==== 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 23-OCT-03 1R8A . COMPND 2 MOLECULE: TRNA NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR Y.XIONG,F.LI,J.WANG,A.M.WEINER,T.A.STEITZ . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 13.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 3 2 0 3 1 2 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 3 1 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 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 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 0 165 0, 0.0 4,-0.2 0, 0.0 249,-0.1 0.000 360.0 360.0 360.0 41.6 -5.4 0.5 9.9 2 2 A K >> - 0 0 149 3,-0.1 4,-1.5 247,-0.1 3,-1.1 0.607 360.0-113.5 73.6 127.6 -6.0 4.3 10.2 3 3 A V H 3> S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.866 112.7 58.9 -57.3 -42.6 -3.5 6.3 12.3 4 4 A E H 3> S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.770 109.6 43.4 -60.1 -31.2 -6.1 7.2 15.0 5 5 A E H <> S+ 0 0 86 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.728 110.6 53.8 -89.5 -29.8 -6.8 3.5 15.8 6 6 A I H X S+ 0 0 6 -4,-1.5 4,-1.6 -3,-0.2 -2,-0.2 0.850 108.0 51.5 -69.4 -39.1 -3.2 2.4 15.8 7 7 A L H X S+ 0 0 21 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.918 106.9 53.9 -64.5 -42.3 -2.4 5.1 18.3 8 8 A E H < S+ 0 0 140 -4,-1.1 4,-0.5 1,-0.2 3,-0.2 0.906 110.3 46.4 -56.7 -43.6 -5.3 3.9 20.5 9 9 A K H >X S+ 0 0 102 -4,-1.5 3,-0.8 1,-0.2 4,-0.6 0.824 108.4 55.7 -70.0 -32.1 -3.9 0.4 20.5 10 10 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 3,-0.4 0.773 92.2 71.6 -72.1 -27.7 -0.3 1.6 21.3 11 11 A L H 3X S+ 0 0 35 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.802 95.4 53.6 -58.7 -28.8 -1.6 3.4 24.3 12 12 A E H <4 S+ 0 0 146 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.784 109.0 47.3 -78.5 -29.6 -2.0 -0.1 25.9 13 13 A L H < S+ 0 0 70 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.684 122.1 38.9 -73.0 -16.8 1.6 -0.9 25.1 14 14 A V H < S+ 0 0 2 -4,-1.2 41,-1.7 40,-0.1 -2,-0.2 0.840 93.8 78.3-109.6 -41.9 2.6 2.5 26.6 15 15 A I S < S- 0 0 58 -4,-2.7 39,-0.1 -5,-0.1 37,-0.0 -0.623 88.2-110.9 -78.3 124.9 0.5 3.3 29.7 16 16 A P - 0 0 8 0, 0.0 39,-0.1 0, 0.0 -1,-0.1 -0.078 38.5 -96.5 -60.1 156.0 1.9 1.4 32.7 17 17 A D > - 0 0 74 1,-0.1 4,-1.7 3,-0.1 3,-0.2 -0.047 34.3-100.0 -73.9 175.6 -0.3 -1.4 34.2 18 18 A E H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.949 119.2 44.2 -63.9 -58.2 -2.6 -1.1 37.2 19 19 