==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-APR-02 1GY0 . COMPND 2 MOLECULE: T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.MUELLER-DIECKMANN,G.E.SCHULZ . 223 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.0 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 . 1 0.4 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 1 1 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 4 A P 0 0 98 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 173.2 17.8 24.6 5.2 2 5 A L E -a 129 0A 79 126,-3.0 128,-3.2 2,-0.0 2,-0.3 -0.836 360.0-113.5-113.8 152.2 18.9 27.4 7.5 3 6 A M E -a 130 0A 98 -2,-0.3 2,-0.6 126,-0.2 128,-0.2 -0.635 17.9-152.4 -86.8 140.3 21.0 27.1 10.6 4 7 A L E +a 131 0A 5 126,-2.6 128,-1.9 -2,-0.3 130,-0.3 -0.961 43.8 116.6-113.6 117.2 19.6 27.8 14.1 5 8 A D S S- 0 0 46 -2,-0.6 133,-2.5 133,-0.4 128,-0.0 -0.672 79.6 -53.9-153.0-154.9 22.3 29.1 16.5 6 9 A T - 0 0 51 131,-0.3 131,-0.1 -2,-0.2 133,-0.1 0.359 68.0-120.8 -81.9 9.6 23.3 32.1 18.6 7 10 A A > + 0 0 11 131,-0.2 3,-1.0 1,-0.1 132,-0.1 0.958 41.5 178.4 51.1 57.2 23.1 34.4 15.6 8 11 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 132,-0.0 0.799 75.7 40.5 -60.8 -29.7 26.8 35.5 16.0 9 12 A N T 3 S+ 0 0 65 79,-0.1 82,-2.8 2,-0.1 83,-0.3 0.416 89.1 112.5-102.5 3.9 26.7 37.8 13.0 10 13 A A S < S- 0 0 4 -3,-1.0 2,-0.5 80,-0.2 78,-0.2 -0.496 75.4-113.7 -79.2 141.7 23.3 39.4 13.4 11 14 A F + 0 0 0 76,-2.1 180,-0.1 -2,-0.2 -1,-0.1 -0.635 46.1 167.0 -70.8 124.2 22.9 43.1 14.3 12 15 A D + 0 0 2 -2,-0.5 -1,-0.1 180,-0.1 128,-0.1 0.127 2.3 167.5-132.0 23.7 21.5 42.8 17.8 13 16 A D + 0 0 0 1,-0.2 206,-0.2 203,-0.1 179,-0.1 -0.080 15.5 179.4 -46.1 130.8 21.7 46.3 19.3 14 17 A Q - 0 0 4 204,-0.5 -1,-0.2 2,-0.1 205,-0.1 0.374 38.0-131.4-109.8 -6.8 19.7 46.7 22.5 15 18 A Y > - 0 0 3 1,-0.2 3,-1.1 203,-0.2 2,-0.6 0.883 32.3-176.3 56.6 46.8 20.8 50.3 22.9 16 19 A E T 3 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.631 71.1 2.4 -77.7 119.6 21.8 50.1 26.6 17 20 A G T 3 S+ 0 0 90 -2,-0.6 -1,-0.2 1,-0.0 4,-0.1 0.446 120.6 74.3 87.1 0.3 22.9 53.5 27.8 18 21 A a <> + 0 0 9 -3,-1.1 4,-2.6 2,-0.1 5,-0.2 0.193 50.8 111.3-132.8 21.8 22.1 55.4 24.5 19 22 A V H > S+ 0 0 30 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.950 84.4 46.3 -58.5 -50.6 18.4 55.7 24.3 20 23 A N H > S+ 0 0 143 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.905 114.0 47.8 -61.6 -41.9 18.4 59.5 24.8 21 24 A K H >> S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.925 112.1 50.6 -66.1 -40.3 21.2 60.0 22.4 22 25 A M H 3X S+ 0 0 1 -4,-2.6 4,-4.0 1,-0.2 -2,-0.2 0.912 103.4 56.6 -65.0 -42.6 19.5 57.8 19.8 23 26 A E H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.1 45.6 -60.3 -23.2 16.1 59.6 20.0 24 27 A E H << S+ 0 0 134 -4,-0.9 4,-0.3 -3,-0.5 -1,-0.2 0.857 123.4 32.4 -86.7 -36.6 17.9 62.8 19.1 25 28 A K H >X S+ 0 0 62 -4,-1.9 4,-2.1 1,-0.1 3,-0.8 0.732 98.9 78.5 -92.4 -27.5 20.0 61.3 16.3 26 29 A A H 3X S+ 0 0 0 -4,-4.0 4,-2.6 1,-0.2 5,-0.2 0.803 84.9 64.5 -56.8 -29.2 17.7 58.7 14.8 27 30 A P H 3> S+ 0 0 45 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.929 108.8 38.6 -63.2 -38.9 15.6 61.3 12.9 28 31 A L H <> S+ 0 0 93 -3,-0.8 4,-1.8 -4,-0.3 3,-0.2 0.902 113.2 57.0 -74.4 -38.9 18.5 62.2 10.7 29 32 A L H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 72,-0.3 0.897 103.8 55.3 -56.3 -38.8 19.6 58.6 10.5 30 33 A L H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.882 104.4 51.0 -63.1 -41.2 16.2 57.8 9.1 31 34 A Q H X S+ 0 0 126 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.878 111.6 49.9 -62.4 -37.3 16.5 60.3 6.3 32 35 A E H X S+ 0 0 103 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.900 108.7 50.4 -67.4 -44.2 19.9 58.6 5.5 33 36 A D H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.940 112.7 49.3 -58.3 -45.6 18.4 55.1 5.5 34 37 A F H >< S+ 0 0 31 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.863 101.5 60.7 -61.7 -41.5 15.7 56.5 3.2 35 38 A N H 3< S+ 0 0 112 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.703 119.3 29.2 -62.3 -18.2 18.2 58.1 0.8 36 39 A M T << S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.187 116.9 58.6-128.1 20.0 19.7 54.7 0.2 37 40 A N <> + 0 0 17 -3,-1.2 4,-2.3 -4,-0.1 -1,-0.2 -0.598 51.4 173.2-151.6 81.2 16.7 52.4 0.7 38 41 A A H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 81.9 55.0 -58.5 -38.8 13.7 53.2 -1.6 39 42 A K H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 109.5 46.9 -64.4 -42.1 11.8 50.2 -0.5 40 43 A L H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.938 110.4 52.4 -65.3 -45.9 12.0 51.2 3.2 41 44 A K H X S+ 0 0 83 -4,-2.3 4,-2.5 -7,-0.2 -1,-0.2 0.926 112.7 45.2 -55.8 -46.2 11.0 54.8 2.4 42 45 A V H X S+ 0 0 73 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.937 114.5 47.7 -63.3 -47.3 7.9 53.6 0.5 43 46 A A H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.889 112.8 50.4 -62.1 -37.3 7.0 51.1 3.2 44 47 A W H X S+ 0 0 23 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.934 106.4 52.9 -67.1 -46.3 7.5 53.8 5.8 45 48 A E H X S+ 0 0 100 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.875 113.9 44.0 -57.7 -38.2 5.3 56.5 4.1 46 49 A E H X S+ 0 0 116 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.883 111.0 53.1 -74.3 -39.5 2.4 54.0 3.9 47 50 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.874 105.0 57.3 -62.7 -35.6 2.9 52.7 7.4 48 51 A K H X S+ 0 0 66 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.905 103.7 51.7 -63.1 -41.3 2.7 56.4 8.6 49 52 A K H X S+ 0 0 144 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.930 113.3 44.6 -61.3 -43.0 -0.7 56.8 7.1 50 53 A R H X S+ 0 0 87 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.875 110.4 54.4 -68.5 -38.4 -2.0 53.7 8.8 51 54 A W H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.931 101.3 59.1 -61.2 -44.9 -0.4 54.7 12.1 52 55 A N H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.867 110.5 43.9 -50.2 -40.0 -2.2 58.1 12.0 53 56 A N H < S+ 0 0 127 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.822 