==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 01-FEB-08 2ZH3 . COMPND 2 MOLECULE: CCA-ADDING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR Y.TOH,K.TOMITA . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 4 0.9 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 2 0 3 1 1 0 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A M 0 0 157 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 2.1 18.3 7.4 7.3 2 2 A K >> - 0 0 95 246,-0.1 4,-2.0 1,-0.1 3,-0.9 -0.740 360.0 -91.1-111.3 162.6 15.1 5.4 7.5 3 3 A V H 3> S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.849 124.2 47.4 -34.5 -66.6 12.3 5.5 10.1 4 4 A E H 3> S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.846 111.8 53.8 -48.0 -40.8 13.7 2.9 12.5 5 5 A E H <> S+ 0 0 83 -3,-0.9 4,-1.7 2,-0.2 3,-0.4 0.963 110.2 44.4 -60.0 -56.2 17.1 4.5 12.3 6 6 A I H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.878 110.2 56.0 -58.2 -41.7 15.8 8.0 13.3 7 7 A L H X S+ 0 0 22 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.855 103.7 53.7 -63.7 -34.4 13.7 6.6 16.1 8 8 A E H X S+ 0 0 134 -4,-1.7 4,-0.7 -3,-0.4 3,-0.3 0.961 114.1 41.9 -63.1 -48.0 16.7 4.9 17.7 9 9 A K H >< S+ 0 0 96 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.826 109.9 60.2 -66.3 -32.2 18.6 8.2 17.7 10 10 A A H >X S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.2 4,-0.9 0.860 91.6 65.1 -65.4 -37.9 15.4 10.0 18.8 11 11 A L H >X S+ 0 0 39 -4,-1.8 4,-2.9 1,-0.3 3,-0.8 0.855 92.4 65.9 -51.7 -35.9 15.1 7.9 22.0 12 12 A E H << S+ 0 0 162 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.639 104.4 43.8 -62.1 -16.4 18.3 9.7 23.0 13 13 A L H <4 S+ 0 0 72 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.584 121.8 34.7-105.1 -14.6 16.4 13.0 23.1 14 14 A V H << S+ 0 0 3 -4,-0.9 41,-3.0 -3,-0.8 -2,-0.2 0.730 96.5 82.8-110.2 -32.8 13.3 11.9 24.9 15 15 A I S < S- 0 0 48 -4,-2.9 39,-0.1 -5,-0.2 2,-0.1 -0.623 83.0-116.4 -80.8 129.0 14.3 9.2 27.4 16 16 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.371 29.9-121.2 -62.2 137.2 15.7 10.5 30.7 17 17 A D >> - 0 0 79 1,-0.1 4,-1.9 -5,-0.1 3,-1.8 -0.413 33.4 -95.9 -77.1 158.7 19.4 9.6 31.3 18 18 A E H 3> S+ 0 0 157 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.780 122.8 59.4 -42.5 -40.2 20.3 7.6 34.5 19 19 A E H 3> S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.826 109.3 43.3 -62.3 -34.5 21.2 10.7 36.5 20 20 A E H <> S+ 0 0 31 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.837 116.6 48.3 -79.8 -34.4 17.6 12.1 36.0 21 21 A V H X S+ 0 0 43 -4,-1.9 4,-3.2 2,-0.2 3,-0.3 0.971 113.7 44.7 -67.8 -55.7 16.1 8.7 36.7 22 22 A R H X S+ 0 0 119 -4,-3.8 4,-3.8 1,-0.2 5,-0.3 0.940 110.9 55.5 -52.7 -50.6 18.2 8.1 39.9 23 23 A K H X S+ 0 0 102 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.878 113.0 42.1 -50.0 -42.7 17.5 