==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-12 4ESH . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.TAN,G.JOACHIMIAK,R.JEDRZEJCZAK,J.SACCHETTINI,A.JOACHIMIAK, . 207 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.1 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 . 13 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.3 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 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 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 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 N 0 0 210 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.6 -39.0 23.4 37.1 2 0 A A - 0 0 76 1,-0.1 87,-0.0 0, 0.0 0, 0.0 -0.191 360.0 -68.8 -74.3 157.5 -35.6 21.8 36.5 3 1 A M - 0 0 146 86,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.057 50.1-158.4 -48.6 142.8 -32.4 23.4 35.2 4 2 A T + 0 0 89 85,-0.1 2,-0.1 -3,-0.1 85,-0.1 -0.984 20.3 161.6-134.1 127.4 -32.3 24.5 31.5 5 3 A G - 0 0 4 -2,-0.4 2,-0.4 86,-0.0 88,-0.2 -0.204 44.0 -93.2-111.4-148.9 -29.4 25.2 29.1 6 4 A L E -a 93 0A 3 86,-2.1 88,-3.1 -2,-0.1 2,-0.8 -0.980 23.6-153.0-140.0 124.4 -29.6 25.3 25.3 7 5 A F E +a 94 0A 0 -2,-0.4 125,-2.4 86,-0.2 126,-1.6 -0.846 21.2 173.7-102.3 104.1 -28.9 22.4 23.0 8 6 A V E -ab 95 133A 0 86,-2.6 88,-2.9 -2,-0.8 2,-0.4 -0.932 9.3-168.2-111.1 132.6 -27.7 23.6 19.6 9 7 A T E -ab 96 134A 0 124,-2.0 126,-2.8 -2,-0.4 2,-0.4 -0.920 8.7-150.0-116.7 147.5 -26.5 21.2 16.9 10 8 A L E -ab 97 135A 1 86,-2.7 88,-2.4 -2,-0.4 2,-0.3 -0.969 16.3-174.1-116.8 133.8 -24.7 22.1 13.7 11 9 A E E + b 0 136A 0 124,-2.9 126,-3.1 -2,-0.4 86,-0.0 -0.947 30.3 73.6-129.8 146.7 -25.1 20.1 10.5 12 10 A G S S- 0 0 1 -2,-0.3 126,-0.1 124,-0.2 -2,-0.1 -0.737 74.5 -51.0 139.0 176.0 -23.4 20.1 7.1 13 11 A P > - 0 0 55 0, 0.0 3,-0.7 0, 0.0 5,-0.4 -0.319 54.9-104.6 -78.8 160.3 -20.2 19.3 5.4 14 12 A E T 3 S+ 0 0 121 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.505 105.4 49.3 -75.2 156.0 -16.7 20.4 6.4 15 13 A G T 3 S+ 0 0 86 -2,-0.2 -1,-0.2 131,-0.0 131,-0.0 0.509 86.1 96.0 88.8 6.4 -15.3 23.2 4.3 16 14 A A S < S- 0 0 10 -3,-0.7 -2,-0.1 -4,-0.0 122,-0.0 0.196 104.7-102.7-112.9 13.2 -18.5 25.1 4.7 17 15 A G S > S+ 0 0 26 3,-0.0 4,-2.1 120,-0.0 5,-0.2 0.653 80.1 133.9 76.6 16.9 -17.4 27.3 7.6 18 16 A K H > S+ 0 0 10 -5,-0.4 4,-1.9 2,-0.2 5,-0.1 0.928 74.0 45.2 -61.5 -45.2 -19.3 25.3 10.2 19 17 A S H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 114.1 45.5 -70.4 -43.8 -16.3 25.2 12.6 20 18 A T H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 114.5 50.9 -68.4 -35.0 -15.3 28.8 12.3 21 19 A N H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.852 108.1 51.5 -69.3 -34.2 -18.9 29.8 12.7 22 20 A R H X S+ 0 0 38 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.912 110.4 48.7 -66.9 -41.3 -19.2 27.6 15.8 23 21 A D H X S+ 0 0 78 