116.5 45.4 -75.5 -34.5 -5.4 56.1 11.9 54 57 A I H >< S+ 0 0 26 -4,-1.9 3,-1.8 -3,-0.2 4,-0.3 0.889 97.5 72.3 -74.4 -45.9 -4.4 53.6 14.6 55 58 A K G >< S+ 0 0 88 -4,-3.2 3,-1.4 1,-0.2 -1,-0.1 0.809 88.8 58.0 -41.2 -50.5 -3.0 56.1 17.1 56 59 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.701 93.3 70.0 -59.1 -21.5 -6.2 57.8 18.4 57 60 A S G < S+ 0 0 85 -3,-1.8 2,-0.3 -4,-0.2 -2,-0.2 0.637 107.8 13.6 -76.2 -15.1 -7.7 54.5 19.5 58 61 A R S < S- 0 0 126 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.0 -0.970 73.5-110.0-152.8 165.9 -5.4 53.9 22.5 59 62 A S - 0 0 111 -2,-0.3 -2,-0.0 -3,-0.0 0, 0.0 -0.666 34.8-148.0 -96.0 155.3 -2.9 55.6 24.8 60 63 A Y - 0 0 49 -2,-0.3 3,-0.1 4,-0.1 4,-0.1 -0.875 28.6 -74.0-125.0 159.5 0.7 54.5 24.5 61 64 A P > - 0 0 46 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.018 61.6 -86.3 -48.4 146.8 3.7 54.3 26.9 62 65 A K T 3 S+ 0 0 207 1,-0.3 3,-0.1 50,-0.1 0, 0.0 -0.366 120.6 20.2 -55.7 128.3 5.4 57.4 28.1 63 66 A G T 3 S+ 0 0 50 1,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.218 87.2 130.5 95.1 -17.6 8.0 58.2 25.4 64 67 A F < + 0 0 23 -3,-2.7 -1,-0.3 48,-0.1 2,-0.2 -0.628 38.5 176.6 -72.6 119.1 6.4 56.1 22.7 65 68 A N > - 0 0 49 -2,-0.6 4,-2.3 -3,-0.1 3,-0.3 -0.535 46.6 -83.5-118.0-175.9 6.2 58.4 19.7 66 69 A D H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.782 124.5 57.9 -59.8 -30.8 5.2 58.4 16.0 67 70 A F H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 109.3 46.2 -64.0 -44.8 8.6 56.9 15.0 68 71 A H H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.938 115.6 44.2 -62.8 -49.9 7.9 53.9 17.3 69 72 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 115.1 47.8 -63.5 -44.7 4.4 53.4 16.1 70 73 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.905 110.9 51.4 -64.2 -40.9 5.2 53.8 12.5 71 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.930 111.6 47.4 -62.0 -44.4 8.2 51.4 12.7 72 75 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.910 113.4 47.9 -64.5 -41.4 6.0 48.7 14.4 73 76 A V H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.944 111.7 50.2 -64.2 -45.8 3.3 49.2 11.8 74 77 A A H ><>S+ 0 0 3 -4,-3.0 3,-1.9 1,-0.2 5,-0.6 0.900 104.1 59.6 -60.7 -38.0 5.8 49.0 9.0 75 78 A Y H 3<5S+ 0 0 7 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.839 100.6 52.7 -61.6 -34.6 7.3 45.8 10.4 76 79 A T T <<5S+ 0 0 25 -4,-1.2 -1,-0.3 -3,-0.5 104,-0.2 0.477 107.2 78.4 -76.7 -1.1 4.0 43.9 10.2 77 80 A G T X 5S- 0 0 23 -3,-1.9 3,-0.8 -4,-0.3 -3,-0.1 -0.047 109.0 -79.3 -90.3-161.9 4.1 45.1 6.6 78 81 A S T > 5S+ 0 0 113 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.633 115.1 76.3 -79.3 -14.5 6.1 43.8 3.5 79 82 A I T 3> S+ 0 0 16 -3,-0.8 4,-2.6 -6,-0.4 5,-0.2 0.845 82.0 54.2 -52.4 -40.9 9.9 42.8 7.1 81 84 A V H <> S+ 0 0 116 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.956 112.3 40.0 -63.5 -52.5 11.6 40.3 4.8 82 85 A D H > S+ 0 0 57 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.894 116.5 51.7 -65.7 -36.2 14.3 42.6 3.5 