11.6 41.0 24 24 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.900 113.1 51.6 -73.6 -42.4 13.8 10.9 40.7 25 25 A R H X S+ 0 0 95 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.940 109.3 51.7 -59.3 -46.6 14.0 7.5 42.2 26 26 A E H X S+ 0 0 84 -4,-3.8 4,-2.1 1,-0.2 -1,-0.2 0.853 111.8 45.8 -60.5 -35.9 15.9 8.9 45.2 27 27 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.859 110.2 53.4 -75.2 -36.7 13.2 11.6 45.8 28 28 A E H X S+ 0 0 35 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.933 110.3 48.6 -62.3 -45.0 10.4 9.0 45.4 29 29 A E H X S+ 0 0 87 -4,-2.6 4,-2.4 2,-0.2 3,-0.3 0.975 114.3 43.9 -58.5 -56.5 12.0 6.9 48.1 30 30 A E H X S+ 0 0 46 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.859 112.7 54.2 -58.0 -35.1 12.5 9.8 50.5 31 31 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.879 108.0 48.9 -67.4 -37.1 9.0 11.0 49.7 32 32 A R H X S+ 0 0 78 -4,-2.3 4,-3.1 -3,-0.3 5,-0.3 0.968 110.1 50.9 -64.8 -53.0 7.5 7.6 50.6 33 33 A R H X S+ 0 0 143 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.879 111.5 47.8 -51.9 -45.2 9.4 7.4 53.9 34 34 A R H < S+ 0 0 58 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.889 114.6 45.6 -65.6 -41.1 8.2 10.9 54.9 35 35 A L H ><>S+ 0 0 3 -4,-1.9 5,-2.1 1,-0.2 3,-0.9 0.871 112.6 50.6 -69.6 -38.8 4.6 10.1 54.0 36 36 A D H ><5S+ 0 0 91 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.829 99.1 65.1 -69.3 -31.4 4.7 6.7 55.8 37 37 A E T 3<5S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.676 109.7 39.6 -66.0 -14.2 6.1 8.3 58.9 38 38 A L T < 5S- 0 0 93 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.308 113.4-123.7-111.6 3.4 2.8 10.1 59.2 39 39 A G T < 5 + 0 0 65 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.948 47.5 175.4 52.8 53.6 0.9 7.0 58.1 40 40 A V < - 0 0 26 -5,-2.1 2,-0.8 42,-0.0 -1,-0.2 -0.750 33.7-127.5 -95.3 136.8 -0.7 8.9 55.2 41 41 A E + 0 0 98 -2,-0.4 24,-1.5 24,-0.2 2,-0.3 -0.733 50.5 150.0 -84.3 111.0 -2.9 7.1 52.6 42 42 A Y E -A 64 0A 42 -2,-0.8 2,-0.3 22,-0.2 22,-0.2 -0.928 34.7-156.6-140.7 163.2 -1.4 8.1 49.2 43 43 A V E -A 63 0A 36 20,-2.3 20,-2.2 -2,-0.3 2,-0.3 -0.953 19.5-133.3-146.2 121.7 -0.9 7.0 45.6 44 44 A F E +A 62 0A 13 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.554 38.0 165.1 -71.8 131.0 1.7 8.1 43.1 45 45 A V E > +A 61 0A 2 16,-2.5 4,-0.9 -2,-0.3 16,-0.7 -0.654 22.9 58.9-132.4-169.8 0.2 8.9 39.7 46 46 A G H >> S- 0 0 13 84,-0.2 4,-1.4 -2,-0.2 3,-0.6 0.017 101.2 -43.3 77.2 175.9 1.1 10.7 36.5 47 47 A S H 34>S+ 0 0 31 1,-0.3 5,-3.1 2,-0.2 6,-1.2 0.716 134.5 56.5 -54.4 -24.9 3.9 10.1 34.0 48 48 A Y H >45S+ 0 0 3 -3,-0.4 3,-1.3 11,-0.3 -1,-0.3 0.920 103.3 52.3 -74.8 -42.7 6.4 9.7 36.8 49 49 A A H <<5S+ 0 0 33 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.839 118.9 37.5 -60.4 -31.9 4.5 6.8 38.4 50 50 A R