==== 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 19-NOV-03 1RJF . COMPND 2 MOLECULE: CARBOXY METHYL TRANSFERASE FOR PROTEIN PHOSPHATAS . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.LEULLIOT,S.QUEVILLON-CHERUEL,I.SOREL,I.L.DE LA SIERRA-GALL . 973 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 3 0.3 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 . 63 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 413 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 3 1 8 4 0 3 3 4 5 5 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 5 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 PARALLEL BRIDGES PER LADDER . 0 0 1 2 0 3 0 1 2 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 0 0 0 2 1 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 9 A D > 0 0 78 0, 0.0 4,-1.6 0, 0.0 99,-0.2 0.000 360.0 360.0 360.0 -30.5 26.8 95.9 0.2 2 10 A Y H > + 0 0 78 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.677 360.0 57.2 -70.4 -18.5 28.2 98.4 -2.3 3 11 A D H > S+ 0 0 98 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.883 105.9 49.3 -72.0 -42.4 28.9 95.5 -4.6 4 12 A A H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.839 111.7 47.5 -66.2 -36.6 25.2 94.5 -4.5 5 13 A L H X S+ 0 0 7 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.794 108.6 55.2 -75.6 -30.6 23.9 98.0 -5.3 6 14 A S H X S+ 0 0 6 -4,-1.0 4,-0.9 1,-0.2 -2,-0.2 0.799 108.2 50.2 -69.3 -30.8 26.4 98.3 -8.1 7 15 A C H X S+ 0 0 27 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.892 111.0 47.1 -72.5 -42.8 25.0 95.1 -9.7 8 16 A K H X S+ 0 0 15 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.858 113.2 46.8 -71.4 -38.5 21.3 96.2 -9.4 9 17 A L H X S+ 0 0 8 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.725 110.8 53.4 -76.9 -24.3 21.9 99.7 -10.9 10 18 A A H X S+ 0 0 5 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.789 109.2 49.2 -76.7 -31.1 24.0 98.3 -13.7 11 19 A A H X>S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 6,-1.2 0.824 112.9 46.9 -75.0 -33.7 21.2 95.8 -14.6 12 20 A I H <5S+ 0 0 8 -4,-1.4 -2,-0.2 4,-0.2 -1,-0.2 0.832 108.6 54.6 -77.4 -34.2 18.5 98.6 -14.6 13 21 A S H <5S+ 0 0 40 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 113.6 41.2 -70.6 -32.0 20.7 101.0 -16.7 14 22 A V H <5S- 0 0 39 -4,-1.0 -2,-0.2 -5,-0.1 -1,-0.2 0.851 119.7-106.8 -82.1 -38.6 21.1 98.4 -19.5 15 23 A G T <5S+ 0 0 11 -4,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.263 84.6 119.1 130.2 -10.2 17.5 97.2 -19.3 16 24 A Y < + 0 0 0 -5,-1.0 -4,-0.2 -6,-0.2 -5,-0.1 0.898 67.9 76.9 -49.2 -49.3 17.7 93.7 -17.7 17 25 A L + 0 0 1 -6,-1.2 -2,-0.2 -9,-0.2 2,-0.1 -0.872 67.9 46.5-113.6 151.9 15.5 95.0 -14.8 18 26 A P - 0 0 30 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.502 61.6-173.2 -82.3 147.4 12.7 95.6 -14.3 19 27 A S > - 0 0 1 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.905 