83 86 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 109.4 48.7 -63.4 -48.0 14.9 44.1 7.0 84 87 A N H X S+ 0 0 17 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.872 112.8 49.5 -59.2 -39.6 15.2 40.7 8.6 85 88 A R H X S+ 0 0 134 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.953 109.0 50.8 -64.5 -51.3 17.7 39.7 5.9 86 89 A A H < S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 114.9 44.1 -54.6 -39.5 19.8 42.9 6.3 87 90 A V H >< S+ 0 0 0 -4,-2.2 -76,-2.1 2,-0.2 3,-1.4 0.921 112.7 50.8 -72.2 -46.6 19.9 42.3 10.1 88 91 A R H 3< S+ 0 0 102 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.906 118.2 38.0 -57.6 -44.6 20.7 38.6 9.9 89 92 A E T 3X S+ 0 0 80 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.111 85.1 115.5 -98.2 23.2 23.6 39.1 7.4 90 93 A F T X4 S+ 0 0 4 -3,-1.4 3,-1.9 1,-0.2 -80,-0.2 0.942 71.9 48.4 -55.6 -61.3 24.8 42.3 9.1 91 94 A K T 34 S+ 0 0 110 -82,-2.8 -1,-0.2 -4,-0.3 -81,-0.1 0.752 97.7 75.0 -55.7 -24.3 28.3 41.3 10.2 92 95 A E T 34 S- 0 0 106 -83,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.887 129.2 -17.3 -55.6 -40.8 28.8 39.9 6.7 93 96 A N X< - 0 0 96 -3,-1.9 3,-1.6 -4,-0.7 -1,-0.2 -0.309 64.2-176.9-169.6 76.3 29.3 43.5 5.6 94 97 A P G > S+ 0 0 56 0, 0.0 3,-1.1 0, 0.0 -3,-0.1 0.569 70.4 84.7 -52.8 -14.9 28.0 46.3 7.9 95 98 A G G 3 S+ 0 0 52 1,-0.3 -5,-0.0 -5,-0.1 -2,-0.0 0.769 92.9 43.1 -64.1 -26.0 28.9 49.1 5.4 96 99 A Q G < S+ 0 0 119 -3,-1.6 2,-0.8 -6,-0.2 -1,-0.3 -0.214 74.5 129.3-117.0 45.4 25.6 48.7 3.5 97 100 A F < + 0 0 5 -3,-1.1 3,-0.4 1,-0.1 2,-0.3 -0.872 29.3 179.8-100.5 105.9 23.0 48.4 6.3 98 101 A H + 0 0 31 -2,-0.8 -58,-0.1 1,-0.2 -62,-0.1 -0.322 64.0 76.8-106.3 50.6 20.3 50.9 5.6 99 102 A Y > + 0 0 4 -2,-0.3 4,-3.3 -13,-0.1 5,-0.3 -0.118 52.1 128.4-141.3 26.2 18.0 50.3 8.5 100 103 A K H > S+ 0 0 33 -3,-0.4 4,-1.3 1,-0.2 -70,-0.1 0.952 84.6 29.0 -54.0 -56.0 20.1 52.1 11.1 101 104 A A H > S+ 0 0 0 -72,-0.3 4,-2.8 2,-0.2 5,-0.2 0.894 119.7 56.6 -73.1 -39.4 17.2 54.3 12.4 102 105 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.936 106.5 49.1 -57.0 -49.7 14.5 51.7 11.6 103 106 A H H X S+ 0 0 4 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.909 112.4 49.4 -57.6 -43.4 16.2 49.0 13.7 104 107 A Y H X S+ 0 0 0 -4,-1.3 4,-3.1 -5,-0.3 5,-0.2 0.953 111.8 46.4 -62.1 -50.4 16.5 51.4 16.6 105 108 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.892 114.6 47.1 -61.5 -39.9 12.9 52.6 16.5 106 109 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.932 113.7 48.5 -66.7 -46.2 11.5 49.0 16.2 107 110 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.948 114.4 45.1 -58.8 -49.1 13.7 47.8 19.0 108 111 A R H X S+ 0 0 62 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.885 108.3 58.1 -64.0 -36.6 12.7 50.7 21.3 109 112 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.938 109.7 44.0 -58.1 -47.4 9.0 50.3 20.4 110 113 A L H X S+ 0 0 3 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.871 113.5 50.6 -66.9 -36.4 9.2 46.7 21.7 111 114 A Q H >< S+ 0 0 