==== 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 10-FEB-09 3G7U . COMPND 2 MOLECULE: CYTOSINE-SPECIFIC METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7 EDL933; . AUTHOR Y.PATSKOVSKY,U.A.RAMAGOPAL,R.TORO,M.GILMORE,M.IIZUKA,J.M.SAU . 348 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 0 1 4 2 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 0 A S 0 0 117 0, 0.0 2,-0.5 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 105.2 17.1 68.1 -1.0 2 1 A L - 0 0 26 20,-0.5 22,-3.0 70,-0.0 2,-0.4 -0.957 360.0-147.7-100.0 127.5 13.5 67.2 -2.0 3 2 A N E -a 24 0A 11 -2,-0.5 70,-2.4 20,-0.2 69,-1.1 -0.811 16.8-175.3-107.5 135.1 11.2 68.1 1.0 4 3 A V E -ab 25 73A 1 20,-2.8 22,-2.8 -2,-0.4 23,-0.9 -0.906 16.8-152.3-124.4 154.3 8.0 66.5 2.1 5 4 A I E -ab 27 74A 2 68,-1.6 70,-2.5 -2,-0.3 2,-0.6 -0.983 17.4-146.1-112.4 135.4 5.4 67.1 4.8 6 5 A D E > -ab 28 75A 2 21,-2.6 23,-2.9 -2,-0.4 3,-0.5 -0.915 11.9-161.0-108.1 108.5 3.5 64.0 6.1 7 6 A L E 3 S+ab 29 76A 2 68,-2.7 70,-1.4 -2,-0.6 23,-0.1 -0.773 78.8 9.9 -87.9 136.0 -0.1 64.7 7.0 8 7 A F T 3 S+ 0 0 39 21,-1.6 -1,-0.3 -2,-0.4 69,-0.2 0.951 85.8 170.1 60.9 52.5 -1.9 62.2 9.3 9 8 A S X - 0 0 8 20,-1.9 3,-1.2 -3,-0.5 4,-0.4 0.704 12.5-171.9 -73.6 -23.1 1.5 60.7 9.7 10 9 A G T 3 S- 0 0 18 1,-0.2 -1,-0.2 19,-0.2 29,-0.1 -0.316 70.8 -28.6 52.2-141.7 0.8 58.3 12.6 11 10 A V T 3 S- 0 0 2 316,-0.3 -1,-0.2 27,-0.1 31,-0.2 0.665 103.1 -91.1 -81.7 -12.5 4.2 56.8 13.8 12 11 A G S <> S+ 0 0 0 -3,-1.2 4,-2.5 3,-0.1 5,-0.2 0.735 73.9 141.7 114.7 30.7 5.8 57.2 10.4 13 12 A G H > S+ 0 0 1 -4,-0.4 4,-1.8 2,-0.2 5,-0.1 0.955 90.9 37.8 -55.4 -51.6 5.5 54.1 8.2 14 13 A L H > S+ 0 0 7 -5,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.876 115.0 56.5 -71.4 -35.1 5.0 56.4 5.1 15 14 A S H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.897 106.4 48.6 -58.8 -43.5 7.6 58.8 6.5 16 15 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.909 110.3 52.2 -67.9 -39.6 10.2 56.1 6.7 17 16 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.934 111.8 46.7 -56.6 -45.7 9.4 55.1 3.2 18 17 A A H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.5 0.932 113.0 48.0 -63.2 -46.4 9.9 58.7 2.1 19 18 A A H ><5S+ 0 0 11 -4,-2.8 3,-1.0 1,-0.2 210,-0.2 0.894 112.0 48.4 -65.7 -41.0 13.2 59.1 4.0 20 19 A R H 3<5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 107.0 57.9 -68.1 -31.7 14.6 55.9 2.6 21 20 A A H 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.573 129.0 -96.1 -73.5 -11.3 13.6 57.0 -0.9 22 21 A G T <<5S+ 0 0 32 -3,-1.0 -20,-0.5 -4,-0.5 -3,-0.2 0.301 81.6 129.1 113.8 -5.4 15.7 60.1 -0.5 23 22 A F < - 0 0 8 -5,-2.1 2,-0.6 -6,-0.2 -1,-0.4 -0.394 57.6-126.7 -77.2 153.3 13.2 62.8 0.6 24 23 A D E -a 3 0A 44 -22,-3.0 -20,-2.8 -2,-0.1 2,-1.0 -0.924 17.7-144.9 -98.0 119.6 13.7 64.9 3.7 25 24 A V E +a 4 0A 6 -2,-0.6 -20,-0.2 -22,-0.2 3,-0.1 -0.759 26.3 174.2 -87.6 102.5 10.6 64.6 5.9 26 25 A K E + 0 0 55 -22,-2.8 21,-2.8 -2,-1.0 2,-0.3 0.773 59.2 12.4 -86.0 -24.6 10.5 68.2 7.2 27 26 A M E -ac 5 47A 0 -23,-0.9 -21,-2.6 19,-0.3 2,-0.4 -0.989 56.1-159.6-154.4 137.2 7.3 68.1 9.2 28 27 A A E -ac 6 48A 0 19,-2.6 21,-2.6 -2,-0.3 2,-0.5 -0.982 9.3-160.7-116.9 135.7 4.8 65.4 10.4 29 28 A V E +ac 7 49A 2 -23,-2.9 -20,-1.9 -2,-0.4 -21,-1.6 -0.972 25.0 151.6-116.1 121.1 1.2 66.4 11.3 30 29 A E - 0 0 24 19,-1.9 22,-0.1 -2,-0.5 6,-0.1 -0.952 35.5-155.5-152.3 127.7 -0.6 64.0 13.6 31 30 A I S S+ 0 0 100 -2,-0.3 2,-0.5 19,-0.2 21,-0.1 0.787 71.9 89.4 -72.1 -30.2 -3.4 64.5 16.1 32 31 A D > - 0 0 68 1,-0.2 4,-2.9 19,-0.1 5,-0.3 -0.580 66.8-150.4 -81.5 126.2 -2.8 61.5 18.3 33 32 A Q H > S+ 0 0 103 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.890 95.1 46.5 -62.2 -42.4 -0.3 62.2 21.1 34 33 A H H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 114.1 47.9 -66.5 -43.1 1.1 58.7 21.3 35 34 A A H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 115.2 44.4 -61.8 -48.7 1.5 58.4 17.6 36 35 A I H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.868 110.5 53.8 -71.7 -31.3 3.2 61.7 17.2 37 36 A N H X S+ 0 0 85 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.920 110.9 48.0 -62.7 -40.9 5.4 61.2 20.2 38 37 A T H X S+ 0 0 8 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.903 108.0 53.9 -66.1 -36.6 6.5 58.0 18.6 39 38 A H H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.954 108.7 50.4 -60.2 -44.9 7.1 59.7 15.3 40 39 A A H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 105.7 55.8 -65.5 -31.4 9.4 62.2 17.1 41 40 A I H < S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 117.6 34.2 -64.0 -39.3 11.4 59.4 18.7 42 41 A N H < S+ 0 0 0 -4,-1.7 190,-3.0 -3,-0.3 -2,-0.2 0.703 128.6 36.7 -91.9 -21.5 12.2 57.9 15.3 43 42 A F >< + 0 0 1 -4,-2.5 3,-1.7 -5,-0.2 -1,-0.2 -0.549 67.4 164.2-126.9 65.9 12.4 61.2 13.4 44 43 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 187,-0.1 0.674 73.9 52.0 -65.8 -13.4 14.0 63.6 15.9 45 44 A R T 3 S+ 0 0 162 185,-0.6 2,-0.2 -3,-0.1 186,-0.1 0.481 89.1 92.4-100.9 -4.1 14.9 66.2 13.2 46 45 A S S < S- 0 0 15 -3,-1.7 -19,-0.3 -7,-0.1 2,-0.2 -0.596 83.8-112.2 -80.2 152.1 11.4 66.5 11.6 47 46 A L E -c 27 0A 76 -21,-2.8 -19,-2.6 -2,-0.2 2,-0.5 -0.605 30.6-147.2 -77.7 146.6 9.1 69.2 13.0 48 47 A H E -c 28 0A 57 -2,-0.2 2,-0.6 -21,-0.2 -19,-0.2 -0.978 16.2-177.2-124.3 122.8 6.1 67.8 14.8 49 48 A V E -c 29 0A 24 -21,-2.6 -19,-1.9 -2,-0.5 2,-1.1 -0.969 12.8-158.8-121.4 111.0 2.8 69.5 14.8 50 49 A Q + 0 0 96 -2,-0.6 2,-0.3 -21,-0.2 -19,-0.2 -0.776 48.0 128.1 -89.5 94.8 0.0 67.8 16.9 51 50 A E - 0 0 63 -2,-1.1 2,-0.5 -19,-0.1 -19,-0.1 -0.989 68.1-107.5-154.9 148.2 -2.9 69.3 15.1 52 51 A D > - 0 0 61 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.726 