5.2-167.1 -99.4 103.6 11.1 92.5 -15.7 20 28 A S T 4 S+ 0 0 19 -2,-0.8 5,-0.5 1,-0.2 4,-0.2 0.674 79.9 55.5 -69.3 -19.1 7.4 93.2 -15.4 21 29 A G T 4 S+ 0 0 22 3,-0.2 -1,-0.2 2,-0.1 394,-0.0 0.955 116.1 30.2 -76.1 -54.7 6.4 89.6 -16.1 22 30 A L T 4 S+ 0 0 35 1,-0.2 -2,-0.2 2,-0.1 60,-0.1 0.857 125.7 44.4 -77.4 -38.1 8.3 87.7 -13.4 23 31 A Q S < S- 0 0 7 -4,-2.1 -1,-0.2 2,-0.1 -3,-0.2 0.545 103.3-134.3 -81.2 -10.2 8.2 90.6 -10.8 24 32 A R + 0 0 67 -5,-0.2 2,-0.3 1,-0.2 -3,-0.2 0.858 43.5 165.9 59.2 41.3 4.5 91.2 -11.6 25 33 A L - 0 0 4 -5,-0.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.646 29.8-132.7 -89.2 144.3 5.0 95.0 -11.8 26 34 A S > - 0 0 13 -2,-0.3 4,-0.8 412,-0.1 411,-0.2 -0.032 35.2 -92.5 -77.8-172.3 2.3 97.3 -13.4 27 35 A V H > S+ 0 0 40 409,-1.9 4,-1.2 2,-0.2 410,-0.1 0.886 128.0 41.1 -72.2 -40.8 3.1 100.1 -15.9 28 36 A D H > S+ 0 0 87 408,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 115.5 49.9 -73.5 -39.7 3.4 102.7 -13.1 29 37 A L H > S+ 0 0 10 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.607 106.7 56.1 -77.6 -13.9 5.4 100.4 -10.8 30 38 A S H X S+ 0 0 20 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.837 111.1 43.9 -79.9 -39.2 7.8 99.5 -13.7 31 39 A K H X S+ 0 0 53 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.863 114.3 50.5 -67.2 -38.7 8.6 103.2 -14.2 32 40 A K H X S+ 0 0 70 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.731 101.0 62.3 -75.5 -24.5 8.8 103.6 -10.4 33 41 A Y H X S+ 0 0 9 -4,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.880 110.3 40.6 -65.0 -39.3 11.2 100.7 -10.0 34 42 A T H X S+ 0 0 42 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.839 116.3 49.7 -75.0 -35.7 13.7 102.6 -12.3 35 43 A E H X S+ 0 0 71 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.726 108.9 51.1 -79.4 -23.8 13.0 106.0 -10.6 36 44 A W H X S+ 0 0 11 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.862 113.4 43.4 -80.2 -39.6 13.5 104.7 -7.0 37 45 A H H X S+ 0 0 5 -4,-1.1 4,-0.9 -5,-0.2 -2,-0.2 0.815 113.0 52.5 -75.5 -33.1 16.8 103.0 -7.6 38 46 A R H X S+ 0 0 83 -4,-1.4 4,-1.5 1,-0.2 3,-0.2 0.853 109.7 48.7 -69.6 -37.3 18.1 106.0 -9.7 39 47 A S H X S+ 0 0 24 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.628 104.8 60.9 -76.3 -16.5 17.2 108.4 -6.9 40 48 A Y H X S+ 0 0 4 -4,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.765 106.4 46.0 -76.4 -29.3 19.0 106.0 -4.5 41 49 A L H X S+ 0 0 26 -4,-0.9 4,-1.0 -3,-0.2 -2,-0.2 0.856 113.3 47.6 -78.9 -40.0 22.3 106.6 -6.4 42 50 A I H X S+ 0 0 52 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.859 114.7 46.3 -69.9 -37.5 21.9 110.4 -6.6 43 51 A T H X S+ 0 0 10 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.787 106.1 59.7 -75.0 -29.6 21.1 110.6 -2.9 44 52 A L H X S+ 0 0 1 -4,-0.9 4,-0.8 1,-0.2 8,-0.3 0.781 101.5 55.7 -66.6 -28.8 24.0 108.3 -2.1 45 53 A K H < S+ 