5,-0.2 0.763 63.8 150.2 68.5 25.7 -39.0 32.8 111.4 14 15 A K H > + 0 0 16 -5,-0.3 4,-2.4 1,-0.2 5,-0.3 0.857 66.4 53.0 -57.8 -41.0 -36.4 31.5 108.9 15 16 A T H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 112.7 43.0 -61.8 -51.0 -33.6 31.4 111.5 16 17 A T H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.932 114.0 52.9 -60.8 -47.3 -35.7 29.3 113.9 17 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.940 109.9 44.6 -55.3 -55.1 -37.0 27.1 111.2 18 19 A I H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 115.0 49.3 -59.2 -42.3 -33.7 26.1 109.7 19 20 A N H X S+ 0 0 69 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.936 114.9 42.7 -65.6 -45.5 -32.1 25.5 113.0 20 21 A E H X S+ 0 0 93 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.853 115.6 48.5 -69.7 -35.0 -34.9 23.3 114.4 21 22 A V H >X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 3,-0.7 0.940 110.6 52.8 -69.3 -44.8 -35.3 21.3 111.1 22 23 A Y H 3X S+ 0 0 61 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.939 106.4 52.5 -52.8 -51.8 -31.6 20.8 111.0 23 24 A H H 3< S+ 0 0 111 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.753 113.8 43.4 -59.5 -25.7 -31.6 19.4 114.6 24 25 A R H X< S+ 0 0 76 -4,-1.0 3,-0.9 -3,-0.7 4,-0.4 0.848 113.7 48.4 -87.4 -38.5 -34.3 16.9 113.7 25 26 A L H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-1.4 0.837 96.1 73.3 -69.6 -33.2 -32.9 15.8 110.3 26 27 A V T 3< S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 0.707 83.6 70.5 -55.4 -21.1 -29.5 15.3 111.7 27 28 A K T <4 S+ 0 0 158 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.908 120.6 10.4 -64.4 -41.4 -30.7 12.1 113.5 28 29 A D T <4 S+ 0 0 129 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.569 120.3 69.1-115.1 -13.8 -31.1 10.2 110.2 29 30 A Y S < S- 0 0 46 -4,-2.8 2,-1.9 2,-0.0 55,-0.1 -0.834 74.4-126.3-116.9 150.3 -29.3 12.4 107.6 30 31 A D + 0 0 87 -2,-0.3 55,-2.7 53,-0.2 2,-0.3 -0.695 60.9 160.7 -84.6 84.4 -25.8 13.4 106.9 31 32 A V E -c 85 0A 8 -2,-1.9 2,-0.3 53,-0.2 55,-0.2 -0.851 27.9-176.1-116.6 149.9 -26.9 17.0 106.9 32 33 A I E -c 86 0A 41 53,-2.1 55,-2.7 -2,-0.3 2,-0.4 -0.968 16.6-141.9-136.8 150.2 -25.2 20.3 107.3 33 34 A M E +c 87 0A 64 -2,-0.3 2,-0.3 53,-0.2 55,-0.2 -0.947 28.0 168.5-116.3 139.2 -26.7 23.8 107.5 34 35 A T E -c 88 0A 11 53,-3.2 55,-2.7 -2,-0.4 2,-0.3 -0.937 23.4-161.7-144.9 167.5 -25.0 26.8 105.9 35 36 A R > - 0 0 160 -2,-0.3 3,-1.9 53,-0.2 4,-0.1 -0.924 48.1 -64.9-154.3 123.9 -25.4 30.4 104.9 36 37 A E T 3 S+ 0 0 12 53,-0.4 32,-0.1 54,-0.4 31,-0.0 -0.198 123.0 16.4 -51.2 137.1 -23.3 32.3 102.3 37 38 A P T > S- 0 0 22 0, 0.0 3,-1.9 0, 0.0 -1,-0.4 -0.989 84.7-177.0 -80.2 -2.0 -20.3 32.9 102.5 38 39 A G T < S- 0 0 22 -3,-1.9 -2,-0.1 1,-0.3 5,-0.0 0.790 73.2 -50.6 49.9 40.0 -20.4 30.2 105.2 39 40 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 -4,-0.1 -3,-0.1 0.243 93.3 142.6 89.0 -16.9 -16.8 30.5 106.3 40 41 A V <> - 0 0 12 -3,-1.9 4,-2.9 1,-0.1 -1,-0.3 -0.491 48.8-139.5 -64.0 118.8 -15.2 30.3 