==== 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 BLOOD COAGULATION,OXIDOREDUCTASE 16-NOV-09 3KP9 . COMPND 2 MOLECULE: VKORC1/THIOREDOXIN DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; . AUTHOR W.LI,S.SCHULMAN,R.J.DUTTON,D.BOYD,J.BECKWITH,T.A.RAPOPORT . 259 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.6 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 . 2 0.8 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 2 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 16 A Q 0 0 203 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.0 16.5 55.7 8.7 2 17 A R - 0 0 204 1,-0.0 2,-0.7 0, 0.0 0, 0.0 0.328 360.0 -8.7-124.9-107.2 15.4 53.5 11.7 3 18 A H S S+ 0 0 135 2,-0.0 2,-0.3 129,-0.0 129,-0.1 -0.842 78.0 140.0-110.8 97.5 17.4 50.9 13.8 4 19 A S - 0 0 58 -2,-0.7 3,-0.4 1,-0.1 4,-0.3 -0.981 38.8-169.4-145.7 118.8 20.9 50.4 12.2 5 20 A R S > S+ 0 0 88 -2,-0.3 4,-1.7 1,-0.2 3,-0.1 0.459 86.7 76.9 -84.3 -5.9 24.5 50.1 13.7 6 21 A L H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.808 82.7 66.0 -70.2 -33.4 25.9 50.4 10.2 7 22 A I H > S+ 0 0 66 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.837 102.1 48.4 -58.1 -35.1 25.2 54.1 10.6 8 23 A L H > S+ 0 0 4 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.992 107.7 54.3 -59.1 -63.4 27.9 54.0 13.3 9 24 A A H X S+ 0 0 12 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.823 110.2 47.3 -39.5 -49.8 30.3 52.0 11.0 10 25 A I H >X S+ 0 0 92 -4,-2.7 4,-1.7 2,-0.2 3,-0.5 0.938 112.2 47.1 -59.4 -54.1 30.0 54.8 8.3 11 26 A L H 3X S+ 0 0 39 -4,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.755 109.5 56.3 -61.0 -26.1 30.5 57.7 10.7 12 27 A A H 3X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.3 0.818 103.9 54.4 -73.1 -33.9 33.5 55.7 12.1 13 28 A G H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 3,-0.6 0.998 111.6 40.2 -58.3 -68.7 49.8 66.1 8.5 26 41 A K H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.818 116.0 54.1 -56.3 -31.3 51.5 66.6 11.9 27 42 A L H 3< S+ 0 0 121 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.908 113.4 39.9 -70.9 -37.2 53.7 63.7 11.2 28 43 A T H << S+ 0 0 82 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.627 86.9 131.7 -88.7 -13.4 55.0 65.2 7.8 29 44 A E < - 0 0 85 -4,-2.0 -3,-0.0 1,-0.1 -4,-0.0 0.065 57.6-134.4 -31.2 136.4 55.2 68.8 9.1 30 45 A Q - 0 0 190 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.880 37.1-125.7 -99.2 100.0 58.5 70.8 8.4 31 46 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.139 32.8-175.2 -53.9 156.0 59.1 72.3 11.9 32 47 A A - 0 0 48 1,-0.1 214,-0.1 3,-0.0 3,-0.0 -0.988 32.3-158.2-152.8 158.5 59.5 76.0 12.5 33 48 A A S S+ 0 0 33 -2,-0.3 213,-0.2 212,-0.1 -1,-0.1 0.835 84.0 53.2-100.4 -60.4 60.3 78.7 15.1 34 49 A F - 0 0 100 211,-0.4 199,-0.0 212,-0.1 153,-0.0 -0.225 61.7-163.0 -59.6 161.1 58.9 81.8 13.5 35 50 A a - 0 0 23 157,-0.0 -1,-0.1 156,-0.0 198,-0.1 -0.248 21.3-171.1-140.5 59.1 55.3 81.8 12.4 36 51 A T 0 0 84 1,-0.1 197,-0.2 155,-0.0 196,-0.0 0.125 360.0 360.0 -43.9 154.4 55.2 84.8 10.1 37 52 A G 0 0 88 195,-0.3 182,-0.5 181,-0.0 196,-0.1 0.064 360.0 360.0 169.9 360.0 51.9 86.2 8.7 38 ! 