T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.198 109.1-118.8-105.7 14.6 4.4 5.1 35.0 51 51 A N T < 5S+ 0 0 47 -3,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.887 81.7 116.7 51.1 46.6 7.9 6.0 33.7 52 52 A T < + 0 0 0 -5,-3.1 -4,-0.2 -6,-0.1 -5,-0.1 0.360 35.2 125.7-121.0 -0.3 6.5 7.9 30.7 53 53 A W - 0 0 4 -6,-1.2 2,-0.2 1,-0.1 5,-0.1 -0.330 64.4-111.1 -65.8 141.0 7.7 11.4 31.6 54 54 A L > - 0 0 11 3,-0.2 3,-2.4 1,-0.1 -39,-0.2 -0.459 41.6 -88.3 -75.1 141.2 9.7 13.2 29.0 55 55 A K T 3 S+ 0 0 82 -41,-3.0 -1,-0.1 1,-0.3 -40,-0.1 -0.227 115.9 21.9 -50.3 125.9 13.4 13.8 29.6 56 56 A G T 3 S+ 0 0 58 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.405 104.6 85.8 95.5 -1.7 13.8 17.1 31.4 57 57 A S < + 0 0 57 -3,-2.4 2,-0.4 2,-0.0 -3,-0.2 -0.181 51.8 160.2-123.3 39.9 10.3 17.2 32.9 58 58 A L + 0 0 22 -5,-0.1 50,-0.6 -10,-0.0 2,-0.3 -0.497 10.6 149.8 -66.1 120.8 10.8 15.1 36.0 59 59 A E E - b 0 108A 68 -2,-0.4 2,-0.4 48,-0.1 -11,-0.3 -0.934 35.8-140.0-154.6 128.2 7.9 15.9 38.3 60 60 A I E - b 0 109A 0 48,-2.6 50,-2.7 -2,-0.3 2,-0.6 -0.795 10.2-155.5 -96.6 132.5 6.4 13.6 40.9 61 61 A D E -Ab 45 110A 26 -16,-0.7 -16,-2.5 -2,-0.4 2,-0.5 -0.926 11.8-179.5-112.6 118.9 2.6 13.5 41.5 62 62 A V E -Ab 44 111A 1 48,-2.9 50,-2.4 -2,-0.6 2,-0.5 -0.959 8.8-162.8-118.4 113.3 1.3 12.3 44.8 63 63 A F E -Ab 43 112A 14 -20,-2.2 -20,-2.3 -2,-0.5 2,-0.6 -0.841 12.6-141.1 -98.9 131.1 -2.5 12.2 45.3 64 64 A L E -Ab 42 113A 0 48,-3.6 50,-2.6 -2,-0.5 2,-0.3 -0.820 16.0-138.5 -94.0 119.6 -3.7 12.0 48.8 65 65 A L E - b 0 114A 31 -24,-1.5 -24,-0.2 -2,-0.6 50,-0.2 -0.564 22.4-174.4 -80.6 138.5 -6.8 9.7 49.2 66 66 A F E - b 0 115A 16 48,-0.8 50,-2.3 -2,-0.3 9,-0.0 -0.992 32.8 -93.0-135.4 141.5 -9.6 10.9 51.5 67 67 A P > - 0 0 56 0, 0.0 3,-1.4 0, 0.0 50,-0.1 -0.132 36.9-117.4 -51.2 143.7 -12.8 9.2 52.6 68 68 A E T 3 S+ 0 0 85 48,-0.4 49,-0.1 1,-0.3 47,-0.0 0.843 111.2 58.8 -50.4 -38.8 -15.9 10.0 50.5 69 69 A E T 3 S+ 0 0 162 2,-0.0 -1,-0.3 46,-0.0 46,-0.0 0.704 77.5 111.7 -68.8 -23.9 -17.6 11.7 53.4 70 70 A F S < S- 0 0 76 -3,-1.4 2,-0.1 1,-0.1 -4,-0.1 -0.199 72.8-112.8 -55.9 141.0 -14.9 14.4 54.1 71 71 A S > - 0 0 49 1,-0.1 4,-1.9 4,-0.0 3,-0.4 -0.396 23.6-114.8 -71.4 150.5 -15.9 17.9 53.4 72 72 A K H > S+ 0 0 130 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.842 118.1 55.9 -56.8 -30.5 -14.2 19.7 50.5 73 73 A E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 102.7 52.1 -70.3 -40.0 -12.7 22.1 53.1 74 74 A E H >>S+ 0 0 72 -3,-0.4 4,-3.1 1,-0.2 5,-0.5 0.923 105.9 58.0 -61.3 -42.3 -11.2 19.3 55.3 75 75 A L H X5S+ 0 0 12 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.930 110.1 40.8 -52.6 -52.7 -9.5 18.0 52.1 76 76 A R H X5S+ 0 0 94 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.931 117.4 47.1 -66.7 -43.8 -7.7 21.2 51.4 77 77 A E H X5S+ 0 0 