0 0 27 -4,-1.0 -1,-0.2 2,-0.2 3,-0.2 0.863 104.5 52.2 -69.6 -39.1 26.3 110.9 -3.7 46 54 A K H < S+ 0 0 142 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.826 117.0 38.8 -64.9 -33.6 25.0 113.6 -1.4 47 55 A F H < S+ 0 0 87 -4,-1.3 2,-0.2 1,-0.3 -1,-0.2 0.508 129.0 19.0 -97.3 -7.5 25.7 111.5 1.7 48 56 A S X - 0 0 26 -4,-0.8 4,-0.8 -3,-0.2 -1,-0.3 -0.820 42.4-173.6-168.2 122.6 29.0 109.9 0.5 49 57 A R H > S+ 0 0 144 -2,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.794 97.1 49.2 -82.4 -33.5 31.6 110.8 -2.1 50 58 A R H > S+ 0 0 179 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.880 111.4 47.5 -73.2 -41.6 33.5 107.5 -1.4 51 59 A A H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.826 113.0 49.1 -70.4 -34.0 30.4 105.3 -1.7 52 60 A F H X S+ 0 0 11 -4,-0.8 4,-1.8 -8,-0.3 -1,-0.2 0.777 107.5 56.9 -72.5 -28.7 29.3 107.0 -4.9 53 61 A G H X S+ 0 0 19 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.843 110.0 42.1 -71.9 -36.0 32.8 106.5 -6.3 54 62 A K H X S+ 0 0 115 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.809 117.4 47.1 -79.2 -33.2 32.9 102.7 -5.9 55 63 A V H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.824 112.5 49.4 -76.8 -33.7 29.2 102.3 -7.1 56 64 A D H X S+ 0 0 23 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 113.6 43.2 -72.9 -45.9 29.7 104.5 -10.2 57 65 A K H X S+ 0 0 134 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.731 114.0 51.7 -75.1 -24.1 32.9 102.9 -11.5 58 66 A A H < S+ 0 0 32 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.833 107.7 52.8 -78.4 -36.8 31.6 99.4 -10.8 59 67 A M H >< S+ 0 0 35 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.917 112.4 44.4 -58.4 -47.6 28.4 100.1 -12.7 60 68 A R H 3< S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.620 112.6 51.8 -79.3 -15.2 30.3 101.3 -15.8 61 69 A S T 3< S+ 0 0 68 -4,-0.6 2,-0.3 -5,-0.1 -1,-0.3 0.113 82.0 128.1-104.9 19.4 32.8 98.4 -15.6 62 70 A S < - 0 0 8 -3,-1.1 -3,-0.1 -56,-0.1 -55,-0.0 -0.579 47.8-146.5 -79.6 136.7 30.0 95.8 -15.5 63 71 A F > - 0 0 130 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.614 24.5-109.7 -99.7 160.1 30.2 92.9 -18.0 64 72 A P H > S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.847 116.8 55.1 -55.2 -39.6 27.2 91.1 -19.7 65 73 A V H > S+ 0 0 25 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.880 107.7 48.9 -63.3 -40.5 27.9 87.9 -17.8 66 74 A M H > S+ 0 0 82 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.776 107.8 55.2 -70.0 -28.1 27.6 89.7 -14.4 67 75 A N H X S+ 0 0 1 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.737 104.2 53.9 -76.1 -25.3 24.4 91.4 -15.5 68 76 A Y H X S+ 0 0 6 -4,-1.2 4,-1.7 -3,-0.2 -2,-0.2 0.776 106.3 53.6 -75.1 -29.9 22.8 88.0 -16.3 69 77 A G H X S+ 0 0 6 -4,-1.0 4,-1.0 2,-0.2 -2,-0.2 0.779 108.6 48.3 -73.8 -29.8 23.7 86.9 -12.7 70 78 A T H X S+ 0 0 10 