A E H > S+ 0 0 147 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.671 110.7 59.9 -63.8 -17.8 -0.5 -2.6 40.0 20 20 A E H > S+ 0 0 25 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 105.1 46.5 -73.2 -44.1 2.4 -0.5 38.7 21 21 A V H X S+ 0 0 30 -4,-1.7 4,-1.3 -3,-0.4 3,-0.2 0.930 117.9 42.2 -62.0 -47.1 0.5 2.8 39.2 22 22 A R H X S+ 0 0 167 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.645 107.5 60.8 -79.9 -15.4 -0.6 1.8 42.7 23 23 A K H X S+ 0 0 111 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.2 0.825 110.8 42.4 -71.8 -33.5 2.9 0.3 43.4 24 24 A G H X S+ 0 0 0 -4,-1.4 4,-1.2 -3,-0.2 -2,-0.2 0.765 108.4 60.0 -78.4 -29.9 4.2 3.9 42.8 25 25 A R H X S+ 0 0 122 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.920 109.4 41.3 -66.2 -45.4 1.3 5.5 44.8 26 26 A E H X S+ 0 0 146 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.811 112.9 52.5 -78.6 -31.4 2.2 3.7 48.0 27 27 A A H X S+ 0 0 0 -4,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.756 111.9 49.2 -69.7 -22.3 5.9 4.2 47.6 28 28 A E H X S+ 0 0 43 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.763 112.4 47.1 -84.4 -26.9 5.1 7.9 47.1 29 29 A E H X S+ 0 0 111 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.814 113.9 47.2 -82.6 -32.4 2.8 7.9 50.3 30 30 A E H X S+ 0 0 41 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.885 113.3 48.3 -68.7 -44.7 5.5 6.1 52.4 31 31 A L H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 3,-0.3 0.913 110.8 49.6 -67.9 -46.0 8.2 8.4 51.2 32 32 A R H X S+ 0 0 91 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.945 109.4 54.1 -53.1 -48.6 6.2 11.5 51.9 33 33 A R H X S+ 0 0 134 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.776 110.7 45.7 -59.5 -32.0 5.5 10.1 55.4 34 34 A R H X S+ 0 0 55 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.925 117.7 40.1 -77.7 -49.8 9.2 9.7 56.1 35 35 A L H X>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 4,-1.0 0.792 114.9 53.2 -65.8 -35.5 10.4 13.1 54.8 36 36 A D H ><5S+ 0 0 101 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.924 105.7 54.5 -69.2 -41.6 7.4 14.9 56.3 37 37 A E H 3<5S+ 0 0 159 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.719 111.0 46.2 -60.7 -25.6 8.2 13.3 59.7 38 38 A L H 3<5S- 0 0 90 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.585 107.9-121.6 -95.2 -16.0 11.8 14.7 59.5 39 39 A G T <<5 + 0 0 55 -4,-1.0 2,-0.2 -3,-0.7 -3,-0.2 0.717 54.0 157.4 82.0 22.1 