89 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.954 120.2 37.1 -62.8 -51.3 -6.7 21.9 55.1 78 78 A R H X5S+ 0 0 99 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.841 116.0 57.0 -68.6 -30.9 -5.4 18.4 55.8 79 79 A G H X S- D 0 107A 0 3,-1.1 3,-2.4 -2,-0.3 -73,-0.1 -0.851 76.7 -21.4-159.0 117.8 12.2 17.1 47.7 105 105 A K T 3 S- 0 0 96 1,-0.3 -78,-0.1 -2,-0.3 3,-0.1 0.886 130.0 -47.6 44.7 45.6 15.9 16.2 47.2 106 106 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -79,-0.1 -1,-0.3 0.242 114.7 106.5 87.1 -13.2 16.0 18.3 44.2 107 107 A V E < - D 0 104A 4 -3,-2.4 -3,-1.1 -84,-0.2 -1,-0.2 -0.839 69.8-110.6-112.0 143.3 12.8 17.3 42.3 108 108 A E E -bD 59 103A 82 -50,-0.6 -48,-2.6 -2,-0.4 2,-0.4 -0.321 35.9-166.6 -62.0 139.5 9.4 19.0 41.8 109 109 A V E -bD 60 102A 0 -7,-3.2 -7,-2.0 -50,-0.2 2,-0.5 -0.989 16.7-156.9-136.4 139.7 6.5 17.5 43.7 110 110 A D E -bD 61 101A 15 -50,-2.7 -48,-2.9 -2,-0.4 2,-0.7 -0.961 7.9-166.9-114.7 116.4 2.7 18.0 43.5 111 111 A V E +bD 62 100A 4 -11,-2.9 -11,-2.2 -2,-0.5 -48,-0.2 -0.917 18.1 177.1-105.0 110.3 0.7 17.0 46.6 112 112 A V E -b 63 0A 13 -50,-2.4 -48,-3.6 -2,-0.7 2,-0.4 -0.947 22.3-141.6-121.8 132.8 -3.0 16.9 45.6 113 113 A P E +b 64 0A 16 0, 0.0 2,-0.3 0, 0.0 -48,-0.2 -0.759 31.9 153.8 -94.5 134.7 -6.0 15.9 47.7 114 114 A C E -b 65 0A 1 -50,-2.6 -48,-0.8 -2,-0.4 2,-0.5 -0.864 45.5 -85.7-144.9 177.1 -8.8 13.9 46.2 115 115 A Y E -b 66 0A 24 -2,-0.3 2,-0.6 -50,-0.2 -50,-0.1 -0.801 32.3-129.5 -96.0 124.1 -11.6 11.4 47.2 116 116 A K + 0 0 110 -50,-2.3 -48,-0.4 -2,-0.5 2,-0.2 -0.583 52.3 151.6 -68.8 117.1 -10.8 7.7 47.5 117 117 A L - 0 0 33 -2,-0.6 2,-0.3 11,-0.2 5,-0.1 -0.636 40.4-138.3-132.8-170.6 -13.6 6.2 45.5 118 118 A K S S+ 0 0 173 1,-0.5 14,-0.0 3,-0.3 -2,-0.0 -0.939 74.1 31.0-154.1 140.4 -14.6 3.3 43.3 119 119 A E S S- 0 0 121 -2,-0.3 -1,-0.5 1,-0.1 101,-0.0 0.712 87.6-106.5 73.7 115.3 -16.5 3.4 40.1 120 120 A P S > S+ 0 0 44 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.769 102.0 86.9 -40.6 -34.5 -16.0 6.6 38.1 121 121 A K T 3 S+ 0 0 166 1,-0.2 -3,-0.3 3,-0.0 3,-0.1 -0.134 75.0 47.4 -61.5 169.2 -19.5 7.6 39.2 122 122 A N T 3 S+ 0 0 95 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.0 0.499 85.0 145.2 72.7 2.1 -19.7 9.4 42.6 123 123 A I < - 0 0 48 -3,-0.8 -1,-0.2 1,-0.1 3,-0.1 -0.174 30.5-177.1 -64.5 165.3 -16.9 11.6 41.2 124 124 A K + 0 0 93 1,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.559 60.0 12.8-137.8 -29.5 -16.8 15.2 42.2 125 125 A S S >> S- 0 0 11 1,-0.1 3,-1.4 -28,-0.0 4,-0.9 -0.956 77.7-101.7-148.4 162.2 -13.8 16.9 40.4 126 126 A A H >> S+ 0 0 42 -2,-0.3 4,-1.1 1,-0.3 3,-1.1 0.887 119.3 64.0 -54.2 -38.5 -11.4 16.2 37.7 127 127 A V H 34 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.801 96.9 54.9 -56.8 -31.9 -8.8 15.4 40.4 128 128 A D H <> S+ 0 0 3 -3,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.791 104.6 55.3 -72.2 -26.1 -10.9 12.4 41.6 129 129 A R H S+ 0 0 25 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.908 110.1 48.4 -65.1 -38.1 -6.6 7.9 40.1 132 132 A F H X S+ 0 0 38 -4,-0.5 4,-2.4 -3,-0.4 5,-0.2 0.893 109.8 52.1 -66.4 -39.6 -8.9 6.0 37.8 133 133 A H H X S+ 0 0 21 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.945 110.5 50.5 -61.1 -42.6 -7.0 7.3 34.8 134 134 A H H X S+ 0 0 10 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.924 109.6 48.1 -61.4 -46.7 -3.9 6.0 36.5 135 135 A K H X S+ 0 0 129 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.932 109.2 52.5 -60.0 -48.3 -5.3 2.5 37.2 136 136 A W H X S+ 0 0 40 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.849 115.8 42.7 -56.3 -35.6 -6.5 2.0 33.7 137 137 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 5,-0.4 0.813 95.4 72.0 -83.1 -35.6 -3.1 2.9 32.3 138 138 A E H < S+ 0 0 93 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.827 105.5 38.6 -57.2 -34.1 -0.6 1.2 34.6 139 139 A G H < S+ 0 0 61 -4,-0.8 -1,-0.2 1,-0.1 -2,-0.1 0.903 120.2 44.0 -82.3 -39.0 -1.3 -2.3 33.3 140 140 A R H < S+ 0 0 139 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.731 114.0 44.1 -80.4 -24.1 -1.7 -1.4 29.6 141 141 A I S >< S+ 0 0 2 -4,-2.4 3,-3.3 2,-0.1 4,-0.2 0.650 78.1 119.4 -95.7 -17.4 1.2 1.0 29.0 142 142 A K T 3 S+ 0 0 156 -4,-0.5 -91,-0.1 -5,-0.4 -92,-0.0 -0.239 81.5 24.5 -48.0 128.6 3.8 -1.0 30.8 143 143 A G T 3 S+ 0 0 59 1,-0.0 -1,-0.3 0, 0.0 3,-0.2 0.143 113.0 69.1 98.0 -19.9 6.4 -1.9 28.1 144 144 A K X> + 0 0 71 -3,-3.3 4,-1.8 1,-0.1 3,-0.7 0.100 56.0 119.9-118.3 22.4 5.6 1.0 25.8 145 145 A E H 3> S+ 0 0 36 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.821 76.9 51.0 -56.3 -32.3 6.9 3.9 28.0 146 146 A N H 3> S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.781 102.7 57.4 -81.0 -22.1 9.4 4.8 25.3 147 147 A E H <> S+ 0 0 54 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.912 107.4 50.7 -69.9 -37.6 6.8 4.9 22.6 148 148 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.933 109.6 50.2 -61.4 -46.5 5.0 7.5 24.8 149 149 A R H X S+ 0 0 16 -4,-1.7 4,-3.5 1,-0.2 5,-0.2 0.901 108.5 50.9 -61.0 -41.8 8.1 9.5 25.1 150 150 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 112.4 48.2 -62.0 -40.5 8.8 9.6 21.4 151 151 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.892 114.9 44.6 -66.3 -40.8 5.2 10.8 20.9 152 152 A K H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.934 113.4 50.1 -69.6 -44.7 5.6 13.5 23.5 153 153 A G H X S+ 0 0 7 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.872 110.4 51.1 -60.1 -38.2 9.0 14.5 22.2 154 154 A F H X S+ 0 0 1 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.951 113.7 43.5 -62.1 -52.2 7.6 14.8 18.7 155 155 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 