48 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.933 111.0 48.4 -66.8 -45.0 11.1 47.7 24.8 112 115 A L H 3< S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.9 44.5 -62.0 -35.1 8.7 50.5 25.6 113 116 A L H 3< S+ 0 0 35 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.574 94.1 102.8 -87.8 -8.7 5.7 48.1 25.2 114 117 A S << + 0 0 32 -4,-0.9 2,-0.2 -3,-0.6 59,-0.1 -0.463 40.3 169.5 -81.8 147.2 7.2 45.2 27.1 115 118 A N - 0 0 120 2,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.382 57.4 -74.8-127.3-153.2 6.3 44.1 30.6 116 119 A G S S+ 0 0 64 -2,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.758 86.4 128.7 -84.3 -22.8 7.1 41.0 32.6 117 120 A D - 0 0 93 54,-0.1 2,-0.3 1,-0.1 -2,-0.2 0.097 40.7-163.4 -39.4 130.3 4.7 38.9 30.6 118 121 A b - 0 0 61 53,-0.1 2,-0.3 55,-0.0 52,-0.3 -0.848 10.6-159.5-113.6 152.5 5.9 35.6 29.1 119 122 A H E -B 169 0B 41 50,-3.1 50,-2.2 -2,-0.3 2,-0.7 -0.937 23.8-131.1-136.5 159.5 4.0 33.9 26.3 120 123 A S E +B 168 0B 81 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.954 46.7 166.9-105.6 112.8 3.5 30.5 24.7 121 124 A V E -B 167 0B 0 46,-2.9 46,-2.6 -2,-0.7 2,-0.3 -0.817 27.2-144.5-128.4 167.8 3.8 31.2 20.9 122 125 A Y E -BC 166 146B 54 24,-2.4 24,-2.8 -2,-0.3 2,-0.4 -0.971 6.7-168.2-132.9 146.8 4.2 29.4 17.7 123 126 A R E -B 165 0B 41 42,-1.9 42,-3.5 -2,-0.3 2,-0.4 -0.981 6.9-163.3-138.4 122.1 6.0 30.2 14.5 124 127 A G E +B 164 0B 10 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.828 11.0 179.0-105.4 144.0 5.6 28.3 11.2 125 128 A T - 0 0 14 38,-2.1 34,-1.2 -2,-0.4 38,-0.4 -0.904 34.3-142.8-136.4 167.6 8.0 28.5 8.3 126 129 A K S S+ 0 0 106 -2,-0.3 2,-0.5 36,-0.2 32,-0.1 0.311 86.2 78.9-109.2 1.9 8.3 27.0 4.8 127 130 A T S S- 0 0 66 36,-0.1 36,-0.3 -126,-0.0 2,-0.2 -0.950 86.2-120.4-112.8 130.9 12.1 26.8 5.2 128 131 A R - 0 0 55 -2,-0.5 -126,-3.0 33,-0.4 2,-0.4 -0.498 23.3-151.1 -72.8 133.2 13.6 24.0 7.3 129 132 A F E -a 2 0A 32 -2,-0.2 2,-0.5 -128,-0.2 -126,-0.2 -0.916 5.0-160.2-108.0 131.7 15.7 25.0 10.3 130 133 A H E -a 3 0A 87 -128,-3.2 -126,-2.6 -2,-0.4 2,-0.5 -0.957 15.1-137.6-114.2 118.3 18.6 22.9 11.6 131 134 A Y E -a 4 0A 63 -2,-0.5 -126,-0.2 -128,-0.2 -128,-0.1 -0.618 11.2-157.0 -73.3 117.5 19.8 23.4 15.1 132 135 A T - 0 0 72 -128,-1.9 -1,-0.1 -2,-0.5 -127,-0.1 0.017 37.9-109.7 -90.1 30.7 23.6 23.3 15.0 133 136 A G + 0 0 55 -129,-0.1 -128,-0.1 1,-0.1 -1,-0.1 0.675 64.9 148.4 53.7 29.5 24.2 22.3 18.6 134 137 A A - 0 0 58 -130,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.765 68.0-108.6 -62.5 -28.0 25.7 25.6 19.8 135 138 A G S S+ 0 0 49 1,-0.1 2,-0.3 63,-0.0 63,-0.1 0.134 90.0 20.7 118.9 -20.1 24.2 25.2 23.3 136 139 A S S S- 0 0 25 61,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.950 72.2-126.5-164.5 171.8 21.5 27.9 23.0 137 140 A V B +D 195 0B 0 58,-1.6 58,-2.5 -2,-0.3 2,-0.3 -0.981 17.5 177.0-137.2 145.3 19.6 29.9 20.4 138 141 A R - 0 0 14 -133,-2.5 -133,-0.4 -2,-0.3 -131,-0.2 -0.964 26.5-142.0-136.1 146.4 18.9 33.5 19.5 139 142 A F - 0 0 21 