10.8 18.3 58.4 40 40 A V < - 0 0 14 -5,-1.6 2,-0.5 42,-0.0 -1,-0.2 -0.571 43.4-128.6 -79.7 139.7 12.8 18.3 55.1 41 41 A E + 0 0 86 -2,-0.2 24,-2.2 24,-0.2 2,-0.3 -0.810 48.3 155.9 -84.0 124.5 11.8 20.7 52.3 42 42 A Y E -A 64 0A 42 -2,-0.5 2,-0.3 22,-0.2 22,-0.2 -0.945 32.4-153.6-147.6 168.1 11.5 18.6 49.1 43 43 A V E -A 63 0A 46 20,-1.9 20,-2.4 -2,-0.3 2,-0.4 -0.969 19.6-130.3-149.8 133.4 9.9 18.2 45.7 44 44 A F E +A 62 0A 11 -2,-0.3 18,-0.2 18,-0.2 2,-0.2 -0.670 39.1 169.8 -78.6 131.7 9.0 15.2 43.5 45 45 A V E > +A 61 0A 1 16,-2.2 4,-0.9 -2,-0.4 16,-0.7 -0.596 27.5 54.9-129.8-170.8 10.4 15.7 40.0 46 46 A G H > S- 0 0 15 84,-0.2 4,-1.0 -2,-0.2 3,-0.4 -0.044 101.9 -48.3 67.7-176.7 10.8 13.7 36.9 47 47 A S H 4>S+ 0 0 26 1,-0.3 5,-1.9 2,-0.2 6,-0.9 0.635 127.7 63.4 -79.3 -16.0 8.2 11.7 34.9 48 48 A Y H >45S+ 0 0 20 11,-0.4 3,-1.3 -3,-0.4 -1,-0.3 0.935 102.4 51.4 -66.9 -46.0 6.6 10.0 37.9 49 49 A A H 3<5S+ 0 0 43 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.820 116.7 41.6 -58.7 -31.4 5.5 13.3 39.3 50 50 A R T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.312 104.0-125.1-102.5 7.4 4.0 14.1 35.9 51 51 A N T < 5S+ 0 0 73 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.831 80.1 115.4 56.4 31.4 2.4 10.8 35.0 52 52 A T < + 0 0 0 -5,-1.9 -4,-0.2 -6,-0.1 -1,-0.1 0.288 39.7 124.5-107.7 2.4 4.3 10.7 31.8 53 53 A W - 0 0 2 -6,-0.9 5,-0.1 1,-0.1 3,-0.1 -0.380 62.3-108.9 -80.3 147.5 6.5 7.7 32.6 54 54 A L > - 0 0 8 3,-0.2 3,-1.9 1,-0.1 2,-0.2 -0.275 38.7 -90.7 -71.1 151.9 6.6 4.6 30.3 55 55 A K T 3 S+ 0 0 78 -41,-1.7 -1,-0.1 1,-0.2 -40,-0.1 -0.476 117.0 18.8 -57.6 122.0 5.2 1.2 31.2 56 56 A G T 3 S+ 0 0 59 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.084 103.4 89.7 104.6 -19.8 8.0 -0.6 32.9 57 57 A S < + 0 0 50 -3,-1.9 2,-0.4 2,-0.1 -3,-0.2 -0.315 49.4 165.7-111.0 51.5 10.1 2.4 33.9 58 58 A L + 0 0 27 -2,-0.3 50,-0.4 -5,-0.1 2,-0.3 -0.528 9.9 156.7 -72.4 120.0 8.8 3.4 37.3 59 59 A E - 0 0 74 -2,-0.4 2,-0.5 48,-0.1 -11,-0.4 -0.987 28.7-153.0-147.0 128.0 11.3 5.8 39.0 60 60 A I E - b 0 109A 0 48,-2.4 50,-1.9 -2,-0.3 2,-0.5 -0.933 11.1-166.2-106.6 130.0 10.6 8.3 41.8 61 61 A D E -Ab 45 110A 29 -16,-0.7 -16,-2.2 -2,-0.5 2,-0.4 -0.983 5.9-177.3-113.5 129.5 12.9 11.3 41.9 62 62 A V E -Ab 44 111A 0 48,-2.9 50,-2.0 -2,-0.5 2,-0.5 -0.996 8.6-160.7-127.8 127.3 13.0 13.5 45.0 63 63 A F E -Ab 43 112A 8 -20,-2.4 -20,-1.9 -2,-0.4 2,-0.5 -0.907 15.8-136.2-106.9 127.3 15.1 