33.0-138.4 -70.3 121.8 -6.2 68.9 13.4 53 52 A V G > S+ 0 0 2 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.740 98.9 73.0 -61.7 -22.8 -5.5 69.5 9.7 54 53 A S G 3 S+ 0 0 46 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.728 93.2 54.5 -63.2 -19.2 -8.8 71.4 9.6 55 54 A L G < S+ 0 0 111 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.239 99.1 87.3 -96.7 6.7 -7.1 74.2 11.6 56 55 A L < + 0 0 4 -3,-1.8 2,-0.3 4,-0.1 3,-0.0 -0.799 44.8 165.1-110.2 151.1 -4.3 74.5 8.9 57 56 A N > - 0 0 57 -2,-0.3 4,-2.6 42,-0.0 5,-0.2 -0.909 52.9 -90.1-148.8 175.3 -3.8 76.3 5.7 58 57 A A H > S+ 0 0 9 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.875 123.8 48.9 -58.5 -40.4 -0.8 77.1 3.5 59 58 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 111.1 49.3 -69.3 -37.8 -0.0 80.4 5.3 60 59 A I H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.948 112.6 49.2 -64.8 -47.0 -0.1 78.9 8.7 61 60 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.908 109.9 48.9 -59.8 -43.4 2.1 76.1 7.5 62 61 A K H X S+ 0 0 83 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.887 108.5 57.4 -62.7 -35.3 4.6 78.5 6.0 63 62 A G H < S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.828 101.0 55.5 -60.1 -37.6 4.5 80.3 9.3 64 63 A F H < S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.0 39.8 -62.9 -41.2 5.5 77.2 11.2 65 64 A F H < S- 0 0 15 -4,-1.4 -2,-0.2 4,-0.1 -1,-0.2 0.817 83.3-167.0 -76.5 -36.1 8.6 76.9 9.0 66 65 A K < + 0 0 181 -4,-2.3 -3,-0.1 -5,-0.1 -4,-0.1 0.431 68.0 82.0 66.0 3.1 9.4 80.6 8.9 67 66 A N S S- 0 0 92 -5,-0.3 -1,-0.1 2,-0.0 -4,-0.1 -0.046 106.5-105.0-134.3 30.1 11.9 80.1 6.1 68 67 A D - 0 0 148 -6,-0.3 -6,-0.1 1,-0.2 -5,-0.1 0.817 50.4-161.6 46.2 37.5 9.9 80.0 2.9 69 68 A M - 0 0 31 -7,-0.2 2,-0.5 1,-0.1 -1,-0.2 -0.269 16.1-126.4 -48.1 121.9 10.5 76.1 2.9 70 69 A P - 0 0 76 0, 0.0 2,-0.9 0, 0.0 -67,-0.2 -0.676 18.6-150.6 -71.0 123.5 9.9 74.7 -0.6 71 70 A I + 0 0 20 -2,-0.5 35,-0.4 32,-0.2 -67,-0.1 -0.875 22.1 173.1-100.2 99.5 7.3 71.9 -0.1 72 71 A D + 0 0 23 -69,-1.1 35,-1.8 -2,-0.9 34,-0.8 0.876 65.1 20.1 -78.5 -35.1 8.2 69.6 -2.9 73 72 A G E -bd 4 107A 0 -70,-2.4 -68,-1.6 33,-0.2 2,-0.5 -0.991 54.7-160.0-137.0 141.0 5.8 66.8 -1.8 74 73 A I E +bd 5 108A 0 33,-1.9 35,-2.1 -2,-0.4 2,-0.3 -0.992 27.1 171.8-111.0 120.0 2.7 66.5 0.4 75 74 A I E +bd 6 109A 0 -70,-2.5 -68,-2.7 -2,-0.5 2,-0.3 -0.849 13.3 111.5-121.3 155.5 2.2 62.8 1.5 76 75 A G E -bd 7 110A 0 33,-1.7 35,-2.0 -2,-0.3 -68,-0.2 -0.958 61.6 -84.6 169.5-175.8 -0.2 61.3 3.9 77 76 A G - 0 0 12 -70,-1.4 35,-0.1 -2,-0.3 33,-0.1 -0.758 36.3-157.0-118.5 85.7 -3.2 59.2 4.8 78 77 A P - 0 0 3 0, 0.0 15,-0.1 0, 0.0 -2,-0.1 -0.381 24.6-121.1 -63.7 133.0 -6.4 61.3 4.5 79 78 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 14,-0.1 -0.281 30.3-171.1 -71.9 160.9 -9.1 59.7 6.7 80 79 A C - 