6,-0.4 0.889 114.6 48.4 -62.6 -45.0 4.6 16.9 19.8 156 156 A K H ><5S+ 0 0 110 -4,-3.0 3,-2.6 1,-0.2 -1,-0.2 0.953 106.7 55.8 -63.1 -50.1 6.7 19.2 22.1 157 157 A A H 3<5S+ 0 0 8 -4,-2.2 100,-0.7 1,-0.3 -1,-0.2 0.798 112.2 45.7 -53.7 -26.8 9.4 19.8 19.5 158 158 A N T 3<5S- 0 0 36 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.097 117.3-110.4-107.6 24.6 6.5 21.0 17.2 159 159 A G T < 5S+ 0 0 56 -3,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.711 93.5 94.9 57.9 31.8 4.8 23.2 19.8 160 160 A I < + 0 0 5 -5,-2.6 10,-2.0 -6,-0.1 -4,-0.2 0.049 46.2 106.8-138.1 29.2 1.6 21.2 20.3 161 161 A Y + 0 0 53 -6,-0.4 -5,-0.1 8,-0.2 2,-0.1 0.932 62.7 63.2 -80.4 -47.6 2.3 19.1 23.3 162 162 A G - 0 0 14 1,-0.1 7,-2.6 7,-0.1 9,-0.2 -0.377 63.6-144.4 -81.2 161.6 0.3 20.5 26.2 163 163 A A + 0 0 34 5,-0.2 -1,-0.1 7,-0.2 8,-0.1 0.379 65.3 111.7 -99.3 4.1 -3.5 20.7 26.5 164 164 A E S >> S- 0 0 87 1,-0.1 4,-3.3 6,-0.1 3,-2.1 -0.355 84.9-100.5 -74.1 160.2 -3.5 24.0 28.4 165 165 A Y T 34 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.2 126,-0.1 0.735 118.4 63.5 -54.0 -29.7 -4.8 27.1 26.6 166 166 A K T 34 S+ 0 0 119 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.778 123.8 20.2 -66.6 -21.6 -1.5 28.6 25.7 167 167 A V T <4 S- 0 0 33 -3,-2.1 -2,-0.2 -7,-0.1 64,-0.2 0.773 74.0-160.8-114.9 -42.0 -1.0 25.5 23.5 168 168 A R < + 0 0 61 -4,-3.3 63,-2.1 62,-0.1 -5,-0.2 0.874 54.5 121.8 55.0 39.7 -4.4 23.7 22.8 169 169 A G - 0 0 2 -7,-2.6 2,-0.6 -5,-0.4 -8,-0.2 0.064 67.7 -46.2-106.0-143.4 -2.5 20.5 22.0 170 170 A F - 0 0 0 -10,-2.0 -7,-0.2 60,-0.1 5,-0.1 -0.845 50.6-136.9-102.3 108.3 -2.3 16.9 23.2 171 171 A S > - 0 0 31 -2,-0.6 4,-1.8 55,-0.3 -9,-0.1 0.019 25.9-110.5 -59.6 166.0 -2.2 16.2 26.9 172 172 A G H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.942 120.2 54.7 -61.2 -45.8 0.1 13.6 28.3 173 173 A Y H > S+ 0 0 32 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.904 105.2 53.1 -52.7 -46.8 -2.9 11.4 29.1 174 174 A L H > S+ 0 0 1 1,-0.2 4,-2.0 52,-0.2 -1,-0.3 0.907 105.3 54.9 -57.4 -42.9 -4.0 11.6 25.5 175 175 A C H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.886 108.1 48.1 -60.9 -39.4 -0.6 10.5 24.3 176 176 A E H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.916 108.7 52.5 -69.8 -40.2 -0.7 7.3 26.4 177 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 109.2 52.1 -61.0 -37.5 -4.2 6.4 25.3 178 178 A L H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.869 109.7 47.7 -66.6 -37.6 -3.0 6.7 21.7 179 179 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.882 111.0 51.1 -71.2 -37.2 -0.0 4.4 22.3 180 180 A V H < S+ 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.891 115.2 44.7 -66.0 -34.6 -2.3 1.9 24.0 181 181 A F H < S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.958 126.3 26.7 -74.1 -51.7 -4.5 2.1 21.0 182 182 A Y H < S- 0 0 33 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.686 97.8-129.5 -86.9 -19.3 -2.0 2.0 18.2 183 183 A G S < S+ 0 0 26 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.1 0.098 75.1 16.7 95.2 -24.3 0.7 0.0 20.0 184 184 A S S > S- 0 0 26 -6,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.978 82.2 -95.3-170.2 166.2 3.6 2.4 19.3 185 185 A F H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.953 119.7 50.5 -54.5 -58.1 4.7 5.8 18.1 186 186 A L H > S+ 0 0 35 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.897 111.5 48.5 -50.7 -45.7 5.1 4.8 14.4 187 187 A E H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 111.5 49.9 -63.8 -37.7 1.7 3.2 14.3 188 188 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.3 -2,-0.2 0.944 115.9 43.0 -63.5 -48.6 0.1 6.2 15.9 189 189 A V H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.896 111.5 53.7 -65.0 -44.4 1.8 8.4 13.3 190 190 A K H < S+ 0 0 81 -4,-3.4 3,-0.4 -5,-0.3 -1,-0.2 0.907 116.6 38.7 -58.6 -42.1 1.1 6.1 10.4 191 191 A N H >< S+ 0 0 57 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.802 101.4 69.5 -81.6 -29.2 -2.6 6.1 11.2 192 192 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.750 84.1 75.2 -61.2 -20.7 -3.0 9.8 12.2 193 193 A R T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.752 97.8 46.2 -61.9 -21.5 -2.4 10.6 8.5 194 194 A R T < S+ 0 0 196 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.311 86.6 120.1-101.7 2.7 -6.0 9.4 7.9 195 195 A W < - 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0 0 9 -3,-0.4 4,-2.0 3,-0.2 -1,-0.4 0.197 54.3 -96.2 98.8 137.7 -12.3 39.7 27.6 402 402 A K H > S+ 0 0 145 3,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.926 120.8 20.1 -51.8 -53.5 -13.1 40.4 31.2 403 403 A N H > S+ 0 0 46 2,-0.2 4,-2.5 -111,-0.1 5,-0.3 0.938 126.0 49.6 -86.2 -51.9 -9.5 41.2 32.2 404 404 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -3,-0.2 0.934 114.2 50.1 -52.5 -44.4 -7.9 42.1 28.9 405 405 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.868 108.2 51.2 -61.9 -38.4 -10.8 44.4 28.3 406 406 A E H X S+ 0 0 61 -4,-0.9 4,-1.4 -5,-0.4 -1,-0.2 0.881 111.6 47.6 -67.6 -37.2 -10.5 46.1 31.7 407 407 A S H X S+ 0 0 7 -4,-2.5 4,-1.3 1,-0.2 -123,-0.3 0.862 109.9 53.1 -70.3 -37.4 -6.8 46.7 31.1 408 408 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.868 104.2 56.5 -65.7 -37.5 -7.5 48.1 27.6 409 409 A R H < S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.8 41.8 -60.4 -43.2 -10.1 50.5 29.0 410 410 A E H < S- 0 0 136 -4,-1.4 2,-0.2 1,-0.3 -1,-0.2 0.678 133.3 -3.4 -80.5 -17.0 -7.5 52.0 31.4 411 411 A Y < + 0 0 56 -4,-1.3 -127,-0.4 -5,-0.1 2,-0.3 -0.799 64.2 139.7-177.2 134.6 -4.7 52.0 28.7 412 412 A F - 0 0 40 -2,-0.2 2,-0.3 -129,-0.2 -129,-0.2 -0.900 15.7-172.2-171.6 144.6 -3.9 51.0 