54,-0.5 2,-2.1 -2,-0.3 52,-0.2 0.790 21.9-159.9 -80.9 -26.4 16.9 34.5 16.4 140 143 A G + 0 0 3 51,-2.2 51,-0.4 53,-0.2 2,-0.2 -0.373 70.0 65.2 82.3 -61.2 19.1 37.5 15.7 141 144 A Q S S- 0 0 15 -2,-2.1 -2,-0.1 50,-0.2 -57,-0.1 -0.517 103.9 -93.6 -87.9 157.8 16.5 39.1 13.6 142 145 A F - 0 0 4 -2,-0.2 2,-0.4 48,-0.1 -1,-0.1 -0.431 49.5-161.1 -65.5 153.5 13.1 40.2 15.0 143 146 A T E - E 0 189B 1 46,-1.9 46,-2.6 -3,-0.1 2,-0.2 -0.990 11.7-139.0-145.6 132.6 10.7 37.4 14.4 144 147 A S E + E 0 188B 49 -2,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.524 27.0 168.3 -86.8 158.1 6.9 37.3 14.4 145 148 A S E - E 0 187B 9 42,-1.2 42,-2.7 -2,-0.2 2,-0.4 -0.930 24.1-125.2-157.3 171.4 4.9 34.5 16.1 146 149 A S E -CE 122 186B 7 -24,-2.8 -24,-2.4 -2,-0.3 40,-0.2 -0.976 13.2-138.6-132.7 145.3 1.3 33.8 17.0 147 150 A L S S+ 0 0 65 38,-1.6 2,-0.6 -2,-0.4 38,-0.1 0.753 93.5 75.3 -67.9 -23.0 -0.4 32.8 20.3 148 151 A S > - 0 0 38 36,-0.4 4,-1.9 37,-0.2 5,-0.1 -0.825 65.9-160.5 -97.4 120.7 -2.4 30.4 18.1 149 152 A K H > S+ 0 0 88 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.840 94.6 60.9 -63.3 -32.4 -0.8 27.2 16.9 150 153 A K H > S+ 0 0 173 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.924 104.3 46.1 -61.2 -47.3 -3.5 27.1 14.2 151 154 A V H >4 S+ 0 0 25 1,-0.2 3,-1.1 2,-0.2 6,-0.3 0.942 112.9 51.4 -59.3 -48.0 -2.5 30.4 12.7 152 155 A A H 3< S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.3 46.9 -58.4 -37.7 1.2 29.4 12.8 153 156 A Q H 3< S+ 0 0 77 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.505 86.9 119.1 -85.2 -5.3 0.4 26.1 11.0 154 157 A S S XX S- 0 0 37 -3,-1.1 4,-2.5 -4,-0.7 3,-2.5 -0.269 81.8-109.5 -63.8 148.8 -1.7 27.7 8.3 155 158 A Q T 34 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.591 114.7 75.3 -53.4 -11.8 -0.7 27.4 4.6 156 159 A E T 34 S+ 0 0 118 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.889 118.5 4.9 -68.4 -39.8 0.1 31.0 4.9 157 160 A F T <4 S+ 0 0 79 -3,-2.5 2,-0.3 -6,-0.3 -2,-0.2 0.677 120.9 62.7-117.4 -25.6 3.3 30.5 6.9 158 161 A F < + 0 0 29 -4,-2.5 2,-0.3 -32,-0.1 -32,-0.2 -0.752 42.1 160.3-116.5 154.3 3.9 26.7 7.1 159 162 A S > - 0 0 29 -34,-1.2 3,-2.7 -2,-0.3 -34,-0.2 -0.961 53.3-102.1-159.4 158.5 4.6 23.7 4.9 160 163 A D T 3 S+ 0 0 135 1,-0.3 -34,-0.0 -2,-0.3 -1,-0.0 0.805 123.0 62.3 -54.2 -32.2 6.1 20.1 5.2 161 164 A H T 3 S+ 0 0 156 2,-0.1 -33,-0.4 -33,-0.0 -1,-0.3 0.666 107.4 57.2 -65.1 -20.3 9.2 21.7 3.7 162 165 A G S < S- 0 0 0 -3,-2.7 2,-0.3 -37,-0.2 -36,-0.2 0.120 81.0 -99.4 -98.7-150.4 9.4 23.9 6.8 163 166 A T - 0 0 0 -38,-0.4 -38,-2.1 -36,-0.3 2,-0.5 -0.982 10.5-147.0-139.1 147.5 9.5 24.1 10.6 164 167 A L E -Bf 124 205B 1 40,-2.9 42,-2.4 -2,-0.3 2,-0.4 -0.968 18.0-157.9-114.6 116.3 7.2 24.7 13.5 165 168 A F E -Bf 123 206B 0 -42,-3.5 -42,-1.9 -2,-0.5 2,-0.6 -0.792 5.5-161.7 -94.9 136.9 8.7 26.5 16.4 166 169 A I E -Bf 122 207B 32 40,-2.6 42,-3.1 -2,-0.4 2,-0.4 -0.974 26.7-173.5-117.5 107.4 7.0 26.1 19.8 167 170 A I E -Bf 121 208B 4 -46,-2.6 -46,-2.9 -2,-0.6 2,-0.7 -0.884 32.6-160.2-117.3 136.4 8.4 29.0 21.8 168 171 A K E +B 120 0B 84 40,-2.3 2,-0.3 -2,-0.4 -48,-0.2 -0.946 30.9 176.9-106.8 112.7 8.3 30.3 25.4 169 172 A T E +B 119 0B 0 -50,-2.2 -50,-3.1 -2,-0.7 41,-0.0 -0.887 27.8 178.6-118.6 150.5 9.2 34.0 25.2 170 173 A b S S+ 0 0 28 -2,-0.3 -55,-0.1 -52,-0.3 -1,-0.1 0.339 87.5 48.7-128.5 0.4 9.3 36.6 27.9 171 174 A L S S+ 0 0 33 19,-0.1 -53,-0.1 -52,-0.1 17,-0.1 0.487 84.8 113.0-113.2 -12.9 10.5 39.6 25.9 172 175 A G - 0 0 3 17,-0.1 2,-0.4 -53,-0.1 17,-0.3 -0.343 57.6-144.2 -63.5 139.1 7.9 39.1 23.1 173 176 A V E -G 188 0B 9 15,-2.9 15,-3.0 -59,-0.1 2,-0.7 -0.905 11.1-128.3-113.8 134.3 5.3 41.8 22.8 174 177 A Y E +G 187 0B 94 -2,-0.4 13,-0.2 13,-0.2 3,-0.2 -0.694 32.7 172.6 -78.0 113.4 1.6 41.2 21.9 175 178 A I >> + 0 0 2 11,-1.9 3,-1.3 -2,-0.7 4,-1.2 -0.130 26.4 135.0-118.5 34.8 1.1 43.7 19.0 176 179 A K T 34 S+ 0 0 65 1,-0.3 2,-0.4 10,-0.2 3,-0.4 0.858 72.1 63.6 -49.2 -38.4 -2.4 42.9 17.7 177 180 A E T 34 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.2 -104,-0.1 -0.062 107.5 39.6 -80.1 31.4 -3.0 46.6 17.7 178 181 A F T <4 S+ 0 0 8 -3,-1.3 -1,-0.2 -2,-0.4 -2,-0.2 0.382 87.4 110.9-147.4 -25.4 -0.4 47.3 15.0 179 182 A S < - 0 0 7 -4,-1.2 -106,-0.1 -3,-0.4 -102,-0.1 -0.319 63.4-140.7 -66.3 135.9 -0.8 44.3 12.6 180 183 A F S S+ 0 0 79 1,-0.3 -1,-0.1 -104,-0.2 -103,-0.1 0.774 103.8 48.2 -63.9 -24.9 -2.1 44.8 9.1 181 184 A R S > S- 0 0 143 -105,-0.1 3,-1.4 1,-0.1 5,-0.3 -0.887 72.9-170.3-122.5 97.1 -3.9 41.5 9.8 182 185 A P T 3 S+ 0 0 71 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.388 78.0 66.6 -65.7 -1.9 -5.7 41.6 13.2 183 186 A D T 3 S+ 0 0 113 1,-0.2 -32,-0.1 2,-0.1 -7,-0.0 0.524 80.0 81.9 -98.2 -4.2 -6.6 37.9 13.3 184 187 A Q S < S- 0 0 19 -3,-1.4 -36,-0.4 -8,-0.1 -37,-0.2 0.656 81.5-145.9 -73.0 -19.3 -3.0 36.7 13.6 185 188 A E - 0 0 44 -3,-0.3 -38,-1.6 1,-0.2 -37,-0.2 0.902 32.6-161.5 50.3 44.7 -2.7 37.3 17.4 186 189 A E E -E 146 0B 25 -5,-0.3 -11,-1.9 -40,-0.2 2,-0.5 -0.259 22.9-168.4 -66.8 137.3 0.9 38.3 16.6 187 190 A V E -EG 145 174B 0 -42,-2.7 -42,-1.2 -13,-0.2 2,-0.5 -0.998 14.8-147.3-123.5 124.2 3.6 38.4 19.2 188 191 A L E -EG 144 173B 0 -15,-3.0 -15,-2.9 -2,-0.5 -44,-0.2 -0.863 11.4-160.3 -99.8 126.3 6.8 40.1 18.1 189 192 A I E -E 143 0B 0 -46,-2.6 -46,-1.9 -2,-0.5 -17,-0.1 -0.890 16.4-126.3-109.1 128.9 10.1 38.8 19.6 190 193 A P > - 0 0 2 0, 0.0 3,-1.4 0, 0.0 -51,-0.3 -0.472 21.3-124.4 -72.0 147.0 13.4 40.7 19.6 191 194 A G T 3 S+ 0 0 3 -51,-0.4 -51,-2.2 1,-0.3 -52,-0.2 0.575 102.9 67.2 -68.2 -9.3 16.3 38.9 18.1 192 195 A Y T 3 S+ 0 0 14 -53,-0.1 22,-0.7 -54,-0.1 2,-0.3 0.363 70.0 111.4 -95.0 5.1 18.4 39.2 21.2 193 196 A E E < - H 0 213B 1 -3,-1.4 -54,-0.5 20,-0.1 2,-0.4 -0.626 60.4-143.4 -77.0 138.7 16.3 37.0 23.5 194 197 A V E - H 0 212B 8 18,-2.7 18,-2.2 -2,-0.3 2,-0.7 -0.873 7.8-153.1-108.8 136.5 18.2 33.8 24.3 195 198 A Y E -DH 137 211B 0 -58,-2.5 -58,-1.6 -2,-0.4 15,-0.2 -0.941 7.7-172.5-108.2 108.8 16.6 30.3 24.6 196 199 A Q E S+ 0 0 89 14,-2.1 2,-0.5 -2,-0.7 