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.802 109.6 53.3 -77.8 -32.8 21.9 89.9 -11.2 71 79 A Y H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 5,-0.2 0.918 112.2 42.9 -67.0 -46.3 18.8 89.3 -13.4 72 80 A L H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.798 113.3 53.9 -69.7 -30.8 18.5 85.7 -12.2 73 81 A R H X S+ 0 0 30 -4,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.806 114.4 40.2 -72.3 -31.8 19.2 86.7 -8.6 74 82 A T H X S+ 0 0 1 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.911 119.5 40.6 -86.5 -48.3 16.5 89.3 -8.6 75 83 A V H X S+ 0 0 3 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.616 112.8 58.1 -77.8 -14.9 13.7 87.6 -10.4 76 84 A G H X S+ 0 0 1 -4,-0.8 4,-1.1 -5,-0.2 -1,-0.2 0.905 111.2 39.4 -77.3 -47.1 14.5 84.3 -8.7 77 85 A I H X S+ 0 0 1 -4,-0.9 4,-1.4 1,-0.2 -2,-0.2 0.839 117.1 52.3 -67.9 -34.6 13.9 85.7 -5.2 78 86 A D H X S+ 0 0 10 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.786 104.3 55.2 -74.2 -29.9 10.9 87.7 -6.5 79 87 A A H X S+ 0 0 28 -4,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.840 110.1 46.1 -71.8 -34.6 9.2 84.7 -8.0 80 88 A A H X S+ 0 0 9 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.818 114.7 48.2 -75.0 -33.8 9.3 82.8 -4.7 81 89 A I H X S+ 0 0 1 -4,-1.4 4,-1.7 1,-0.2 3,-0.4 0.936 110.5 49.1 -70.0 -48.8 8.1 85.9 -2.8 82 90 A L H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.728 106.1 56.0 -71.1 -25.7 5.1 86.7 -5.1 83 91 A E H X S+ 0 0 139 -4,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.854 112.0 44.1 -70.5 -36.5 3.8 83.2 -5.1 84 92 A F H X S+ 0 0 13 -4,-0.9 4,-1.0 -3,-0.4 -2,-0.2 0.794 112.2 51.6 -76.5 -31.6 3.6 83.2 -1.3 85 93 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.722 108.7 50.7 -80.6 -23.9 2.0 86.7 -1.1 86 94 A V H < S+ 0 0 43 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.879 113.5 44.1 -78.2 -41.6 -0.7 85.9 -3.6 87 95 A A H < S+ 0 0 78 -4,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.719 123.0 40.7 -73.4 -23.1 -1.8 82.8 -1.8 88 96 A N < - 0 0 42 -4,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.949 61.9-176.9-131.7 111.1 -1.6 84.6 1.6 89 97 A E S S+ 0 0 42 -2,-0.4 2,-1.0 1,-0.2 24,-0.3 0.889 77.8 58.8 -76.6 -40.9 -2.8 88.2 1.8 90 98 A K S S+ 0 0 133 24,-0.1 2,-0.3 22,-0.1 -1,-0.2 -0.783 77.2 143.0 -92.9 97.0 -1.8 88.9 5.4 91 99 A V E -a 114 0A 3 -2,-1.0 24,-2.2 22,-0.9 2,-0.4 -0.911 38.4-150.3-132.6 156.1 2.0 88.3 5.4 92 100 A Q E -ab 115 188A 7 95,-1.9 97,-1.5 -2,-0.3 2,-0.3 -0.989 13.6-153.1-130.5 124.5 5.0 89.8 7.1 93 101 A V E -ab 116 189A 0 22,-1.8 24,-1.0 -2,-0.4 2,-0.4 -0.726 6.2-165.4 -97.6 144.7 8.5 89.9 5.5 94 102 A V E -ab 117 190A 2 95,-2.6 2,-1.5 -2,-0.3 97,-1.2 -0.838 7.0-161.9-130.2 92.0 11.7 90.0 7.5 95 103 A N E > -ab 118 191A 0 22,-1.0 24,-1.8 -2,-0.4 3,-0.7 -0.596 10.2-159.0 -79.9 88.5 14.6 90.9 5.1 96 104 A L E 3 S+ab 119 192A 0 -2,-1.5 97,-0.6 95,-1.1 