25.2 413 413 A E E -I 282 0C 61 -131,-2.3 -131,-3.1 -2,-0.3 2,-0.5 -0.937 23.3-124.3-138.5 161.2 -2.0 52.5 22.2 414 414 A I E -I 281 0C 40 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.952 24.5-164.4-113.2 121.4 -1.6 51.4 18.6 415 415 A I E +I 280 0C 1 -135,-2.4 -135,-2.5 -2,-0.5 2,-0.3 -0.880 16.2 158.6-108.3 136.2 1.9 50.9 17.3 416 416 A S E > +I 279 0C 53 -2,-0.4 3,-0.6 -137,-0.2 4,-0.2 -0.921 42.4 14.9-145.6 167.2 2.9 50.7 13.6 417 417 A G T >> S- 0 0 35 -139,-0.8 3,-1.9 -2,-0.3 4,-1.5 -0.222 118.8 -18.1 68.4-155.2 6.0 51.1 11.5 418 418 A E H 3> S+ 0 0 106 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.867 133.6 62.5 -54.8 -40.6 9.6 51.2 12.7 419 419 A K H <4 S+ 0 0 125 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 105.9 48.3 -60.2 -19.6 8.3 52.0 16.2 420 420 A L H X4 S+ 0 0 0 -3,-1.9 3,-2.0 -4,-0.2 5,-0.3 0.847 99.0 62.3 -88.0 -40.6 6.6 48.6 16.1 421 421 A F H 3< S+ 0 0 12 -4,-1.5 5,-0.2 1,-0.3 -2,-0.2 0.628 99.0 60.6 -61.3 -13.7 9.5 46.5 14.9 422 422 A K T 3< S+ 0 0 166 -4,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.605 86.1 90.7 -89.9 -13.6 11.3 47.5 18.1 423 423 A E S X S- 0 0 32 -3,-2.0 2,-1.9 1,-0.1 3,-0.7 -0.368 99.1 -97.6 -75.1 162.5 8.6 45.9 20.3 424 424 A P T 3 S+ 0 0 59 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.275 102.5 89.4 -78.9 55.3 9.2 42.2 21.2 425 425 A V T 3> + 0 0 0 -2,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.358 40.0 111.6-131.8 4.6 6.9 40.8 18.5 426 426 A T H <> S+ 0 0 29 -3,-0.7 4,-1.3 1,-0.2 5,-0.1 0.801 83.4 50.6 -52.7 -30.4 9.2 40.4 15.5 427 427 A A H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 108.9 47.9 -75.7 -44.3 8.8 36.6 15.8 428 428 A E H > S+ 0 0 50 1,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.867 112.2 52.2 -62.4 -36.3 5.0 36.5 16.0 429 429 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.844 105.6 52.9 -68.4 -36.3 5.0 38.9 12.9 430 430 A C H <>S+ 0 0 23 -4,-1.3 5,-2.4 -5,-0.3 4,-0.3 0.871 112.8 45.2 -68.2 -34.0 7.2 36.6 10.9 431 431 A E H ><5S+ 0 0 126 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.908 110.8 53.4 -73.1 -43.2 4.9 33.7 11.6 432 432 A M H 3<5S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.9 39.0 -59.5 -39.0 1.8 35.7 10.8 433 433 A M T 3<5S- 0 0 7 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.410 109.8-119.1 -94.2 1.6 3.2 36.8 7.4 434 434 A G T < 5 - 0 0 55 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.805 43.1-178.9 66.8 28.5 4.7 33.4 6.6 435 435 A V < - 0 0 34 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.416 9.1-171.7 -59.3 132.0 8.2 34.9 6.3 436 436 A K 0 0 181 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.077 360.0 360.0-108.0-148.6 10.5 32.1 5.4 437 437 A D 0 0 147 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.037 360.0 360.0 77.0 360.0 14.3 31.5 5.0