102.8 41 42 A P H > S+ 0 0 91 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.878 99.4 41.8 -43.8 -60.5 -12.2 32.8 102.9 42 43 A T H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 115.5 53.0 -59.8 -41.5 -12.6 34.3 99.4 43 44 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 112.0 44.9 -57.5 -45.6 -16.4 34.4 100.0 44 45 A E H X S+ 0 0 95 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.896 112.0 52.2 -64.1 -43.5 -15.7 36.3 103.3 45 46 A E H X S+ 0 0 86 -4,-3.2 4,-1.0 -5,-0.2 -2,-0.2 0.922 111.2 47.4 -58.7 -45.6 -13.2 38.5 101.6 46 47 A I H >X S+ 0 0 0 -4,-3.0 4,-0.9 2,-0.2 3,-0.8 0.944 111.8 48.5 -63.4 -50.3 -15.7 39.4 98.9 47 48 A R H >X S+ 0 0 86 -4,-2.5 4,-1.8 1,-0.2 3,-1.7 0.956 105.7 58.8 -52.8 -55.4 -18.6 40.1 101.3 48 49 A K H 3X S+ 0 0 98 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.752 96.0 62.7 -47.2 -32.8 -16.4 42.3 103.5 49 50 A I H << S+ 0 0 14 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.903 107.7 43.4 -62.9 -39.0 -15.7 44.6 100.5 50 51 A V H << S+ 0 0 21 -3,-1.7 -2,-0.2 -4,-0.9 5,-0.2 0.964 109.0 55.6 -67.9 -53.3 -19.4 45.4 100.4 51 52 A L H < 0 0 137 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.724 360.0 360.0 -52.1 -22.8 -19.7 45.8 104.2 52 53 A E < 0 0 163 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.030 360.0 360.0-111.0 360.0 -16.9 48.4 103.9 53 ! 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 54 56 A D 0 0 216 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 42.7 -23.1 54.1 99.1 55 57 A M - 0 0 30 -5,-0.2 5,-0.1 1,-0.1 212,-0.0 -0.350 360.0 -91.8 -60.6 131.7 -21.7 51.4 96.9 56 58 A D > - 0 0 36 1,-0.1 4,-2.5 3,-0.1 5,-0.2 -0.102 31.8-128.5 -42.3 136.1 -23.6 51.2 93.6 57 59 A I H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.803 108.5 50.4 -63.5 -29.1 -26.3 48.6 94.0 58 60 A R H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 108.3 51.4 -75.4 -39.5 -25.2 46.7 90.8 59 61 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.972 112.0 48.7 -57.7 -52.4 -21.6 46.6 92.1 60 62 A E H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.889 108.9 53.2 -52.4 -46.6 -23.0 45.1 95.3 61 63 A A H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.934 109.4 47.6 -58.4 -46.7 -25.1 42.6 93.4 62 64 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.878 111.2 51.0 -63.8 -36.4 -22.1 41.4 91.4 63 65 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.924 110.2 48.7 -67.5 -41.9 -20.0 41.0 94.6 64 66 A F H X S+ 0 0 44 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 111.4 52.2 -63.5 -34.7 -22.7 39.0 96.3 65 67 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.0 46.8 -65.6 -47.1 -22.9 36.9 93.2 66 68 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 113.7 48.8 -60.8 -44.3 -19.1 36.3 93.2 67 69 A S H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.908 108.7 54.7 -62.1 -40.4 -19.3 35.5 96.9 68 70 A R H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.894 107.4 49.2 -61.3 -40.6 -22.3 33.2 96.2 69 71 A R H X S+ 0 0 17 