0 0 22 1,-0.1 3,-0.1 12,-0.1 10,-0.1 -0.980 35.8-123.5-150.6 144.1 -12.3 58.5 5.2 81 80 A Q > + 0 0 40 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.882 58.7 160.3 -53.3 -42.1 -15.6 57.3 6.7 82 81 A G T 3 - 0 0 9 1,-0.3 33,-0.2 33,-0.1 -1,-0.2 -0.256 64.3 -10.7 64.8-135.2 -15.0 54.1 4.6 83 82 A F T 3 0 0 152 31,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.427 360.0 360.0 -79.9 -0.2 -16.8 50.9 5.7 84 83 A S < 0 0 84 -3,-1.7 31,-0.0 2,-0.1 -3,-0.0 -0.605 360.0 360.0 -75.2 360.0 -18.0 52.5 9.0 85 ! 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 86 91 A D > 0 0 123 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -40.8 -18.3 59.0 10.8 87 92 A D H > + 0 0 98 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.776 360.0 61.2 -73.9 -36.4 -18.7 62.5 9.2 88 93 A S H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.788 96.8 61.0 -67.2 -29.5 -15.6 64.4 10.4 89 94 A R H > S+ 0 0 73 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.886 103.0 51.6 -62.6 -40.0 -13.3 61.9 8.6 90 95 A N H X S+ 0 0 20 -4,-0.6 4,-1.3 -3,-0.3 -2,-0.2 0.827 109.4 50.0 -65.0 -35.0 -14.9 62.9 5.3 91 96 A Q H X S+ 0 0 107 -4,-1.2 4,-1.6 2,-0.2 3,-0.3 0.934 109.4 51.5 -64.3 -46.5 -14.2 66.6 6.2 92 97 A L H X S+ 0 0 34 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.841 103.7 58.8 -59.9 -35.0 -10.6 65.7 6.9 93 98 A Y H X S+ 0 0 6 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.929 106.9 46.7 -54.1 -49.8 -10.3 63.9 3.6 94 99 A M H X S+ 0 0 22 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.814 106.4 58.9 -66.1 -32.4 -11.2 67.2 1.8 95 100 A H H X S+ 0 0 45 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.812 99.6 57.8 -67.3 -33.7 -8.7 69.2 3.9 96 101 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.947 112.0 40.6 -55.8 -51.6 -5.9 67.0 2.7 97 102 A Y H X S+ 0 0 10 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.821 110.8 57.4 -73.6 -29.3 -6.7 68.0 -0.8 98 103 A R H X S+ 0 0 52 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.932 108.0 48.8 -60.8 -45.6 -7.4 71.6 0.1 99 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.876 109.3 51.1 -63.7 -40.1 -3.8 71.8 1.5 100 105 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.924 112.5 47.2 -59.3 -43.3 -2.4 70.3 -1.6 101 106 A S H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.1 44.0 -65.3 -44.8 -4.3 72.9 -3.7 102 107 A E H < S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 120.0 40.5 -69.6 -39.7 -3.1 75.8 -1.4 103 108 A L H < S- 0 0 21 -4,-2.6 -32,-0.2 -5,-0.2 -1,-0.2 0.709 88.4-151.2 -87.1 -19.6 0.5 74.7 -1.1 104 109 A Q < - 0 0 55 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.902 20.5-172.4 49.8 55.7 1.1 73.6 -4.7 105 110 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 -32,-0.2 -0.306 38.2-109.9 -69.5 165.3 3.7 70.9 -4.1 106 111 A L S S- 0 0 44 -34,-0.8 