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.911 110.8 52.1 -62.3 -42.8 -16.1 29.3 17.3 24 22 A Y H X S+ 0 0 47 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.953 111.6 45.3 -55.5 -52.9 -17.7 32.7 16.4 25 23 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 111.7 53.3 -59.0 -45.1 -20.9 31.7 18.2 26 24 A A H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.916 109.6 46.6 -57.5 -48.2 -19.0 30.4 21.2 27 25 A E H X S+ 0 0 114 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.885 110.6 52.4 -64.5 -39.3 -17.0 33.6 21.7 28 26 A R H X S+ 0 0 50 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.868 114.7 43.6 -62.8 -36.9 -20.1 35.8 21.4 29 27 A L H ><>S+ 0 0 1 -4,-2.0 5,-1.7 -5,-0.2 3,-1.2 0.939 112.1 50.9 -72.8 -49.0 -21.8 33.7 24.1 30 28 A R H ><5S+ 0 0 128 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.798 102.7 60.5 -60.2 -31.2 -18.7 33.4 26.4 31 29 A E H 3<5S+ 0 0 134 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.781 101.4 55.2 -66.8 -26.6 -18.3 37.2 26.3 32 30 A R T <<5S- 0 0 160 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.260 125.4-105.0 -87.9 10.2 -21.8 37.4 27.8 33 31 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.587 73.9 142.2 79.6 11.8 -20.7 35.2 30.7 34 32 A I < - 0 0 25 -5,-1.7 2,-0.4 1,-0.0 -1,-0.3 -0.660 54.2-120.5 -89.0 137.7 -22.5 32.1 29.4 35 33 A E - 0 0 84 -2,-0.3 58,-2.9 56,-0.2 2,-0.4 -0.659 31.8-165.6 -75.5 128.8 -20.9 28.7 29.8 36 34 A V E -c 93 0A 9 -2,-0.4 2,-0.6 56,-0.2 58,-0.2 -0.968 9.8-161.4-121.5 131.5 -20.4 27.0 26.4 37 35 A Q E -c 94 0A 56 56,-2.9 58,-2.6 -2,-0.4 2,-0.4 -0.942 7.9-158.7-112.3 112.7 -19.6 23.4 25.8 38 36 A L E +c 95 0A 44 -2,-0.6 2,-0.3 56,-0.2 58,-0.2 -0.772 27.4 148.4 -91.1 133.1 -18.2 22.5 22.3 39 37 A T E -c 96 0A 12 56,-2.0 58,-3.0 -2,-0.4 2,-0.3 -0.925 26.5-149.3-155.3 175.0 -18.5 18.9 21.3 40 38 A R E -c 97 0A 85 -2,-0.3 58,-0.2 56,-0.3 59,-0.1 -0.989 21.6 -90.3-152.3 157.0 -19.0 16.6 18.3 41 39 A E S S+ 0 0 3 56,-2.4 2,-0.1 -2,-0.3 3,-0.1 -0.940 98.6 27.7-129.6 152.2 -20.5 13.3 17.1 42 40 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.654 130.1 26.0 -71.3 147.0 -19.8 10.6 16.9 43 41 A G + 0 0 0 -2,-0.1 6,-0.1 32,-0.1 5,-0.1 -0.974 44.0 139.8 137.5-156.7 -17.4 11.1 19.8 44 42 A G S S+ 0 0 26 -2,-0.3 -3,-0.1 1,-0.1 3,-0.1 0.190 75.3 52.1 100.9 -19.2 -17.2 13.6 22.7 45 43 A T S > S- 0 0 15 1,-0.1 4,-2.8 38,-0.0 5,-0.2 -0.939 94.4-101.2-141.6 160.2 -16.0 11.2 25.4 46 44 A P H > S+ 0 0 118 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.928 123.4 40.0 -51.3 -51.5 -13.1 8.7 25.6 47 45 A L H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.915 114.0 53.5 -64.0 -41.7 -15.3 5.7 24.8 48 46 A A H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.887 106.6 53.3 -64.2 -34.8 -17.4 7.5 22.2 49 47 A E H X S+ 0 0 63 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.816 