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.903 108.3 52.8 -67.9 -38.5 -20.2 31.2 93.7 70 72 A E H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.946 111.6 46.5 -59.5 -47.8 -17.3 30.8 96.0 71 73 A H H X>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-1.3 0.852 115.0 48.7 -61.9 -35.8 -19.6 29.4 98.7 72 74 A L H <>S+ 0 0 1 -4,-1.9 5,-2.9 -5,-0.2 -2,-0.2 0.947 118.3 36.9 -70.8 -49.8 -21.2 27.1 96.0 73 75 A V H <5S+ 0 0 37 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.848 125.3 37.5 -74.2 -34.4 -17.9 25.8 94.6 74 76 A L H <5S+ 0 0 93 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.625 134.4 10.3 -96.4 -12.4 -15.9 25.5 97.8 75 77 A K T X5S+ 0 0 64 -4,-1.3 4,-1.2 -5,-0.3 -3,-0.2 0.661 123.9 43.9-129.3 -54.3 -18.5 24.4 100.3 76 78 A V H > S+ 0 0 53 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.871 113.8 48.9 -53.9 -30.8 -18.0 19.3 97.8 79 81 A A H ><>S+ 0 0 7 -4,-1.2 5,-1.9 2,-0.2 3,-0.6 0.937 109.0 49.7 -72.6 -46.4 -20.8 18.6 100.3 80 82 A L H ><5S+ 0 0 24 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.821 109.2 54.2 -60.9 -29.8 -23.3 17.4 97.7 81 83 A K H 3<5S+ 0 0 174 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.759 100.3 59.1 -74.7 -26.2 -20.5 15.2 96.3 82 84 A E T <<5S- 0 0 129 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.488 121.9-112.4 -78.0 -3.5 -20.1 13.7 99.8 83 85 A G T < 5 + 0 0 42 -3,-0.8 -53,-0.2 -4,-0.3 -3,-0.2 0.628 68.3 146.5 81.9 15.9 -23.7 12.7 99.5 84 86 A K < - 0 0 46 -5,-1.9 -82,-1.6 -83,-0.1 2,-0.5 -0.319 53.9-115.7 -83.6 164.0 -24.9 15.1 102.2 85 87 A V E -ac 2 31A 10 -55,-2.7 -53,-2.1 -84,-0.2 2,-0.6 -0.882 31.8-153.1 -96.6 127.2 -28.1 17.1 102.6 86 88 A V E -ac 3 32A 1 -84,-3.7 -82,-3.5 -2,-0.5 2,-0.7 -0.916 9.3-164.4-111.3 117.9 -27.3 20.8 102.4 87 89 A L E -ac 4 33A 0 -55,-2.7 -53,-3.2 -2,-0.6 2,-0.5 -0.878 15.4-169.9 -98.0 113.4 -29.6 23.3 104.2 88 90 A C E -ac 5 34A 0 -84,-3.4 -82,-2.3 -2,-0.7 2,-1.0 -0.922 19.6-140.9-113.5 123.7 -28.8 26.7 102.8 89 91 A D E S-a 6 0A 18 -55,-2.7 -53,-0.4 -2,-0.5 -82,-0.1 -0.725 77.6 -13.6 -82.8 104.2 -30.2 29.9 104.3 90 92 A R S S+ 0 0 46 -84,-2.2 -54,-0.4 -2,-1.0 2,-0.2 0.514 70.9 167.8 75.7 139.0 -31.0 32.1 101.3 91 93 A Y >> - 0 0 0 -85,-0.1 3,-1.2 -56,-0.1 4,-1.2 -0.629 58.7 -29.6-152.5-149.1 -29.8 31.6 97.7 92 94 A I H 3> S+ 0 0 5 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.834 127.2 60.8 -49.2 -39.6 -30.6 32.9 94.2 93 95 A D H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.853 98.8 56.0 -59.7 -37.0 -34.2 33.7 95.0 94 96 A S H <> S+ 0 0 8 -3,-1.2 4,-3.1 1,-0.2 5,-0.3 0.945 107.4 48.9 -59.9 -49.1 -33.2 36.2 97.7 95 97 A S H X>S+ 0 0 10 -4,-1.2 5,-2.0 1,-0.2 4,-1.4 0.882 111.0 51.4 -57.5 -40.7 -31.1 38.1 95.3 96 98 A L H <>S+ 0 0 6 -4,-1.9 5,-2.5 3,-0.2 -2,-0.2 0.959 116.1 39.1 -61.4 -52.3 -34.1 38.1 92.8 97 99 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 3,-0.2 -2,-0.2 0.846 127.4 33.4 -69.3 -36.9 -36.6 39.4 95.4 98 100 A Y H <>S+ 0 0 26 -4,-3.1 5,-1.9 -5,-0.2 -3,-0.2 0.957 