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 39 56 A S 0 0 144 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.2 47.6 74.5 7.2 40 57 A D - 0 0 48 1,-0.1 4,-0.4 5,-0.0 72,-0.1 -0.702 360.0-150.7-116.3 160.1 46.1 75.5 10.6 41 58 A L S > S+ 0 0 58 -2,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.909 98.4 45.9 -95.9 -51.9 47.3 77.0 13.9 42 59 A V G > S+ 0 0 15 1,-0.2 3,-0.9 2,-0.2 6,-0.2 0.770 110.4 61.0 -58.4 -26.4 44.9 75.6 16.5 43 60 A L G 3 S+ 0 0 13 1,-0.3 -1,-0.2 4,-0.1 -2,-0.2 0.806 113.0 33.2 -73.4 -34.1 45.5 72.2 14.7 44 61 A S G < S+ 0 0 33 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.317 97.1 118.0-114.8 47.3 49.2 72.3 15.5 45 62 A S S < S- 0 0 27 -3,-0.9 2,-0.2 1,-0.3 -3,-0.1 0.106 83.4 -73.3 -76.2-161.4 48.9 74.1 18.8 46 63 A R S S+ 0 0 66 1,-0.1 2,-1.1 2,-0.1 -1,-0.3 -0.443 123.2 47.2 -76.2 173.6 49.9 72.5 22.0 47 64 A W S S+ 0 0 35 2,-0.4 -1,-0.1 -2,-0.2 -4,-0.1 -0.176 85.2 92.0 81.1 -43.4 47.5 69.7 22.9 48 65 A A S S+ 0 0 12 -2,-1.1 7,-4.7 -6,-0.2 8,-0.6 0.673 83.3 62.2 -59.4 -14.3 47.6 68.4 19.4 49 66 A E E S-A 54 0A 110 5,-0.3 2,-0.5 6,-0.1 -2,-0.4 -0.964 74.5-178.2-114.7 122.0 50.4 66.2 20.8 50 67 A F E > -A 53 0A 19 3,-2.8 3,-0.5 -2,-0.5 110,-0.1 -0.961 58.8 -26.5-130.0 117.9 49.3 63.8 23.6 51 68 A L T 3 S- 0 0 133 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.576 125.0 -48.3 67.4 9.9 51.3 61.3 25.7 52 69 A G T 3 S+ 0 0 51 1,-0.5 -1,-0.3 0, 0.0 3,-0.1 -0.571 126.7 79.7 123.9 -66.8 53.9 60.9 22.9 53 70 A I E < S-A 50 0A 74 -3,-0.5 -3,-2.8 -2,-0.2 -1,-0.5 -0.288 91.9 -91.3 -70.6 153.4 51.6 60.4 19.9 54 71 A P E > -A 49 0A 19 0, 0.0 4,-1.8 0, 0.0 -5,-0.3 -0.310 32.2-122.6 -49.7 144.8 49.7 63.1 18.0 55 72 A T H > S+ 0 0 21 -7,-4.7 4,-3.3 1,-0.2 5,-0.2 0.874 116.4 62.5 -67.2 -32.7 46.2 63.8 19.3 56 73 A A H > S+ 0 0 9 -8,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.905 102.9 49.8 -48.8 -47.4 45.1 62.9 15.8 57 74 A A H > S+ 0 0 11 2,-0.3 4,-3.0 -3,-0.2 -2,-0.2 0.896 108.6 50.4 -59.6 -46.3 46.6 59.5 16.5 58 75 A V H X S+ 0 0 36 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.914 112.3 48.9 -55.0 -46.4 44.7 59.3 19.9 59 76 A G H X S+ 0 0 19 -4,-3.3 4,-2.9 2,-0.2 -2,-0.3 0.892 110.0 53.2 -52.8 -45.2 41.6 60.2 17.8 60 77 A L H X>S+ 0 0 41 -4,-2.4 4,-2.8 -41,-0.2 5,-0.6 0.970 105.2 51.0 -58.6 -57.1 42.7 57.5 15.4 61 78 A L H X5S+ 0 0 107 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.911 116.7 42.6 -48.9 -50.8 42.9 54.7 18.0 62 79 A G H X5S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.919 113.4 50.2 -59.8 -50.6 39.4 55.6 19.2 63 80 A F H X5S+ 0 0 4 -4,-2.9 4,-1.6 2,-0.2 -47,-0.3 0.890 117.5 37.0 -65.1 -44.6 37.8 56.1 15.8 64 81 A L H X5S+ 0 0 77 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.848 110.3 64.5 -75.7 -29.9 38.9 52.8 