16.7 45.2 64 64 A L E -Ab 42 113A 0 48,-2.6 50,-1.8 -2,-0.5 2,-0.8 -0.771 15.9-146.2 -83.0 128.8 15.9 18.1 48.7 65 65 A L E - b 0 114A 25 -24,-2.2 50,-0.2 -2,-0.5 -24,-0.2 -0.822 22.1-177.8-105.9 94.3 15.5 21.9 48.6 66 66 A F E - b 0 115A 10 48,-2.1 50,-2.4 -2,-0.8 4,-0.2 -0.799 35.2 -88.4-108.5 137.4 18.0 23.5 51.0 67 67 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.059 38.1-113.3 -44.5 140.7 18.4 27.2 51.8 68 68 A E S S+ 0 0 109 48,-0.4 2,-0.9 1,-0.3 47,-0.1 0.673 109.5 67.9 -51.5 -27.6 20.7 29.2 49.5 69 69 A E S S+ 0 0 185 2,-0.0 2,-0.4 46,-0.0 -1,-0.3 -0.534 71.9 114.1 -95.1 63.8 23.2 29.8 52.3 70 70 A F - 0 0 62 -2,-0.9 45,-0.0 -4,-0.2 -4,-0.0 -0.995 66.7-117.7-124.8 137.5 24.4 26.1 52.7 71 71 A S > - 0 0 73 -2,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.026 23.5-108.7 -67.6 174.1 28.0 25.3 51.9 72 72 A K T 4 S+ 0 0 122 2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.626 122.1 37.4 -78.8 -15.9 29.1 22.9 49.1 73 73 A E T > S+ 0 0 105 2,-0.1 4,-1.4 3,-0.1 5,-0.2 0.698 111.7 57.5-100.6 -31.4 30.1 20.3 51.7 74 74 A E H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.811 110.3 44.5 -70.0 -33.2 27.3 20.9 54.2 75 75 A L H X S+ 0 0 12 -4,-1.3 4,-1.1 3,-0.2 -1,-0.2 0.739 111.8 55.2 -77.6 -27.1 24.7 20.2 51.5 76 76 A R H 4 S+ 0 0 86 2,-0.1 4,-0.3 3,-0.1 -2,-0.2 0.764 116.5 34.6 -77.1 -27.4 26.7 17.1 50.5 77 77 A E H >X S+ 0 0 118 -4,-1.4 4,-1.5 2,-0.1 3,-0.8 0.921 122.1 42.8 -90.0 -57.4 26.8 15.6 54.0 78 78 A R H 3X S+ 0 0 110 -4,-1.7 4,-1.3 1,-0.2 5,-0.2 0.856 109.9 58.5 -56.0 -43.3 23.3 16.6 55.3 79 79 A G H 3X S+ 0 0 0 -4,-1.1 4,-0.8 -5,-0.2 -1,-0.2 0.783 109.6 43.7 -60.5 -30.6 21.6 15.7 52.0 80 80 A L H <> S+ 0 0 20 -3,-0.8 4,-1.4 -4,-0.3 -1,-0.2 0.719 103.5 64.5 -89.1 -25.3 22.8 12.1 52.2 81 81 A E H X S+ 0 0 105 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.813 105.6 46.3 -61.6 -34.2 22.0 11.8 56.0 82 82 A I H X S+ 0 0 2 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.836 107.8 56.9 -78.5 -34.4 18.3 12.2 55.0 83 83 A G H X S+ 0 0 0 -4,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.786 106.6 49.1 -65.8 -29.9 18.7 9.7 52.1 84 84 A K H < S+ 0 0 102 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.935 114.0 46.7 -69.1 -45.4 19.9 7.1 54.6 85 85 A A H < S+ 0 0 64 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.688 115.7 43.8 -72.9 -22.4 17.0 7.8 56.9 86 86 A V H < S+ 0 0 0 -4,-1.5 2,-0.3 -5,-0.0 -1,-0.2 0.705 100.6 