14,-0.2 0.676 72.6 58.8 -75.8 -18.9 18.7 28.2 27.0 197 200 A K E + H 0 209B 127 12,-1.9 12,-2.7 -60,-0.1 2,-0.4 -0.957 65.6 177.2-116.8 124.0 16.7 25.0 26.3 198 201 A V E + H 0 208B 28 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.981 1.8 174.3-130.0 123.4 16.5 23.7 22.7 199 202 A R E - H 0 207B 108 8,-2.5 8,-3.4 -2,-0.4 2,-0.4 -0.966 15.7-157.4-135.6 123.6 14.8 20.6 21.6 200 203 A T E - H 0 206B 76 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.775 12.9-170.7 -94.1 137.6 14.3 19.3 18.1 201 204 A Q E > - H 0 205B 81 4,-3.0 4,-1.3 -2,-0.4 3,-0.4 -0.980 52.6 -31.9-133.2 121.3 11.4 16.8 17.7 202 205 A G T 4 S- 0 0 65 -2,-0.4 3,-0.2 1,-0.2 -1,-0.0 -0.210 103.6 -49.8 65.9-163.2 10.9 14.9 14.5 203 206 A Y T 4 S+ 0 0 202 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.700 133.3 21.2 -83.1 -17.6 11.8 16.5 11.2 204 207 A N T 4 S+ 0 0 43 -3,-0.4 -40,-2.9 -41,-0.1 2,-0.4 0.200 93.9 92.6-142.1 28.8 10.1 19.8 11.7 205 208 A E E < -fH 164 201B 40 -4,-1.3 -4,-3.0 -42,-0.2 2,-0.4 -0.981 41.2-178.2-122.7 133.5 9.4 20.8 15.3 206 209 A I E -fH 165 200B 2 -42,-2.4 -40,-2.6 -2,-0.4 2,-0.5 -0.986 12.2-155.0-132.6 122.1 11.7 22.8 17.4 207 210 A F E -fH 166 199B 35 -8,-3.4 -8,-2.5 -2,-0.4 2,-0.6 -0.856 8.2-166.5 -97.6 126.2 10.9 23.6 21.1 208 211 A L E +fH 167 198B 0 -42,-3.1 -40,-2.3 -2,-0.5 -10,-0.2 -0.962 21.5 158.2-118.8 116.4 12.6 26.8 22.4 209 212 A D E + H 0 197B 56 -12,-2.7 -12,-1.9 -2,-0.6 -13,-0.3 -0.627 38.0 48.2-128.1-177.3 12.4 27.2 26.2 210 213 A S E S- 0 0 55 -14,-0.2 -14,-2.1 -15,-0.2 -1,-0.2 0.928 70.8-158.3 45.6 59.5 14.1 28.8 29.2 211 214 A P E + H 0 195B 20 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.306 17.0 173.4 -64.6 149.1 14.1 32.3 27.7 212 215 A K E - H 0 194B 97 -18,-2.2 -18,-2.7 2,-0.0 2,-0.4 -0.980 31.8-123.1-157.4 142.5 16.6 34.8 29.1 213 216 A R E + H 0 193B 125 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.1 -0.760 38.4 170.3 -90.4 138.0 17.8 38.2 28.3 214 217 A K - 0 0 80 -22,-0.7 -2,-0.0 -2,-0.4 0, 0.0 -0.965 40.3 -78.8-143.1 157.1 21.6 38.5 27.8 215 218 A K - 0 0 185 -2,-0.3 2,-0.2 1,-0.1 4,-0.1 -0.132 47.8-126.5 -54.5 150.4 24.0 41.1 26.5 216 219 A S - 0 0 22 2,-0.2 -1,-0.1 1,-0.1 -203,-0.1 -0.531 13.7-119.8 -96.6 166.7 24.2 41.6 22.7 217 220 A N S S+ 0 0 105 -207,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.794 101.8 44.5 -74.8 -30.5 27.3 41.5 20.5 218 221 A Y - 0 0 39 -208,-0.1 -204,-0.5 2,-0.0 2,-0.3 -0.888 66.8-178.7-114.1 146.8 26.6 45.1 19.4 219 222 A N - 0 0 80 -2,-0.3 4,-0.1 -206,-0.2 -206,-0.1 -0.927 69.3 -20.5-148.8 122.6 25.6 48.0 21.6 220 223 A a S > S+ 0 0 18 -2,-0.3 3,-1.3 1,-0.1 -1,-0.0 0.842 76.2 164.1 51.3 39.1 24.9 51.5 20.6 221 224 A L T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.894 74.0 33.0 -53.5 -47.8 26.8 51.0 17.3 222 225 A Y T 3 0 0 41 1,-0.2 -1,-0.3 -122,-0.1 -2,-0.1 0.249 360.0 360.0 -97.7 16.4 25.4 54.0 15.5 223 226 A S < 0 0 70 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.1 0.640 360.0 360.0 -81.6 360.0 25.0 56.3 18.6