14.3 65 82 A G H XX S+ 0 0 36 -4,-3.0 4,-5.1 1,-0.2 3,-1.3 0.937 113.0 45.5 -53.8 -53.3 36.0 47.5 14.5 69 86 A L H 3< S+ 0 0 32 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.3 54.5 -61.6 -37.6 33.3 46.9 17.2 70 87 A A H 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.709 126.2 23.9 -65.7 -17.8 30.6 48.2 14.8 71 88 A V H << S+ 0 0 91 -3,-1.3 -2,-0.2 -4,-1.0 -3,-0.2 0.733 104.6 74.0-119.0 -38.4 31.8 45.6 12.3 72 89 A L < 0 0 126 -4,-5.1 -3,-0.2 -5,-0.2 -2,-0.1 0.874 360.0 360.0 -54.5 -47.1 33.5 42.7 14.1 73 90 A P 0 0 25 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.951 360.0 360.0 -61.8 360.0 30.3 41.1 15.5 74 ! 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 75 93 A L > 0 0 99 0, 0.0 3,-0.8 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -43.0 29.3 37.9 16.6 76 94 A P T 3 + 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.378 360.0 50.6 -67.5 162.8 30.7 35.0 18.5 77 95 A L T 3 S+ 0 0 184 -2,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.314 126.8 26.0 95.2 -42.9 33.9 35.7 20.6 78 96 A V < + 0 0 23 -3,-0.8 4,-0.3 1,-0.1 0, 0.0 -0.670 67.3 143.7-156.4 93.2 32.1 38.7 22.1 79 97 A K S >> S+ 0 0 134 -2,-0.2 3,-0.8 2,-0.1 4,-0.5 0.917 79.5 34.4 -94.0 -68.2 28.3 38.8 22.3 80 98 A R T 34 S+ 0 0 202 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.780 118.7 55.9 -55.0 -31.0 27.3 40.5 25.6 81 99 A W T 3> S+ 0 0 171 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.652 87.4 68.7 -90.9 -19.3 30.3 42.8 25.4 82 100 A R H <> S+ 0 0 76 -3,-0.8 4,-2.3 -4,-0.3 -1,-0.2 0.911 95.1 49.8 -77.1 -43.0 30.1 44.7 22.1 83 101 A W H < S+ 0 0 110 -4,-0.5 -1,-0.2 2,-0.2 4,-0.1 0.795 119.9 38.1 -67.8 -29.4 27.1 47.0 22.3 84 102 A P H >> S+ 0 0 45 0, 0.0 4,-2.9 0, 0.0 3,-0.7 0.838 113.3 54.5 -85.6 -34.0 28.2 48.4 25.7 85 103 A A H 3X S+ 0 0 35 -4,-2.1 4,-1.4 1,-0.3 -2,-0.2 0.870 107.2 54.0 -59.5 -35.3 32.0 48.4 24.8 86 104 A L H 3X S+ 0 0 3 -4,-2.3 4,-0.9 2,-0.2 -1,-0.3 0.695 108.8 48.7 -68.5 -22.2 30.7 50.5 21.9 87 105 A F H <> S+ 0 0 21 -3,-0.7 4,-2.7 2,-0.1 -2,-0.2 0.920 108.0 52.6 -78.4 -49.4 29.1 52.7 24.5 88 106 A G H X S+ 0 0 30 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.757 112.8 43.7 -57.6 -31.3 32.2 53.1 26.7 89 107 A L H X S+ 0 0 59 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.861 114.7 46.8 -84.5 -41.9 34.5 54.2 23.8 90 108 A V H X S+ 0 0 4 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.871 112.9 51.3 -67.2 -39.8 32.0 56.6 22.2 91 109 A S H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.930 110.0 48.9 -60.8 -48.1 31.3 58.1 25.7 92 110 A A H X S+ 0 0 26 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.772 110.2 52.0 -61.8 -32.1 35.0 58.5 26.3 93 111 A M H X S+ 0 0 22 -4,-1.5 4,-3.4 2,-0.2 -2,-0.2 0.904 107.0 53.2 -68.9 -43.9 35.3 60.2 22.8 94 112 A T H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.895 106.6 52.5 -57.2 -42.9 32.5 62.5 23.8 95 113 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.942 114.0 42.7 -55.9 -48.9 34.4 63.5 27.0 96 114 A F H X S+ 0 0 30 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.900 110.4 55.7 -65.6 -44.3 37.5 64.3 24.8 97 115 A E H X S+ 0 0 33 -4,-3.4 4,-3.5 1,-0.2 5,-0.2 0.887 106.7 53.0 -50.5 -45.6 35.3 66.1 22.1 98 116 A M H X S+ 0 0 73 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 109.3 45.9 -65.8 -43.6 34.0 68.4 24.9 99 117 A Y H X S+ 0 0 39 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.943 114.9 47.3 -64.4 -47.6 37.4 69.4 26.2 100 118 A M H X S+ 0 0 43 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.966 114.6 47.2 -54.3 -55.3 38.7 70.0 22.6 101 119 A L H X S+ 0 0 70 -4,-3.5 4,-2.5 1,-0.2 5,-0.3 0.873 111.6 52.6 -51.7 -42.7 35.5 72.0 21.9 102 120 A Y H X S+ 0 0 125 -4,-2.6 4,-4.0 2,-0.2 5,-0.5 0.979 112.3 43.0 -57.1 -58.3 36.1 73.8 25.2 103 121 A L H X>S+ 0 0 5 -4,-3.2 5,-2.7 1,-0.2 6,-1.1 0.954 112.5 54.4 -52.0 -56.9 39.6 74.8 24.3 104 122 A M H <5S+ 0 0 11 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.859 122.5 27.2 -44.0 -51.4 38.6 75.7 20.8 105 123 A V H <5S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.923 132.9 29.0 -80.0 -48.3 35.9 78.1 22.0 106 124 A A H <5S+ 0 0 37 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.1 0.959 129.1 18.0 -85.4 -58.4 37.2 79.2 25.4 107 125 A V T <5S+ 0 0 81 -4,-0.6 -3,-0.2 -5,-0.5 -4,-0.1 0.833 134.4 31.4 -93.4 -37.1 41.0 79.2 25.7 108 126 A L S - 0 0 0 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.976 11.2-159.1-125.8 114.3 39.3 74.9 13.3 113 131 A M H > S+ 0 0 109 -2,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.718 95.3 49.8 -76.3 -20.8 37.1 73.3 10.7 114 132 A Y H > S+ 0 0 77 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.850 112.8 49.9 -72.5 -35.1 38.8 70.0 10.9 115 133 A b H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.883 110.6 47.4 -71.9 -39.1 38.4 70.1 14.6 116 134 A T H X S+ 0 0 34 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.908 110.1 54.4 -67.3 -42.0 34.7 71.0 14.5 117 135 A T H X S+ 0 0 55 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.952 106.6 50.3 -54.2 -56.2 34.1 68.2 11.9 118 136 A A H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.907 113.4 46.4 -49.6 -49.2 35.7 65.6 14.2 119 137 A I H X S+ 0 0 18 -4,-1.7 4,-4.3 2,-0.2 -2,-0.2 0.962 111.5 49.9 -60.4 -55.5 33.5 66.8 17.1 120 138 A I H X S+ 0 0 110 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.873 110.7 52.3 -50.4 -43.1 30.3 66.8 15.0 121 139 A L H X S+ 0 0 18 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.959 114.7 40.0 -55.3 -55.7 31.2 63.3 13.9 122 140 A V H X S+ 0 0 8 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 109.6 60.0 -59.7 -47.7 31.6 62.1 17.5 123 141 A A H X S+ 0 0 44 -4,-4.3 4,-1.9 1,-0.2 3,-0.4 0.916 112.0 41.0 -41.5 -50.5 28.5 64.2 18.4 124 142 A G H X S+ 0 0 18 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.864 105.2 64.4 -67.1 -40.9 26.7 61.9 15.9 125 143 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.774 