==== 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 04-DEC-00 1HLW . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR S.J.ADMIRAAL,P.MEYER,B.SCHNEIDER,D.DEVILLE-BONNE,J.JANIN,D.H . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 63.3 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 . 22 14.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V > 0 0 142 0, 0.0 3,-0.9 0, 0.0 80,-0.5 0.000 360.0 360.0 360.0 142.4 -25.7 48.6 8.0 2 7 A N T 3 + 0 0 57 1,-0.2 78,-0.2 78,-0.2 80,-0.0 0.369 360.0 71.7 -75.2 -1.1 -24.4 48.3 11.5 3 8 A K T 3 + 0 0 144 75,-0.1 -1,-0.2 76,-0.1 77,-0.1 0.298 61.1 129.3-103.9 12.4 -26.5 45.1 12.4 4 9 A E < - 0 0 56 -3,-0.9 75,-2.7 75,-0.1 2,-0.3 -0.331 41.4-160.0 -61.1 148.8 -24.6 42.6 10.3 5 10 A R E -A 78 0A 54 73,-0.2 2,-0.3 117,-0.1 73,-0.2 -0.954 10.4-165.8-134.0 148.9 -23.6 39.5 12.3 6 11 A T E -A 77 0A 0 71,-2.2 71,-1.8 -2,-0.3 2,-0.5 -0.946 18.3-127.6-132.3 159.1 -21.0 36.8 11.9 7 12 A F E -A 76 0A 2 -2,-0.3 112,-1.7 69,-0.2 2,-0.4 -0.901 25.7-178.5-107.4 132.3 -20.4 33.4 13.5 8 13 A L E -AB 75 118A 0 67,-2.6 67,-3.0 -2,-0.5 2,-0.4 -0.979 7.3-166.4-129.4 142.1 -17.0 32.5 15.0 9 14 A A E -AB 74 117A 2 108,-2.4 108,-1.8 -2,-0.4 2,-0.8 -0.991 16.0-145.7-131.3 125.1 -16.0 29.2 16.6 10 15 A V E -AB 73 116A 0 63,-3.0 63,-1.9 -2,-0.4 106,-0.3 -0.819 34.2-137.6 -87.9 115.9 -12.8 28.8 18.7 11 16 A K >> - 0 0 17 104,-1.8 4,-2.2 -2,-0.8 3,-0.6 -0.105 24.9 -90.3 -71.2 169.9 -12.0 25.3 17.8 12 17 A P H 3> S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.810 125.4 53.5 -52.3 -33.4 -10.7 22.6 20.2 13 18 A D H 3> S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 6,-0.1 0.882 109.4 49.2 -69.6 -38.6 -7.0 23.5 19.6 14 19 A G H <4>S+ 0 0 0 -3,-0.6 5,-2.2 101,-0.4 6,-0.3 0.882 113.8 45.4 -67.3 -40.2 -7.7 27.1 20.5 15 20 A V H ><5S+ 0 0 28 -4,-2.2 3,-1.7 56,-0.3 5,-0.2 0.939 112.4 51.2 -66.9 -45.5 -9.6 26.3 23.6 16 21 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.9 53.4 -62.1 -30.5 -7.0 23.7 24.7 17 22 A R T 3<5S- 0 0 133 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.387 115.1-113.0 -88.5 6.0 -4.2 26.3 24.2 18 23 A G T < 5S+ 0 0 63 -3,-1.7 4,-0.3 -4,-0.1 -3,-0.2 0.870 76.6 129.2 69.0 37.4 -5.9 28.9 26.4 19 24 A L >< + 0 0 16 -5,-2.2 4,-2.2 1,-0.1 5,-0.2 0.375 34.9 98.1-105.6 4.9 -6.6 31.4 23.6 20 25 A V H > S+ 0 0 34 -6,-0.3 4,-2.7 -5,-0.2 5,-0.2 0.938 87.1 42.4 -59.3 -50.2 -10.3 32.1 24.2 21 26 A G H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 112.2 54.4 -65.1 -41.4 -9.9 35.3 26.2 22 27 A E H > S+ 0 0 73 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.923 111.9 45.4 -58.8 -44.3 -7.2 36.7 23.9 23 28 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.949 112.0 48.8 -67.7 -47.7 -9.5 36.1 20.9 24 29 A I