24,-0.1 -0.529 77.7 7.7 -68.7 129.3 17.7 89.7 7.1 97 105 A G T 3 S+ 0 0 10 22,-1.3 -1,-0.3 -2,-0.3 23,-0.2 0.958 81.3 168.7 61.4 55.4 20.8 91.6 5.8 98 106 A C X + 0 0 8 21,-1.6 3,-0.6 -3,-0.7 2,-0.4 0.914 3.3 169.5 -68.0 -47.6 18.8 93.9 3.6 99 107 A G T 3 S- 0 0 3 1,-0.2 -1,-0.2 20,-0.1 -97,-0.1 -0.578 73.1 -15.7 70.9-124.6 21.5 96.4 2.6 100 108 A S T 3 S+ 0 0 13 -2,-0.4 2,-0.3 -99,-0.2 -1,-0.2 -0.070 93.0 146.9-102.9 31.2 20.4 98.7 -0.2 101 109 A D < + 0 0 5 -3,-0.6 3,-0.2 1,-0.1 -2,-0.1 -0.532 24.4 179.8 -74.5 129.0 17.4 96.5 -1.2 102 110 A L > + 0 0 1 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.084 48.2 110.8-120.1 31.6 14.4 98.4 -2.4 103 111 A R T 3> + 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.621 67.8 70.8 -79.6 -13.6 12.0 95.5 -3.2 104 112 A M H 3> S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.686 87.8 66.0 -72.5 -20.4 9.8 96.7 -0.2 105 113 A L H <> S+ 0 0 4 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.964 110.2 30.6 -68.8 -54.8 8.7 99.7 -2.2 106 114 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.811 119.7 55.8 -71.0 -30.3 6.7 97.9 -5.0 107 115 A L H X S+ 0 0 6 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.850 106.2 48.0 -73.8 -37.9 5.7 95.0 -2.7 108 116 A L H < S+ 0 0 15 -4,-1.6 6,-0.3 2,-0.2 -1,-0.2 0.870 114.2 49.2 -67.1 -38.2 4.1 97.2 0.0 109 117 A Q H < S+ 0 0 40 -4,-1.1 245,-2.0 -5,-0.2 246,-0.2 0.916 112.8 46.0 -64.2 -44.5 2.2 99.0 -2.8 110 118 A M H < S+ 0 0 28 -4,-2.0 -2,-0.2 243,-0.2 -1,-0.2 0.770 115.3 46.3 -74.8 -28.2 1.0 95.8 -4.5 111 119 A F >< - 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0 0 56 0, 0.0 4,-1.4 0, 0.0 5,-0.1 -0.088 18.2-110.3 -63.3 167.9 10.5 82.0 -20.2 288 296 A E H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.780 118.0 57.3 -70.5 -29.4 11.6 82.0 -23.9 289 297 A S H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.839 106.3 49.5 -68.3 -35.2 10.2 85.6 -24.3 290 298 A E H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.854 108.3 51.8 -72.9 -37.4 12.4 86.8 -21.4 291 299 A R H X S+ 0 0 58 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.800 107.5 53.2 -70.5 -30.7 15.6 85.2 -22.8 292 300 A K H X S+ 0 0 144 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.809 106.8 53.6 -70.2 -32.1 15.0 86.8 -26.2 293 301 A R H X S+ 0 0 72 -4,-1.0 4,-0.6 1,-0.2 -2,-0.2 0.855 106.8 49.6 -71.8 -37.7 14.7 90.2 -24.5 294 302 A L H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 3,-0.3 0.765 105.8 58.2 -72.8 -27.1 18.1 89.9 -22.7 295 303 A R H < S+ 0 0 120 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.803 101.5 56.0 -69.5 -31.0 19.8 88.9 -26.0 296 304 A S H < S+ 0 0 41 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.698 106.7 51.1 -74.2 -21.2 18.6 92.2 -27.5 297 305 A L H < S- 0 0 12 -4,-0.6 2,-0.3 -3,-0.3 -2,-0.2 0.965 120.7 -1.3 -80.2 -59.5 20.3 94.3 -24.8 298 306 A Q S < S- 0 0 5 -4,-1.5 2,-0.8 -234,-0.1 -1,-0.3 -0.905 71.6-102.8-135.5 160.3 23.9 92.9 -24.7 299 307 A F - 0 0 58 -2,-0.3 2,-1.3 -3,-0.1 3,-0.2 -0.757 23.6-162.6 -85.6 108.2 26.1 90.3 -26.4 300 308 A L + 0 0 38 -2,-0.8 3,-0.2 1,-0.2 -1,-0.0 -0.734 20.3 168.7 -86.9 87.1 26.5 87.2 -24.1 301 309 A D + 0 0 92 -2,-1.3 2,-0.8 1,-0.2 -1,-0.2 0.904 65.3 47.8 -68.6 -43.7 29.6 85.9 -25.9 302 310 A E > + 0 0 98 -3,-0.2 4,-0.8 1,-0.2 -1,-0.2 -0.808 56.0 164.7-108.1 92.2 30.6 83.3 -23.4 303 311 A L H > S+ 0 0 84 -2,-0.8 4,-1.1 -3,-0.2 -1,-0.2 0.759 80.5 56.6 -75.0 -27.3 27.5 81.2 -22.3 304 312 A E H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.807 103.1 54.4 -72.6 -32.2 29.8 78.6 -20.7 305 313 A E H > S+ 0 0 116 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.764 106.5 52.3 -70.6 -27.3 31.4 81.3 -18.5 306 314 A L H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.790 109.0 50.4 -74.0 -30.8 27.8 82.2 -17.4 307 315 A K H X S+ 0 0 82 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.834 107.7 52.1 -74.5 -35.2 27.3 78.5 -16.5 308 316 A V H < S+ 0 0 70 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.854 116.4 40.3 -70.2 -35.7 30.5 78.2 -14.5 309 317 A M H >< S+ 0 0 39 -4,-1.2 3,-0.8 1,-0.1 -2,-0.2 0.918 116.4 47.2 -76.1 -46.2 29.6 81.3 -12.4 310 318 A Q H >< S+ 0 0 4 -4,-2.0 -32,-1.3 1,-0.3 3,-0.9 0.646 102.1 61.4 -80.8 -18.1 25.9 80.6 -11.9 311 319 A T T 3< S+ 0 0 38 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.692 98.7 61.9 -74.5 -20.2 26.2 77.0 -10.9 312 320 A H T < S+ 0 0 13 -3,-0.8 -86,-1.3 -4,-0.3 2,-0.3 -0.044 99.8 65.8 -94.7 26.9 28.2 78.4 -8.0 313 321 A Y E < -F 225 0A 51 -3,-0.9 -35,-1.4 -88,-0.2 -34,-0.3 -0.969 67.8-170.8-138.2 155.2 25.2 80.3 -6.8 314 322 A I E -FG 224 277A 0 -90,-2.0 -90,-1.0 -2,-0.3 2,-0.3 -0.895 22.6-145.4-143.4 167.5 21.9 78.9 -5.4 315 323 A L E -FG 223 276A 4 -39,-1.1 -39,-1.2 -2,-0.3 2,-0.3 -0.871 20.6-167.7-141.3 103.0 18.3 79.6 -4.3 316 324 A M E -FG 222 275A 0 -94,-2.1 -94,-1.3 -2,-0.3 2,-0.3 -0.709 5.7-169.8 -95.5 141.4 16.9 77.6 -1.4 317 325 A K E +FG 221 274A 46 -43,-2.1 -43,-1.3 -2,-0.3 2,-0.3 -0.750 8.3 179.7-134.9 86.4 13.1 77.6 -0.5 318 326 A A E -FG 220 273A 0 -98,-1.5 -98,-1.6 -2,-0.3 2,-0.4 -0.627 5.5-170.4 -85.4 145.7 12.3 75.9 2.8 319 327 A Q E +FG 219 272A 61 -47,-1.1 -47,-1.2 -2,-0.3 2,-0.3 -0.984 6.8 174.7-143.7 128.0 8.7 75.8 3.9 320 328 A W E F 218 0A 22 -102,-0.8 -102,-1.6 -2,-0.4 -50,-0.1 -0.897 360.0 360.0-131.7 157.4 7.2 74.8 7.3 321 329 A H 0 0 177 -2,-0.3 -104,-0.2 -104,-0.2 -105,-0.1 -0.895 360.0 360.0-153.6 360.0 3.8 74.7 9.0 322 !