58,-2.8 -35,-0.4 2,-0.3 0.839 99.0 -2.2 -60.0 -33.4 5.6 69.2 -7.0 107 112 A F E -dE 73 163A 0 -35,-1.8 -33,-1.9 56,-0.2 2,-0.3 -0.980 60.7-148.9-150.5 161.1 3.6 66.1 -6.1 108 113 A F E -dE 74 162A 2 54,-2.0 54,-2.0 -2,-0.3 2,-0.4 -0.971 7.5-170.3-125.6 151.9 1.1 64.6 -3.7 109 114 A L E -dE 75 161A 0 -35,-2.1 -33,-1.7 -2,-0.3 2,-0.4 -0.940 6.6-178.1-136.7 121.7 0.8 61.0 -2.5 110 115 A A E -dE 76 160A 0 50,-2.7 50,-3.0 -2,-0.4 2,-0.4 -0.918 9.3-158.1-114.0 142.0 -2.3 59.9 -0.5 111 116 A E E + E 0 159A 21 -35,-2.0 2,-0.3 -2,-0.4 48,-0.2 -0.953 14.9 174.4-117.0 140.6 -2.7 56.4 0.8 112 117 A N E - E 0 158A 8 46,-2.2 46,-3.1 -2,-0.4 3,-0.1 -0.986 26.4-125.3-140.8 152.8 -6.1 54.9 1.7 113 118 A V > - 0 0 78 -2,-0.3 3,-1.3 44,-0.2 44,-0.1 -0.595 53.9 -71.7 -86.1 159.3 -7.4 51.5 2.9 114 119 A P T 3 S+ 0 0 43 0, 0.0 -31,-0.3 0, 0.0 -1,-0.1 -0.201 114.5 66.5 -47.8 142.4 -10.2 49.7 1.0 115 120 A G T > S+ 0 0 6 -33,-0.2 3,-1.2 -3,-0.1 -33,-0.1 -0.159 76.6 91.1 127.5 -33.6 -13.5 51.5 1.6 116 121 A I T < S+ 0 0 2 -3,-1.3 9,-0.1 1,-0.2 5,-0.1 0.844 76.7 60.8 -62.7 -34.8 -12.4 54.6 -0.2 117 122 A M T 3 S+ 0 0 61 3,-0.1 -1,-0.2 8,-0.0 5,-0.1 0.459 75.6 129.6 -82.3 4.1 -13.8 53.6 -3.7 118 123 A Q X - 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0 0 2 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.1 -0.642 51.8-114.2 -85.8 145.5 9.4 48.0 10.0 312 329 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -89,-0.2 -0.423 22.8-114.2 -74.9 157.3 13.1 47.7 10.7 313 330 A D T 3 S+ 0 0 2 -90,-2.2 -67,-0.5 1,-0.3 -89,-0.1 0.720 114.2 60.8 -61.0 -22.5 14.3 46.4 14.1 314 331 A W T 3 S+ 0 0 1 -91,-0.6 -81,-0.5 -89,-0.1 2,-0.3 0.533 78.5 104.3 -83.6 -6.1 15.7 49.8 15.0 315 332 A F < - 0 0 0 -3,-1.7 2,-0.5 -83,-0.1 -69,-0.1 -0.590 66.3-144.4 -76.6 132.2 12.3 51.5 14.8 316 333 A R - 0 0 37 -2,-0.3 2,-0.2 -278,-0.2 -274,-0.1 -0.861 17.0-171.0-109.2 128.2 11.1 52.2 18.3 317 334 A F - 0 0 15 -2,-0.5 7,-0.1 1,-0.2 -70,-0.1 -0.542 40.6 -66.7-106.9 174.5 7.4 51.9 19.3 318 335 A H - 0 0 51 -2,-0.2 6,-0.2 1,-0.1 -1,-0.2 -0.289 49.1-118.0 -55.2 148.9 5.4 52.9 22.4 319 336 A V S S+ 0 0 40 -115,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.798 89.5 78.2 -62.6 -32.8 6.3 50.7 25.4 320 337 A T S > S- 0 0 22 1,-0.1 4,-2.4 -116,-0.1 5,-0.2 -0.539 75.6-136.3 -86.0 148.0 2.9 49.1 25.9 321 338 A K H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.882 104.2 59.5 -62.1 -43.2 1.5 46.3 23.7 322 339 A W H > S+ 0 0 120 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 113.7 34.4 -51.5 -52.9 -1.8 48.0 23.5 323 340 A H H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.919 115.7 53.7 -74.6 -43.1 -0.4 51.1 21.8 324 341 A S H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.903 107.4 51.3 -62.9 -40.3 2.4 49.6 19.8 325 342 A F H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.891 