132.5 23.0 -84.3 -60.6 -34.2 41.9 97.1 99 101 A Q T <5S+ 0 0 26 -4,-1.4 6,-1.9 -5,-0.3 7,-0.4 0.931 131.2 39.1 -73.4 -48.4 -31.9 43.2 94.3 100 102 A G T - 0 0 9 -6,-2.4 4,-2.3 -7,-0.4 5,-0.3 0.291 7.3-119.4 115.5 117.4 -34.9 44.2 87.5 107 109 A V H > S+ 0 0 31 -7,-0.3 4,-2.2 1,-0.2 5,-0.2 0.844 114.1 64.7 -48.6 -33.9 -35.6 40.5 88.2 108 110 A E H > S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.959 107.1 32.5 -50.3 -71.7 -34.6 40.2 84.6 109 111 A E H > S+ 0 0 49 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.880 117.2 56.1 -59.3 -44.8 -30.9 41.2 84.9 110 112 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 105.5 52.7 -60.2 -37.2 -30.4 39.8 88.4 111 113 A R H X S+ 0 0 103 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.927 108.9 48.7 -65.4 -41.3 -31.6 36.4 87.2 112 114 A A H X S+ 0 0 43 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.894 111.5 51.3 -63.1 -38.9 -29.0 36.4 84.4 113 115 A L H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 3,-0.3 0.960 112.2 44.9 -61.7 -52.5 -26.4 37.4 86.9 114 116 A N H X S+ 0 0 6 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.866 108.5 55.7 -62.7 -36.6 -27.2 34.6 89.2 115 117 A E H X S+ 0 0 82 -4,-2.5 4,-1.6 1,-0.2 5,-0.5 0.863 107.3 51.7 -63.7 -33.4 -27.4 32.1 86.5 116 118 A F H < S+ 0 0 6 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.894 113.2 46.0 -67.3 -38.5 -23.9 33.1 85.6 117 119 A A H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.7 37.5 -73.1 -39.7 -23.0 32.6 89.3 118 120 A I H >< S- 0 0 3 -4,-3.1 3,-1.7 -5,-0.1 -1,-0.2 0.654 88.1-148.7 -89.7 -16.1 -24.6 29.2 89.8 119 121 A N T 3< S- 0 0 83 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.932 74.8 -41.2 48.2 56.8 -23.9 27.7 86.4 120 122 A G T 3 S+ 0 0 59 -5,-0.5 2,-1.4 1,-0.2 -1,-0.3 0.420 103.0 130.1 76.0 -1.3 -27.0 25.6 86.3 121 123 A L < + 0 0 46 -3,-1.7 -1,-0.2 -6,-0.2 3,-0.1 -0.614 31.9 170.4 -89.6 82.7 -26.9 24.4 90.0 122 124 A Y - 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0 0 31 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.428 26.3-116.0 -75.8 155.3 -1.6 38.8 63.4 330 135 B A H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.839 115.5 50.3 -58.5 -35.1 -0.8 35.9 65.7 331 136 B E H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 113.6 42.0 -72.6 -42.8 2.7 35.7 64.3 332 137 B V H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 114.9 52.0 -70.9 -39.2 3.6 39.4 64.7 333 138 B G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.930 107.8 51.7 -61.6 -46.2 2.0 39.5 68.1 334 139 B R H X S+ 0 0 77 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.938 110.9 48.9 -54.3 -50.4 4.0 36.5 69.2 335 140 B E H X S+ 0 0 95 -4,-1.9 4,-3.5 2,-0.2 -1,-0.2 0.860 109.0 50.8 -60.2 -41.1 7.2 38.2 68.1 336 141 B R H X S+ 0 0 17 -4,-2.3 4,-1.7 -129,-0.2 -1,-0.2 0.951 111.2 49.4 -62.4 -48.0 6.4 41.5 69.8 337 142 B I H >< S+ 0 0 32 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.953 115.4 43.0 -53.4 -53.2 5.8 39.6 73.0 338 143 B I H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.924 110.9 55.8 -59.3 -44.2 9.0 37.7 72.6 339 144 B K H 3< 0 0 130 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.766 360.0 360.0 -58.6 -26.0 10.7 41.0 71.6 340 145 B N << 0 0 151 -4,-1.7 -3,-0.2 -3,-0.7 -2,-0.1 0.463 360.0 360.0-118.6 360.0 9.4 42.4 74.9 341 ! 