109.9 41.1 -53.4 -31.6 28.6 58.8 17.1 126 144 A G H X S+ 0 0 13 -4,-2.0 4,-3.4 -3,-0.4 5,-0.3 0.955 108.3 56.6 -75.5 -61.2 26.8 59.3 20.4 127 145 A L H X S+ 0 0 115 -4,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.763 114.6 40.7 -46.0 -37.0 23.3 60.3 19.1 128 146 A V H < S+ 0 0 42 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.943 115.4 50.1 -75.0 -51.1 23.1 57.0 17.1 129 147 A T H < S+ 0 0 9 -4,-1.1 -2,-0.2 -5,-0.3 3,-0.2 0.788 108.4 54.8 -56.0 -33.1 24.7 54.9 19.9 130 148 A V H < S+ 0 0 65 -4,-3.4 2,-1.9 1,-0.2 -1,-0.2 0.940 97.4 71.0 -62.1 -46.8 22.2 56.4 22.4 131 149 A L S < S+ 0 0 118 -4,-1.1 2,-0.2 -5,-0.3 -1,-0.2 -0.505 70.7 101.9 -85.9 71.9 19.4 55.3 20.1 132 150 A G S S- 0 0 16 -2,-1.9 -3,-0.0 -3,-0.2 -129,-0.0 -0.743 96.0 -83.2-124.0-177.2 19.3 51.5 20.5 133 151 A H >> - 0 0 134 -2,-0.2 4,-0.8 3,-0.1 3,-0.8 0.782 64.2-176.0 -66.7 -27.4 16.8 49.6 22.7 134 152 A R H >> - 0 0 14 1,-0.2 3,-2.5 2,-0.2 4,-0.6 0.764 60.0 -45.1 44.5 72.4 19.1 50.4 25.6 135 153 A W H 34 S- 0 0 146 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.718 102.3 -64.6 45.4 43.0 17.8 48.6 28.8 136 154 A L H <4 S- 0 0 145 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.839 106.2 -53.8 44.3 40.5 14.1 49.7 28.2 137 155 A D H << S- 0 0 118 -3,-2.5 -2,-0.2 -4,-0.8 -1,-0.2 0.994 81.7-166.9 48.9 78.0 15.8 53.1 28.7 138 156 A G >< - 0 0 25 -4,-0.6 3,-0.6 1,-0.1 4,-0.4 -0.486 29.3-134.5 -77.2 153.5 17.6 52.6 32.1 139 157 A G T 3> S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.353 93.3 93.1 -84.3 2.4 19.0 55.6 33.9 140 158 A K H 3> S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.714 82.7 55.4 -64.6 -25.3 22.1 53.3 34.4 141 159 A L H <> S+ 0 0 22 -3,-0.6 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-41.2 66.4 79.8 27.9 251 269 A E H > S+ 0 0 125 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.925 109.4 37.9 -41.3 -58.1 69.9 78.4 27.4 252 270 A A H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.725 112.0 56.5 -81.2 -23.5 70.4 80.5 24.2 253 271 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 6,-0.3 0.814 104.9 53.4 -74.4 -31.7 68.7 83.6 25.4 254 272 A A H < S+ 0 0 1 -4,-2.0 5,-0.4 2,-0.2 4,-0.2 0.809 109.7 49.2 -68.6 -33.2 71.0 83.7 28.4 255 273 A V H >< S+ 0 0 115 -4,-1.0 3,-1.2 -5,-0.2 -2,-0.2 0.973 114.5 43.9 -62.8 -56.6 73.9 83.6 25.9 256 274 A A H 3< S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.570 117.5 46.2 -66.0 -13.7 72.5 86.4 23.8 257 275 A S T 3< S- 0 0 5 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.225 110.3-110.7-120.7 9.2 71.6 88.5 26.8 258 276 A G < + 0 0 59 -3,-1.2 -3,-0.1 1,-0.2 -4,-0.1 0.291 67.1 144.2 81.8 -10.3 74.7 88.4 28.9 259 277 A Y - 0 0 68 -5,-0.4 2,-0.5 -6,-0.3 -1,-0.2 -0.464 55.3-119.8 -66.7 127.8 73.2 86.2 31.6 260 278 A P 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.610 360.0 360.0 -73.5 118.4 75.8 83.8 33.0 261 279 A L 0 0 99 -2,-0.5 -10,-0.0 -10,-0.1 0, 0.0 0.172 360.0 360.0 -94.0 360.0 74.5 80.2 32.4