* 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 0.0 323 4 B I 0 0 79 0, 0.0 4,-0.3 0, 0.0 253,-0.1 0.000 360.0 360.0 360.0 -15.7 -34.1 95.7 -24.5 324 5 B I > + 0 0 62 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.849 360.0 48.7 -70.0 -36.1 -31.1 93.5 -24.8 325 6 B Q G > S+ 0 0 57 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.705 102.6 63.7 -74.8 -21.5 -28.8 96.5 -24.2 326 7 B Q G > S+ 0 0 71 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.579 84.4 73.7 -80.3 -12.1 -31.0 97.4 -21.1 327 8 B T G <> S+ 0 0 18 -3,-0.7 4,-1.1 -4,-0.3 3,-0.4 0.668 86.3 66.5 -71.0 -18.4 -30.0 94.1 -19.3 328 9 B D H <> S+ 0 0 25 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.752 89.4 63.4 -70.8 -27.1 -26.6 95.8 -18.8 329 10 B Y H <> S+ 0 0 38 -3,-0.7 4,-0.9 -4,-0.2 -1,-0.2 0.746 102.2 50.5 -68.0 -25.1 -28.3 98.3 -16.5 330 11 B D H > S+ 0 0 82 -4,-0.4 4,-1.4 -3,-0.4 -1,-0.2 0.844 109.9 49.8 -74.1 -38.1 -29.1 95.4 -14.2 331 12 B A H X S+ 0 0 19 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.792 112.6 46.4 -69.9 -30.6 -25.5 94.3 -14.4 332 13 B L H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.735 108.7 55.6 -83.3 -26.5 -24.3 97.8 -13.5 333 14 B S H X S+ 0 0 5 -4,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.822 109.6 47.2 -71.7 -33.9 -26.8 98.1 -10.7 334 15 B C H X S+ 0 0 39 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.874 111.9 50.2 -71.6 -40.6 -25.4 94.9 -9.1 335 16 B K H X S+ 0 0 16 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.885 112.9 44.0 -67.9 -42.4 -21.8 96.1 -9.5 336 17 B L H X S+ 0 0 12 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.682 110.9 55.8 -78.3 -20.4 -22.4 99.5 -7.8 337 18 B A H X S+ 0 0 2 -4,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.769 108.8 47.4 -79.0 -29.3 -24.5 97.9 -5.1 338 19 B A H X>S+ 0 0 0 -4,-1.3 6,-1.2 2,-0.2 5,-1.0 0.841 112.2 49.1 -77.8 -36.6 -21.6 95.5 -4.2 339 20 B I H <5S+ 0 0 18 -4,-1.5 -2,-0.2 4,-0.2 -1,-0.1 0.826 110.0 51.7 -72.2 -33.5 -19.0 98.3 -4.2 340 21 B S H <5S+ 0 0 102 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 110.6 47.3 -71.2 -37.2 -21.2 100.6 -1.9 341 22 B V H <5S- 0 0 36 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.634 117.7-115.8 -78.6 -15.9 -21.7 97.8 0.6 342 23 B G T <5S+ 0 0 23 -4,-0.7 -3,-0.2 2,-0.3 -4,-0.1 0.268 82.4 121.1 101.9 -10.3 -17.9 97.1 0.5 343 24 B Y < + 0 0 0 -5,-1.0 -4,-0.2 -6,-0.2 -5,-0.1 0.870 65.3 79.6 -52.3 -43.2 -17.9 93.6 -0.9 344 25 B L + 0 0 1 -6,-1.2 -2,-0.3 1,-0.2 2,-0.1 -0.893 67.1 46.0-113.8 151.3 -15.9 94.9 -3.8 345 26 B P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.502 64.5-168.9 -83.2 146.5 -13.1 95.5 -4.4 346 27 B S > - 0 0 0 1,-0.1 4,-1.7 -2,-0.1 6,-0.3 -0.889 5.0-163.8 -93.2 111.5 -11.4 92.4 -3.0 347 28 B S T 4>S+ 0 0 23 -2,-0.7 5,-0.6 1,-0.2 4,-0.2 0.741 84.2 50.6 -69.1 -24.2 -7.7 93.2 -2.9 348 29 B G T 45S+ 0 0 23 3,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.962 116.8 32.4 -77.0 -56.7 -6.8 89.6 -2.4 349 30 B L T 45S+ 0 0 35 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.878 125.1 42.7 -74.4 -40.7 -8.7 87.8 -5.1 350 31 B Q T <5S- 0 0 7 -4,-1.7 -1,-0.2 2,-0.1 -3,-0.2 0.567 103.4-133.8 -79.6 -11.1 -8.6 90.5 -7.8 351 32 B R T 5 + 0 0 65 -5,-0.2 2,-0.3 1,-0.2 -3,-0.2 0.895 43.6 166.3 58.9 46.2 -4.9 91.2 -6.9 352 33 B L < - 0 0 4 -5,-0.