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 0.0 342 151 B R 0 0 281 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.3 10.5 31.3 72.9 343 152 B L - 0 0 60 1,-0.1 -9,-0.0 2,-0.0 -5,-0.0 -0.702 360.0-106.3-100.8 151.3 6.9 31.0 74.0 344 153 B D > - 0 0 92 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.239 26.7-118.6 -69.0 161.7 5.1 27.9 75.4 345 154 B Q H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 111.9 50.0 -71.2 -42.1 2.6 26.0 73.2 346 155 B E H > S+ 0 0 157 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.951 111.6 49.9 -60.4 -48.1 -0.4 26.5 75.5 347 156 B D H > S+ 0 0 99 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.946 110.2 50.1 -53.7 -53.8 0.4 30.3 75.6 348 157 B L H X S+ 0 0 44 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.886 113.1 46.3 -54.5 -42.9 0.6 30.5 71.8 349 158 B K H X S+ 0 0 115 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.847 112.5 49.6 -71.1 -32.6 -2.7 28.7 71.4 350 159 B F H X S+ 0 0 71 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.926 109.1 52.5 -69.3 -43.5 -4.4 30.8 74.0 351 160 B H H X S+ 0 0 14 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.948 110.0 50.3 -53.3 -49.1 -3.0 33.9 72.3 352 161 B E H X S+ 0 0 82 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.904 107.9 50.8 -56.4 -47.6 -4.5 32.5 69.1 353 162 B K H X S+ 0 0 99 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 108.2 54.5 -59.5 -38.8 -7.9 32.0 70.8 354 163 B V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.955 110.2 44.9 -59.5 -50.8 -7.8 35.6 72.0 355 164 B I H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 112.9 51.4 -60.8 -41.2 -7.3 36.9 68.5 356 165 B E H X S+ 0 0 125 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.828 109.2 51.7 -65.7 -32.8 -10.0 34.6 67.1 357 166 B G H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.935 109.3 48.2 -69.5 -45.2 -12.3 35.9 69.8 358 167 B Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.910 107.3 58.3 -60.4 -40.9 -11.7 39.5 68.9 359 168 B Q H < S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 108.9 43.4 -54.4 -46.9 -12.2 38.6 65.2 360 169 B E H < S+ 0 0 139 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.796 109.8 56.8 -71.7 -28.4 -15.7 37.4 65.9 361 170 B I H < 0 0 29 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.815 360.0 360.0 -71.1 -31.1 -16.5 40.3 68.2 362 171 B I < 0 0 85 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.890 360.0 360.0 -93.7 360.0 -15.7 42.7 65.4 363 ! 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 0.0 364 177 B R 0 0 99 0, 0.0 -41,-3.