H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.918 108.3 55.9 -59.8 -40.4 -12.6 37.6 22.4 25 30 A A H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.848 100.6 58.2 -61.5 -34.4 -10.6 40.7 23.5 26 31 A R H X S+ 0 0 41 -4,-1.4 4,-1.1 -3,-0.4 -1,-0.2 0.890 110.5 42.6 -62.3 -39.4 -9.4 41.4 19.9 27 32 A Y H X>S+ 0 0 0 -4,-1.4 5,-1.9 -3,-0.3 4,-0.9 0.860 113.8 51.5 -75.5 -34.1 -13.1 41.6 18.7 28 33 A E H ><5S+ 0 0 116 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.902 109.4 49.7 -67.4 -41.4 -14.1 43.7 21.7 29 34 A K H 3<5S+ 0 0 160 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 105.5 58.0 -64.7 -33.1 -11.3 46.2 21.2 30 35 A K H 3<5S- 0 0 116 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.757 120.8-110.5 -66.1 -27.1 -12.2 46.5 17.6 31 36 A G T <<5 + 0 0 11 -4,-0.9 -3,-0.2 -3,-0.6 2,-0.2 0.485 68.9 140.6 107.6 4.9 -15.7 47.6 18.7 32 37 A F < - 0 0 16 -5,-1.9 2,-0.5 47,-0.1 -1,-0.3 -0.548 48.8-124.5 -78.8 150.4 -17.8 44.6 17.6 33 38 A V E -C 78 0A 30 45,-2.4 45,-2.3 -2,-0.2 2,-0.5 -0.838 11.2-125.6-104.4 132.3 -20.6 43.6 20.1 34 39 A L E +C 77 0A 51 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.581 36.0 164.9 -74.8 123.1 -21.0 40.1 21.6 35 40 A V E + 0 0 5 41,-2.9 104,-2.5 -2,-0.5 2,-0.3 0.584 65.4 16.3-116.9 -15.7 -24.5 39.0 20.8 36 41 A G E +C 76 0A 5 40,-1.2 40,-2.1 102,-0.2 -1,-0.4 -0.971 63.9 168.5-158.1 142.7 -24.2 35.2 21.6 37 42 A L E +C 75 0A 85 100,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.913 9.0 139.1-163.1 130.9 -21.6 33.1 23.5 38 43 A K E -C 74 0A 54 36,-1.8 36,-2.6 -2,-0.3 2,-0.4 -0.965 37.1-129.7-168.0 153.0 -21.4 29.6 24.8 39 44 A Q E +C 73 0A 123 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.892 39.2 151.2-105.9 140.1 -19.1 26.7 25.2 40 45 A L E -C 72 0A 43 32,-2.3 32,-3.0 -2,-0.4 30,-0.1 -0.967 48.5-116.9-157.6 164.0 -20.2 23.2 24.1 41 46 A V - 0 0 89 -2,-0.3 27,-0.1 30,-0.2 26,-0.0 -0.965 46.2-124.6-106.6 110.4 -18.8 19.9 22.8 42 47 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 28,-0.1 -0.230 17.2-131.5 -56.4 142.3 -20.4 19.7 19.2 43 48 A T > - 0 0 85 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.530 26.1-108.0 -89.2 162.3 -22.3 16.6 18.4 44 49 A K H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 118.4 54.2 -57.3 -39.8 -21.7 14.7 15.1 45 50 A D H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 109.2 46.5 -62.4 -46.9 -25.0 15.9 13.6 46 51 A L H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 113.8 50.2 -62.4 -44.4 -24.2 19.6 14.3 47 52 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 109.7 48.6 -60.0 -45.2 -20.6 19.1 12.9 48 53 A E H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.4 48.3 -64.9 -35.6 -21.7 17.5 9.7 49 54 A S H >< S+ 0 0 39 