106.3 52.5 -67.3 -31.1 -14.2 8.5 20.4 50 48 A R H X S+ 0 0 183 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.880 109.9 48.5 -70.4 -37.0 -13.2 4.8 20.3 51 49 A I H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.919 108.0 55.7 -66.0 -41.7 -16.6 4.0 18.8 52 50 A R H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.937 104.0 54.3 -50.7 -50.8 -16.0 6.9 16.3 53 51 A E H X S+ 0 0 128 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.897 108.2 47.9 -52.9 -46.9 -12.7 5.2 15.3 54 52 A L H < S+ 0 0 110 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.855 112.3 51.2 -61.8 -37.9 -14.5 1.9 14.5 55 53 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 118.3 35.0 -67.8 -35.3 -17.1 3.8 12.5 56 54 A L H < S+ 0 0 31 -4,-2.2 97,-2.8 -5,-0.2 -2,-0.2 0.719 89.3 104.3 -95.6 -23.6 -14.6 5.8 10.4 57 55 A A S < S- 0 0 47 -4,-2.1 95,-0.1 -5,-0.3 2,-0.1 -0.427 72.6-122.5 -69.2 124.5 -11.8 3.3 9.8 58 56 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.395 37.8 175.4 -61.1 141.3 -11.7 1.7 6.4 59 57 A S - 0 0 77 2,-0.1 4,-0.1 -2,-0.1 0, 0.0 -0.988 42.5-130.8-146.2 149.2 -11.9 -2.0 6.4 60 58 A D S S+ 0 0 173 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.632 93.3 84.8 -72.4 -16.3 -12.1 -4.8 3.8 61 59 A E S S- 0 0 152 1,-0.0 2,-0.2 -3,-0.0 -2,-0.1 -0.787 88.0-125.5 -84.4 123.0 -15.0 -6.2 5.8 62 60 A P - 0 0 115 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.487 18.5-131.5 -68.9 134.7 -18.3 -4.4 4.9 63 61 A M - 0 0 48 -2,-0.2 5,-0.0 -4,-0.1 -4,-0.0 -0.776 24.5-119.9 -87.7 122.1 -20.1 -2.9 7.9 64 62 A A > - 0 0 55 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.243 18.6-120.2 -55.9 144.7 -23.8 -3.8 8.0 65 63 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 115.6 51.4 -52.7 -41.9 -26.2 -0.9 7.8 66 64 A D H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 108.3 51.1 -66.8 -38.6 -27.6 -2.0 11.2 67 65 A T H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 110.6 48.9 -60.4 -44.8 -24.2 -2.2 12.8 68 66 A E H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 113.9 46.1 -63.5 -42.9 -23.4 1.3 11.5 69 67 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.901 113.7 47.7 -65.5 -44.3 -26.7 2.7 12.9 70 68 A L H X S+ 0 0 98 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.891 111.7 50.4 -68.4 -40.7 -26.4 0.9 16.3 71 69 A L H X S+ 0 0 42 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.903 108.7 52.7 -60.7 -43.6 -22.7 2.1 16.7 72 70 A M H X S+ 0 0 14 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.930 113.7 42.9 -56.1 -46.8 -23.8 5.7 15.9 73 71 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.785 109.5 57.3 -74.1 -27.3 -26.5 5.5 18.6 74 72 A A H X S+ 0 0 46 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.934 108.9 45.8 -65.3 -45.7 -24.2 3.8 21.1 75 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 113.1 52.3 -62.1 -38.3 -21.7 6.6 20.9 76 74 A R H X S+ 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.884 106.3 51.5 -65.9 -41.5 -24.7 9.0 21.2 77 75 A A H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 113.1 45.5 -60.8 -44.6 -26.0 7.3 24.3 78 76 A Q H X S+ 0 0 85 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.893 114.5 48.6 -63.8 -40.4 -22.6 7.6 26.0 79 77 A H H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-2.0 0.869 109.9 51.2 -72.7 -39.3 -22.2 11.2 24.8 80 78 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 3,-0.2 -1,-0.2 0.934 115.4 41.1 -61.5 -48.3 -25.6 12.3 26.1 81 79 A A H <5S+ 0 0 62 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.843 123.7 38.3 -69.6 -34.2 -25.1 10.8 29.6 82 80 A G H <5S- 0 0 46 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.783 134.9 -0.8 -91.1 -29.7 -21.5 12.0 29.9 83 81 A V T X5S+ 0 0 22 -4,-2.4 4,-2.1 -5,-0.2 -3,-0.2 0.706 121.4 48.5-129.6 -55.8 -21.4 15.4 28.3 84 82 A I H > S+ 0 0 43 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.923 110.5 48.1 -61.6 -41.6 -24.8 17.3 32.2 87 85 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.0 0.917 110.8 50.4 -60.1 -47.6 -23.9 20.5 30.4 88 86 A L H ><5S+ 0 0 22 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.869 106.7 56.2 -58.4 -35.6 -27.6 21.4 29.8 89 87 A A H 3<5S+ 0 0 52 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 102.9 54.9 -72.8 -17.4 -28.2 20.8 33.5 90 88 A R T <<5S- 0 0 129 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.458 121.4-110.4 -89.0 -3.2 -25.6 23.4 34.3 91 89 A G T < 5S+ 0 0 27 -3,-1.4 -3,-0.2 -4,-0.3 -56,-0.2 0.645 70.1 148.8 82.2 17.0 -27.5 25.8 32.2 92 90 A A < - 0 0 0 -5,-2.3 -86,-2.1 -6,-0.2 2,-0.6 -0.358 52.4-116.3 -78.6 158.8 -24.8 25.8 29.6 93 91 A V E -ac 6 36A 0 -58,-2.9 -56,-2.9 -88,-0.2 2,-0.5 -0.880 27.6-152.2 -90.1 124.8 -25.1 26.2 25.8 94 92 A V E -ac 7 37A 0 -88,-3.1 -86,-2.6 -2,-0.6 2,-0.7 -0.875 9.4-168.8 -97.4 126.5 -24.1 23.0 24.0 95 93 A L E -ac 8 38A 0 -58,-2.6 -56,-2.0 -2,-0.5 2,-0.6 -0.887 15.9-174.0-113.7 95.8 -22.7 23.6 20.5 96 94 A C E -ac 9 39A 0 -88,-2.9 -86,-2.7 -2,-0.7 2,-1.1 -0.821 23.2-139.6-102.2 122.0 -22.6 20.0 19.0 97 95 A D E S-ac 10 40A 34 -58,-3.0 -56,-2.4 -2,-0.6 -86,-0.2 -0.669 78.9 -11.0 -80.8 100.4 -21.1 19.3 15.6 98 96 A R S S+ 0 0 48 -88,-2.4 2,-0.2 -2,-1.1 -87,-0.1 0.455 70.2 165.9 81.6 139.4 -23.5 16.7 14.2 99 97 A F >> - 0 0 0 -90,-0.1 3,-1.4 -59,-0.1 4,-0.8 -0.665 59.9 -34.3-156.0-148.2 -26.3 14.9 15.9 100 98 A T H 3> S+ 0 0 3 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.759 124.6 65.9 -66.0 -25.5 -29.3 12.7 15.0 101 99 A D H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.893 98.4 56.5 -57.9 -37.5 -30.1 14.7 11.9 102 100 A A H <>>S+ 0 0 11 -3,-1.4 4,-3.3 2,-0.2 5,-0.6 0.853 104.3 52.7 -61.3 -31.8 -26.8 13.4 10.6 103 101 A T H X>S+ 0 0 1 -4,-0.8 5,-1.6 -3,-0.3 4,-1.2 0.953 