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -8.4 -18.4 51.5 67.0 365 178 B F E +h 323 0B 46 -43,-0.2 2,-0.4 -3,-0.1 -41,-0.2 -0.536 360.0 179.2 -82.7 139.6 -15.3 49.5 65.9 366 179 B K E -h 324 0B 87 -43,-2.2 -41,-2.2 -2,-0.2 2,-0.2 -0.948 20.9-149.4-135.5 108.7 -12.5 50.9 63.8 367 180 B S E -h 325 0B 63 -2,-0.4 2,-0.4 -43,-0.2 -41,-0.2 -0.531 8.2-160.9 -81.4 149.6 -9.8 48.4 63.2 368 181 B V E -h 326 0B 6 -43,-2.7 -41,-1.9 -2,-0.2 2,-1.1 -0.999 27.7-112.8-134.1 129.9 -6.2 49.4 62.8 369 182 B N E > -h 327 0B 76 -2,-0.4 3,-1.0 1,-0.2 -41,-0.2 -0.464 33.4-178.9 -65.5 97.5 -3.5 47.3 61.2 370 183 B A T 3 + 0 0 0 -43,-2.6 -42,-0.2 -2,-1.1 -1,-0.2 0.330 67.4 80.8 -82.2 6.1 -1.2 46.5 64.1 371 184 B D T 3 S+ 0 0 65 -44,-0.5 -1,-0.2 -43,-0.1 3,-0.1 0.662 77.4 91.1 -82.9 -16.1 1.2 44.4 62.0 372 185 B Q S < S- 0 0 41 -3,-1.0 2,-0.1 1,-0.2 5,-0.1 -0.092 101.1 -73.0 -69.5 173.6 2.8 47.7 60.9 373 186 B P >> - 0 0 82 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.475 50.5-112.2 -66.9 143.9 5.7 49.3 62.7 374 187 B L H 3> S+ 0 0 43 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.857 117.2 62.9 -44.6 -44.0 4.4 50.8 66.0 375 188 B E H 3> S+ 0 0 151 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.897 107.0 43.6 -48.6 -46.1 5.1 54.3 64.7 376 189 B N H <> S+ 0 0 62 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.815 108.9 57.2 -71.5 -31.7 2.6 53.7 61.9 377 190 B V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 107.8 48.2 -66.8 -38.3 0.1 52.1 64.3 378 191 B V H X S+ 0 0 4 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.943 111.1 49.6 -66.5 -47.7 0.1 55.2 66.4 379 192 B E H X S+ 0 0 67 -4,-1.8 4,-3.4 -5,-0.2 5,-0.3 0.958 113.6 44.8 -56.1 -55.9 -0.4 57.5 63.4 380 193 B D H X S+ 0 0 61 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.931 115.0 49.1 -54.2 -49.1 -3.3 55.5 62.0 381 194 B T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.922 113.4 46.7 -58.2 -44.7 -4.9 55.3 65.5 382 195 B Y H X S+ 0 0 27 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.950 113.5 47.0 -63.9 -48.8 -4.5 59.0 66.0 383 196 B Q H X S+ 0 0 88 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.845 110.2 56.0 -61.7 -32.0 -5.9 59.9 62.6 384 197 B T H X S+ 0 0 31 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.929 112.1 40.7 -66.0 -44.8 -8.7 57.5 63.3 385 198 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.940 112.1 54.2 -68.9 -47.8 -9.7 59.2 66.5 386 199 B I H X S+ 0 0 29 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.905 106.4 54.3 -51.6 -45.3 -9.2 62.8 65.2 387 200 B K H >< S+ 0 0 112 -4,-1.9 3,-0.6 -5,-0.2 4,-0.4 0.943 110.6 45.7 -54.5 -50.5 -11.6 61.9 62.4 388 201 B Y H >< S+ 0 0 89 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.880 110.9 51.9 -61.6 -42.1 -14.2 60.8 64.9 389 202 B L H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.690 112.0 46.7 -71.3 -18.7 -13.8 63.8 67.1 390 203 B E T << 0 0 133 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.383 360.0 360.0-104.9 4.5 -14.2 66.3 64.3 391 204 B K < 0 0 174 -3,-0.9 -3,-0.0 -4,-0.4 -4,-0.0 -0.401 360.0 360.0 -84.4 360.0 -17.3 64.8 62.6