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.915 110.1 51.7 -69.0 -43.5 -24.3 20.2 9.1 50 55 A H H 3< S+ 0 0 12 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.927 118.9 36.5 -58.9 -42.4 -21.7 22.9 9.8 51 56 A Y T >< S+ 0 0 23 -4,-2.5 3,-2.4 1,-0.2 4,-0.3 0.162 79.6 125.7 -98.8 21.3 -19.3 21.5 7.3 52 57 A A G X + 0 0 31 -3,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.739 61.9 67.4 -52.7 -30.2 -22.0 20.4 4.9 53 58 A E G 3 S+ 0 0 105 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.744 105.1 44.6 -64.0 -21.3 -20.4 22.3 1.9 54 59 A H G X S+ 0 0 46 -3,-2.4 3,-2.3 1,-0.2 6,-0.4 0.365 77.2 113.5-103.2 6.5 -17.5 19.9 2.1 55 60 A K T < S+ 0 0 120 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.688 75.9 50.7 -57.3 -20.7 -19.4 16.7 2.4 56 61 A E T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.644 95.8 90.9 -91.2 -9.5 -18.4 15.3 -0.9 57 62 A R S X S- 0 0 159 -3,-2.3 3,-1.1 1,-0.1 4,-0.3 -0.466 81.3-124.0 -85.0 153.9 -14.7 15.9 -0.3 58 63 A P T > S+ 0 0 124 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.857 107.7 58.0 -62.3 -38.2 -12.3 13.4 1.3 59 64 A F T 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.517 79.3 92.6 -73.9 -5.3 -11.2 15.8 4.1 60 65 A F H <> S+ 0 0 30 -3,-1.1 4,-2.3 -6,-0.4 5,-0.2 0.928 82.3 54.0 -51.1 -53.2 -14.8 16.2 5.4 61 66 A G H <> S+ 0 0 38 -3,-0.7 4,-2.7 -4,-0.3 -1,-0.2 0.881 107.2 49.8 -51.0 -47.1 -14.4 13.3 7.9 62 67 A G H > S+ 0 0 48 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.878 109.4 51.4 -62.9 -40.2 -11.3 14.8 9.5 63 68 A L H X S+ 0 0 43 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.922 113.4 45.1 -64.1 -40.3 -13.0 18.2 9.9 64 69 A V H X S+ 0 0 12 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.910 113.3 50.0 -68.4 -41.6 -16.0 16.5 11.6 65 70 A S H < S+ 0 0 80 -4,-2.7 3,-0.3 -5,-0.2 4,-0.2 0.936 112.5 46.5 -63.8 -46.9 -13.8 14.3 13.8 66 71 A F H >< S+ 0 0 37 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.935 109.2 51.8 -64.6 -46.9 -11.7 17.1 15.0 67 72 A I H 3< S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.749 111.5 47.7 -66.3 -19.8 -14.4 19.6 15.8 68 73 A T T 3< S+ 0 0 43 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.390 89.5 89.1 -98.0 7.3 -16.2 17.0 17.9 69 74 A S S < S- 0 0 77 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 0.556 101.2 -18.1 -80.7 -6.1 -13.1 16.0 19.8 70 75 A G S S- 0 0 13 -3,-0.4 -57,-0.1 -4,-0.2 -30,-0.1 -0.977 95.0 -35.1-176.5-178.1 -13.4 18.6 22.6 71 76 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -56,-0.3 -0.207 46.2-164.1 -61.1 149.2 -15.0 21.8 23.7 72 77 A V E - C 0 40A 0 -32,-3.0 -32,-2.3 -57,-0.1 2,-0.6 -0.947 15.0-140.3-130.3 143.4 -15.6 24.6 21.3 73 78 A V E -AC 10 39A 9 -63,-1.9 -63,-3.0 -2,-0.4 2,-0.4 -0.946 23.9-166.2-108.7 111.1 -16.4 28.3 22.1 74 79 A A E +AC 9 38A 0 -36,-2.6 -36,-1.8 -2,-0.6 2,-0.3 -0.789 12.9 169.4 -96.5 136.4 -19.1 29.5 19.7 75 80 A M E -AC 8 37A 0 -67,-3.0 -67,-2.6 -2,-0.4 2,-0.4 -0.986 27.4-147.8-149.7 159.4 -19.9 33.2 19.4 76 81 A V E -AC 7 36A 0 -40,-2.1 -41,-2.9 -2,-0.3 -40,-1.2 -0.995 17.0-166.9-127.3 128.3 -21.8 35.7 17.4 77 82 A F E -AC 6 34A 0 -71,-1.8 -71,-2.2 -2,-0.4 2,-0.4 -0.911 5.5-152.6-116.6 145.2 -20.5 39.2 16.9 78 83 A E E +AC 5 33A 13 -45,-2.3 -45,-2.4 -2,-0.4 2,-0.3 -0.936 36.4 95.3-120.5 139.8 -22.4 42.2 15.5 79 84 A G S > S- 0 0 1 -75,-2.7 3,-1.5 -2,-0.4 4,-0.2 -0.897 71.9 -47.7 163.1 169.4 -21.3 45.3 13.7 80 85 A K T 3 S- 0 0 131 1,-0.3 -78,-0.2 -2,-0.3 5,-0.1 -0.411 120.5 -8.9 -64.7 132.0 -20.7 47.0 10.4 81 86 A G T 3> S+ 0 0 30 -80,-0.5 4,-2.6 -2,-0.1 -1,-0.3 0.677 87.2 148.3 54.8 24.5 -18.8 44.8 7.9 82 87 A V H <> + 0 0 0 -3,-1.5 4,-2.9 1,-0.2 5,-0.2 0.824 60.4 60.6 -60.7 -33.1 -18.2 42.3 10.7 83 88 A V H > S+ 0 0 7 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.961 115.6 30.4 -61.1 -52.7 -18.2 39.3 8.4 84 89 A A H > S+ 0 0 69 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.872 119.5 55.3 -73.8 -36.7 -15.3 40.4 6.2 85 90 A S H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 105.3 52.1 -62.2 -43.6 -13.6 42.2 9.0 86 91 A A H X S+ 0 0 1 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.873 108.3 51.9 -63.5 -33.3 -13.5 39.2 11.2 87 92 A R H X S+ 0 0 102 -4,-1.1 4,-2.4 -5,-0.2 -1,-0.2 0.869 108.5 50.6 -67.4 -37.9 -11.9 37.1 8.4 88 93 A L H < S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.2 51.1 -66.1 -37.6 -9.2 39.7 8.0 89 94 A M H < S+ 0 0 36 -4,-2.1 14,-2.6 1,-0.2 -2,-0.2 0.800 111.3 50.5 -70.0 -26.0 -8.5 39.6 11.7 90 95 A I H < S- 0 0 4 -4,-1.4 14,-2.5 12,-0.2 15,-0.4 0.928 101.9-141.5 -78.0 -46.7 -8.3 35.8 11.5 91 96 A G < - 0 0 20 -4,-2.4 -1,-0.2 12,-0.2 2,-0.2 -0.798 34.1 -43.0 115.2-162.1 -5.8 35.6 8.6 92 97 A V - 0 0 80 2,-0.3 6,-0.2 -2,-0.3 5,-0.1 -0.501 62.6 -92.0-102.8 173.7 -5.7 33.1 5.7 93 98 A T S S+ 0 0 88 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.882 113.9 61.4 -51.8 -42.3 -6.2 29.3 5.8 94 99 A N S > S- 0 0 64 1,-0.2 3,-1.4 18,-0.0 4,-0.5 -0.784 73.2-156.2 -90.7 111.9 -2.6 28.5 6.2 95 100 A P G > S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 13,-0.2 0.787 91.4 62.8 -56.1 -30.3 -1.3 30.1 9.5 96 101 A L G 3 S+ 0 0 122 13,-0.3 14,-0.0 1,-0.2 -3,-0.0 0.777 107.5 42.5 -67.8 -25.7 2.2 30.1 8.2 97 102 A A G < S+ 0 0 72 -3,-1.4 2,-0.2 -5,-0.1 -1,-0.2 0.428 91.4 106.6 -99.6 -0.3 1.2 32.5 5.5 98 103 A S S < S- 0 0 11 -3,-0.7 3,-0.1 -4,-0.5 -7,-0.1 -0.575 77.8-105.4 -79.7 141.5 -1.0 34.7 7.7 99 104 A A > - 0 0 64 -2,-0.2 3,-2.2 1,-0.1 6,-0.3 -0.292 33.7-100.0 -71.9 146.6 0.5 38.1 8.6 100 105 