110.2 46.2 -69.1 -48.3 -28.1 9.8 11.2 104 102 A Y H <>S+ 0 0 10 -4,-2.2 5,-2.2 3,-0.2 -2,-0.2 0.915 119.5 42.7 -54.5 -44.8 -31.2 10.5 9.2 105 103 A A H <>S+ 0 0 0 -4,-2.5 5,-1.7 3,-0.2 -2,-0.2 0.930 126.5 27.1 -72.0 -50.0 -29.1 12.1 6.4 106 104 A Y H <>S+ 0 0 28 -4,-3.3 5,-2.2 3,-0.2 6,-0.2 0.953 132.9 31.3 -80.0 -57.2 -26.2 9.6 6.2 107 105 A Q T <> - 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0 0 78 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.110 47.8-109.9 -39.0 157.1 -19.8 35.4 1.7 189 190 A L H > S+ 0 0 150 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.913 114.6 41.2 -67.6 -47.5 -18.2 34.8 5.1 190 191 A A H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 108.5 61.9 -68.7 -34.1 -19.2 38.0 6.9 191 192 A E H > S+ 0 0 109 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.818 107.1 45.4 -62.1 -30.4 -22.7 37.8 5.4 192 193 A V H X S+ 0 0 13 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.821 109.9 52.3 -81.6 -34.0 -23.3 34.5 7.2 193 194 A Q H X S+ 0 0 53 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.703 103.7 58.7 -76.9 -18.6 -21.8 35.7 10.5 194 195 A A H X S+ 0 0 34 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.761 102.2 54.3 -75.2 -28.0 -24.2 38.6 10.3 195 196 A G H X S+ 0 0 7 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.891 106.1 52.1 -66.7 -40.1 -26.9 36.0 10.2 196 197 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 1,-0.2 3,-0.3 0.857 106.0 54.4 -63.1 -37.8 -25.4 34.6 13.4 197 198 A D H < S+ 0 0 67 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.935 107.5 48.4 -61.1 -47.5 -25.6 38.0 15.0 198 199 A R H < S+ 0 0 184 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.667 113.1 52.3 -65.1 -16.4 -29.3 38.3 14.2 199 200 A L H >X S+ 0 0 5 -4,-0.7 4,-2.4 -3,-0.3 3,-0.6 0.837 90.8 74.5 -87.7 -38.2 -29.6 34.8 15.8 200 201 A L H 3X S+ 0 0 20 -4,-2.0 4,-3.4 1,-0.3 5,-0.3 0.870 93.9 50.6 -45.6 -54.9 -27.8 35.5 19.0 201 202 A P H 3> S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.899 111.7 49.9 -53.5 -41.4 -30.7 37.5 20.6 202 203 A N H <> S+ 0 0 54 -3,-0.6 4,-2.2 -4,-0.4 -2,-0.2 0.904 111.8 47.6 -62.7 -43.2 -33.0 34.6 19.7 203 204 A L H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.960 110.7 51.3 -59.3 -52.8 -30.5 32.1 21.3 204 205 A L H X S+ 0 0 18 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.881 110.0 50.0 -52.7 -42.4 -30.2 34.2 24.4 205 206 A E H < S+ 0 0 147 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.925 108.8 51.4 -63.0 -45.8 -34.0 34.4 24.7 206 207 A R H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 114.7 46.5 -56.4 -31.8 -34.3 30.6 24.3 207 208 A L H < 0 0 16 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.917 360.0 360.0 -82.9 -47.9 -31.7 30.2 27.1 208 209 A N < 0 0 162 -4,-2.4 -203,-0.0 -5,-0.1 -117,-0.0 -0.606 360.0 360.0 -91.0 360.0 -32.8 32.6 29.9