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.683 30.0-131.1 -93.7 145.9 -5.3 95.0 -6.7 353 34 B S > - 0 0 12 -2,-0.3 4,-0.9 -242,-0.1 -243,-0.2 -0.004 35.5 -93.2 -77.0-171.5 -2.7 97.3 -5.2 354 35 B V H > S+ 0 0 54 -245,-2.0 4,-1.2 2,-0.2 -244,-0.1 0.861 128.4 41.7 -74.1 -37.6 -3.5 100.1 -2.7 355 36 B D H > S+ 0 0 78 -246,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.749 116.2 49.1 -80.0 -27.2 -3.8 102.7 -5.4 356 37 B L H > S+ 0 0 12 2,-0.2 4,-0.6 3,-0.2 -2,-0.2 0.608 108.6 52.4 -89.5 -15.9 -5.8 100.3 -7.7 357 38 B S H X S+ 0 0 21 -4,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.830 113.6 44.3 -80.7 -39.5 -8.2 99.3 -4.9 358 39 B K H X S+ 0 0 136 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.851 116.8 46.7 -67.1 -37.4 -8.9 103.0 -4.3 359 40 B K H X S+ 0 0 83 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.675 102.2 64.2 -81.6 -19.9 -9.2 103.6 -8.0 360 41 B Y H X S+ 0 0 9 -4,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.928 109.6 40.0 -65.8 -45.6 -11.4 100.6 -8.6 361 42 B T H X S+ 0 0 40 -4,-1.2 4,-1.5 1,-0.2 3,-0.3 0.955 115.6 51.1 -63.4 -51.2 -14.1 102.3 -6.4 362 43 B E H X S+ 0 0 71 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.720 107.1 52.8 -65.0 -26.8 -13.4 105.8 -7.8 363 44 B W H X S+ 0 0 11 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.866 111.0 46.4 -75.8 -38.8 -13.7 104.7 -11.5 364 45 B H H X S+ 0 0 3 -4,-1.2 4,-0.9 -3,-0.3 -2,-0.2 0.743 110.7 54.1 -73.7 -25.2 -17.1 103.0 -10.9 365 46 B R H X S+ 0 0 155 -4,-1.5 4,-1.6 1,-0.2 3,-0.2 0.876 109.2 46.9 -73.8 -40.2 -18.3 106.1 -8.9 366 47 B S H X S+ 0 0 24 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.603 106.6 59.9 -77.3 -14.2 -17.4 108.4 -11.9 367 48 B Y H X S+ 0 0 2 -4,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.788 107.5 44.8 -79.5 -31.8 -19.2 106.0 -14.2 368 49 B L H X S+ 0 0 24 -4,-0.9 4,-1.0 -3,-0.2 -2,-0.2 0.857 114.0 48.1 -77.8 -39.6 -22.5 106.5 -12.4 369 50 B I H X S+ 0 0 104 -4,-1.6 4,-1.1 1,-0.2 3,-0.2 0.864 113.5 47.8 -68.9 -38.0 -22.2 110.3 -12.1 370 51 B T H X S+ 0 0 9 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.773 104.9 60.2 -73.6 -27.8 -21.3 110.5 -15.8 371 52 B L H X S+ 0 0 1 -4,-0.9 4,-0.9 1,-0.2 8,-0.3 0.790 103.0 52.5 -68.7 -29.2 -24.3 108.2 -16.7 372 53 B K H < S+ 0 0 105 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.849 105.6 54.1 -70.9 -37.7 -26.6 110.8 -15.1 373 54 B K H < S+ 0 0 140 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.796 116.6 37.6 -65.5 -30.5 -25.0 113.6 -17.2 374 55 B F H < S+ 0 0 86 -4,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.548 129.6 15.7 -99.8 -11.2 -25.8 111.6 -20.4 375 56 B S X - 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