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.411 113.7 45.4 -57.2 143.1 1.8 38.9 12.1 101 106 A G T 3 S+ 0 0 54 1,-0.6 2,-0.2 2,-0.1 -2,-0.1 -0.025 93.0 97.0 107.4 -29.6 -1.0 40.8 13.8 102 107 A S S <> S- 0 0 9 -3,-2.2 4,-2.3 1,-0.1 -1,-0.6 -0.532 86.1-113.6 -88.9 160.8 -3.7 38.4 12.7 103 108 A I H > S+ 0 0 0 -14,-2.6 4,-2.2 1,-0.2 5,-0.3 0.965 117.2 38.8 -62.0 -53.0 -4.9 35.6 15.0 104 109 A R H > S+ 0 0 20 -14,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.870 114.9 54.7 -65.8 -34.3 -3.6 32.7 12.9 105 110 A G H 4 S+ 0 0 24 -15,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.868 115.3 39.3 -64.3 -36.7 -0.4 34.7 12.0 106 111 A D H < S+ 0 0 68 -4,-2.3 -2,-0.2 -7,-0.2 -1,-0.2 0.808 132.2 19.1 -83.1 -28.6 0.4 35.3 15.7 107 112 A F H < S+ 0 0 54 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.547 103.5 76.5-123.7 -11.1 -0.6 31.8 17.1 108 113 A G < + 0 0 8 -4,-2.1 6,-0.1 -5,-0.3 -10,-0.1 -0.738 27.5 167.9-117.3 160.3 -0.8 29.1 14.5 109 114 A V + 0 0 103 4,-0.5 2,-0.4 -2,-0.3 -13,-0.3 0.576 64.9 57.6-133.5 -21.4 1.5 26.9 12.5 110 115 A D B > -D 113 0B 101 3,-0.6 3,-1.6 1,-0.1 -1,-0.2 -0.932 65.8-136.0-124.6 139.0 -0.7 24.1 10.8 111 116 A V T > S+ 0 0 69 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.884 108.3 51.2 -54.9 -40.4 -3.7 24.2 8.5 112 117 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.544 114.1 43.4 -78.5 -2.9 -5.4 21.5 10.5 113 118 A R B < S+D 110 0B 120 -3,-1.6 -3,-0.6 1,-0.1 -4,-0.5 -0.603 70.6 143.1-137.3 67.9 -4.9 23.3 13.8 114 119 A N < - 0 0 11 -3,-0.5 2,-2.7 -2,-0.1 -6,-0.1 0.034 52.0-134.8-106.1 26.5 -5.8 26.8 12.8 115 120 A I + 0 0 0 -8,-0.1 -104,-1.8 -105,-0.1 -101,-0.4 -0.187 68.7 23.5 69.6 -50.6 -7.5 27.8 16.0 116 121 A I E -B 10 0A 0 -2,-2.7 2,-0.3 -106,-0.3 -106,-0.2 -0.977 55.2-158.7-149.1 155.2 -10.6 29.6 14.9 117 122 A A E -B 9 0A 24 -108,-1.8 -108,-2.4 -2,-0.3 2,-0.3 -0.998 9.2-168.0-140.4 143.1 -13.0 29.8 12.0 118 123 A G E -B 8 0A 14 -2,-0.3 -110,-0.2 -110,-0.2 -35,-0.0 -0.884 37.9 -80.1-126.6 162.1 -15.4 32.5 11.0 119 124 A S - 0 0 0 -112,-1.7 -32,-0.1 -2,-0.3 3,-0.1 -0.217 30.9-146.2 -58.9 142.1 -18.3 32.7 8.5 120 125 A D S S+ 0 0 83 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.675 75.3 6.3 -89.0 -9.7 -17.2 33.3 4.9 121 126 A S S > S- 0 0 37 1,-0.1 4,-2.8 -38,-0.0 5,-0.2 -0.971 78.4-101.0-158.5 165.6 -20.2 35.4 3.8 122 127 A V H > S+ 0 0 48 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 121.6 52.2 -59.3 -38.7 -23.3 37.0 5.2 123 128 A E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 111.3 43.8 -66.3 -44.4 -25.4 34.1 3.9 124 129 A S H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.916 112.3 55.4 -68.3 -38.8 -23.3 31.4 5.4 125 130 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.938 