112.3 46.8 -63.9 -41.4 -0.0 47.1 18.1 326 343 A R H X S+ 0 0 125 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.936 111.9 51.0 -60.7 -47.0 -2.3 50.0 17.1 327 344 A Q H < S+ 0 0 13 -4,-2.8 -316,-0.3 1,-0.2 -2,-0.2 0.901 114.9 43.4 -57.9 -44.3 0.7 52.0 15.9 328 345 A I H >< S+ 0 0 1 -4,-2.7 3,-1.7 -5,-0.2 -2,-0.2 0.950 114.0 48.7 -64.0 -53.6 1.9 49.1 13.7 329 346 A G H 3< S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 108.9 54.6 -56.8 -38.0 -1.6 48.2 12.4 330 347 A N T 3< S+ 0 0 121 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.3 0.349 95.2 95.6 -75.3 1.3 -2.3 51.8 11.4 331 348 A S S < S- 0 0 7 -3,-1.7 2,-0.3 -5,-0.1 -321,-0.1 -0.700 74.6-124.1-101.0 149.6 0.8 52.1 9.3 332 349 A V - 0 0 5 -2,-0.3 -315,-0.1 1,-0.1 -2,-0.1 -0.667 50.6 -96.6 -69.7 142.1 1.6 51.8 5.7 333 350 A S > - 0 0 3 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.476 26.7-139.5 -58.7 127.4 4.4 49.2 5.4 334 351 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.767 102.2 56.7 -59.0 -28.9 7.7 51.1 5.1 335 352 A I H > S+ 0 0 11 -26,-0.3 4,-1.8 2,-0.2 5,-0.1 0.945 111.2 41.0 -68.8 -47.9 8.9 48.6 2.5 336 353 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.943 115.7 51.8 -60.6 -49.5 5.9 49.3 0.2 337 354 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.913 108.7 50.9 -55.7 -44.8 6.1 53.1 1.0 338 355 A E H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 109.7 50.1 -60.6 -44.4 9.9 53.2 0.1 339 356 A Y H X S+ 0 0 56 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.934 114.8 41.1 -60.5 -52.4 9.3 51.5 -3.3 340 357 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.902 116.8 48.2 -61.9 -48.5 6.5 53.8 -4.4 341 358 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.805 104.8 59.4 -66.4 -30.3 8.2 57.0 -3.1 342 359 A K H X S+ 0 0 77 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.862 101.4 56.6 -66.7 -32.5 11.6 56.0 -4.8 343 360 A G H X S+ 0 0 5 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.931 110.0 43.9 -58.9 -48.2 9.7 56.0 -8.1 344 361 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.870 111.9 52.5 -65.2 -39.9 8.6 59.6 -7.5 345 362 A Y H X S+ 0 0 51 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.926 109.4 49.9 -62.9 -46.0 12.1 60.7 -6.2 346 363 A N H >< S+ 0 0 84 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.893 108.6 52.9 -59.1 -42.4 13.7 59.3 -9.4 347 364 A L H >< S+ 0 0 7 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.862 107.7 51.0 -56.7 -40.6 11.2 61.1 -11.6 348 365 A L H 3< S+ 0 0 32 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.511 105.1 57.7 -85.3 -1.6 12.0 64.4 -9.9 349 366 A N T << 0 0 94 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.445 360.0 360.0-104.2 -3.3 15.7 64.0 -10.4 350 367 A E < 0 0 174 -3,-0.8 -3,-0.0 -4,-0.4 0, 0.0 -0.344 360.0 360.0 -64.7 360.0 15.7 63.7 -14.2