106.7 50.3 -55.5 -46.7 -23.2 33.5 8.7 126 131 A N H X S+ 0 0 96 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.878 113.4 45.8 -60.7 -37.5 -27.0 33.6 8.7 127 132 A R H X S+ 0 0 102 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.934 114.5 46.9 -69.9 -46.2 -27.1 29.8 8.2 128 133 A E H X S+ 0 0 11 -4,-3.2 4,-2.4 1,-0.2 3,-0.3 0.908 109.2 53.5 -64.3 -42.5 -24.4 29.1 10.8 129 134 A I H X S+ 0 0 14 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.926 109.8 48.6 -58.9 -43.5 -25.9 31.3 13.5 130 135 A A H < S+ 0 0 76 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.770 112.5 49.7 -69.6 -22.4 -29.2 29.5 13.1 131 136 A L H < S+ 0 0 54 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.895 119.1 33.5 -79.4 -45.0 -27.5 26.1 13.4 132 137 A W H < S+ 0 0 7 -4,-2.4 2,-0.4 -5,-0.1 -2,-0.2 0.752 117.5 48.7 -85.6 -26.6 -25.5 26.8 16.5 133 138 A F < - 0 0 10 -4,-2.2 -1,-0.1 -5,-0.3 5,-0.0 -0.935 68.5-134.1-124.4 139.6 -27.7 29.1 18.5 134 139 A K > - 0 0 128 -2,-0.4 3,-2.2 1,-0.1 4,-0.4 -0.590 36.5-112.9 -79.8 150.1 -31.4 29.2 19.5 135 140 A P G > S+ 0 0 102 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.824 117.0 57.6 -51.7 -35.6 -33.0 32.6 18.9 136 141 A E G 3 S+ 0 0 147 1,-0.2 4,-0.1 4,-0.0 -2,-0.0 0.602 96.0 65.3 -74.5 -8.3 -33.4 33.1 22.7 137 142 A E G < S+ 0 0 78 -3,-2.2 2,-0.4 2,-0.1 -100,-0.4 0.520 92.1 78.6 -87.9 -5.5 -29.6 32.7 23.1 138 143 A L S < S- 0 0 28 -3,-1.3 -102,-0.2 -4,-0.4 2,-0.1 -0.841 86.5-113.6-110.4 139.7 -29.0 35.9 21.1 139 144 A L - 0 0 77 -104,-2.5 3,-0.1 -2,-0.4 -2,-0.1 -0.392 22.3-168.0 -63.3 143.1 -29.3 39.5 22.2 140 145 A T S S+ 0 0 134 1,-0.2 2,-0.6 -4,-0.1 -1,-0.2 0.819 75.0 53.3 -99.0 -45.1 -32.1 41.3 20.5 141 146 A E S S- 0 0 139 2,-0.0 2,-0.5 -106,-0.0 -1,-0.2 -0.797 73.3-169.9 -95.7 120.8 -31.2 44.8 21.6 142 147 A V - 0 0 13 -2,-0.6 -107,-0.1 -3,-0.1 -109,-0.0 -0.928 10.7-174.4-117.7 135.5 -27.7 45.8 20.8 143 148 A K - 0 0 156 -2,-0.5 2,-0.1 0, 0.0 -2,-0.0 -0.896 7.4-165.4-129.3 102.6 -25.9 48.9 22.0 144 149 A P - 0 0 32 0, 0.0 -112,-0.1 0, 0.0 5,-0.1 -0.430 46.3 -78.6 -79.5 159.0 -22.4 49.6 20.7 145 150 A N > - 0 0 90 -114,-0.2 3,-1.1 1,-0.1 4,-0.4 -0.290 46.1-125.8 -51.3 143.5 -20.1 52.2 22.4 146 151 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.573 104.2 64.0 -75.8 -5.7 -21.5 55.5 21.2 147 152 A N T 3 S+ 0 0 140 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 0.213 89.0 71.4 -98.3 8.0 -18.1 56.7 19.9 148 153 A L S < S+ 0 0 74 -3,-1.1 2,-0.4 1,-0.2 -1,-0.1 0.782 92.6 48.1 -97.1 -32.1 -17.8 53.9 17.3 149 154 A Y 0 0 62 -4,-0.4 -1,-0.2 1,-0.2 -147,-0.0 -0.921 360.0 360.0-121.6 141.7 -20.4 54.9 14.7 150 155 A E 0 0 255 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.895 360.0 360.0 -85.5 360.0 -21.2 58.1 12.9