75.2 -99.4 -22.6 14.3 7.8 54.2 87 87 A L < - 0 0 9 -4,-1.1 17,-0.2 -3,-0.2 3,-0.2 -0.708 69.2-139.7 -99.9 142.1 15.3 4.7 52.1 88 88 A D S S+ 0 0 85 15,-1.8 2,-0.3 -2,-0.3 16,-0.1 0.940 101.7 8.7 -50.2 -51.9 14.8 1.1 52.9 89 89 A S B S-C 103 0A 66 14,-0.9 14,-1.4 -3,-0.1 2,-0.3 -0.997 80.5-161.8-136.2 141.8 18.3 0.7 51.3 90 90 A Y + 0 0 135 -2,-0.3 2,-0.3 12,-0.2 12,-0.1 -0.895 13.7 168.2-126.9 146.6 20.8 3.5 50.3 91 91 A E - 0 0 104 -2,-0.3 10,-2.2 -8,-0.0 2,-0.8 -0.976 32.2-122.9-146.9 162.6 23.9 4.0 48.1 92 92 A I E +D 100 0A 95 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.838 36.1 171.0-109.4 95.1 25.9 7.0 46.8 93 93 A R E -D 99 0A 112 6,-1.5 6,-1.4 -2,-0.8 2,-0.4 -0.436 24.6-128.1 -90.2 172.7 26.1 7.0 43.0 94 94 A Y E +D 98 0A 166 4,-0.2 -2,-0.0 -2,-0.1 6,-0.0 -0.988 38.6 158.0-129.8 124.8 27.5 9.8 40.9 95 95 A A S S- 0 0 73 2,-1.1 -1,-0.1 -2,-0.4 4,-0.0 0.719 100.2 -45.1 -96.1 -49.3 26.0 11.6 37.9 96 96 A E S S+ 0 0 98 1,-0.8 3,-0.0 29,-0.0 -2,-0.0 0.297 136.0 24.3-140.2 -48.7 28.3 14.6 38.6 97 97 A H S S- 0 0 98 1,-0.1 -2,-1.1 -4,-0.0 -1,-0.8 -0.815 101.4 -83.3-109.0 158.0 28.1 15.1 42.4 98 98 A P E +D 94 0A 31 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.186 51.3 167.6 -57.7 152.9 27.0 12.3 44.8 99 99 A Y E -D 93 0A 40 -6,-1.4 -6,-1.5 13,-0.1 2,-0.5 -0.947 39.7 -99.3-166.1 147.2 23.4 11.5 45.5 100 100 A V E -DE 92 111A 4 11,-1.7 11,-4.0 -2,-0.3 2,-0.5 -0.643 34.6-179.5 -82.3 120.0 21.4 8.7 47.2 101 101 A H E + E 0 110A 17 -10,-2.2 9,-0.2 -2,-0.5 2,-0.1 -0.929 31.7 117.5-119.0 103.8 20.0 6.1 44.7 102 102 A G E - E 0 109A 6 7,-2.0 7,-2.4 -2,-0.5 2,-0.3 -0.336 53.1 -83.5-139.3-143.8 18.0 3.5 46.6 103 103 A V E -CE 89 108A 50 -14,-1.4 -15,-1.8 5,-0.3 -14,-0.9 -0.976 15.7-167.4-144.5 146.2 14.6 1.9 47.1 104 104 A V S S- 0 0 0 3,-1.9 3,-0.5 -2,-0.3 -73,-0.1 -0.925 80.8 -24.6-137.7 118.2 11.3 2.4 48.9 105 105 A K S S- 0 0 113 -2,-0.3 -78,-0.1 1,-0.2 -79,-0.1 0.883 129.8 -42.2 46.2 49.9 8.7 -0.5 49.0 106 106 A G S S+ 0 0 56 1,-0.2 2,-0.4 -79,-0.1 -1,-0.2 0.674 115.6 111.2 80.9 22.0 10.0 -2.1 45.8 107 107 A V - 0 0 4 -3,-0.5 -3,-1.9 -80,-0.1 -1,-0.2 -0.985 69.1-118.1-136.1 119.6 10.5 1.2 43.8 108 108 A E E - E 0 103A 40 -50,-0.4 -48,-2.4 -2,-0.4 2,-0.3 -0.325 36.2-176.5 -46.6 127.4 13.7 2.9 42.6 109 109 A V E -bE 60 102A 0 -7,-2.4 -7,-2.0 -50,-0.2 2,-0.5 -0.997 17.1-157.7-129.9 139.0 14.2 6.4 44.2 110 110 A D E -bE 61 101A 13 -50,-1.9 -48,-2.9 -2,-0.3 2,-0.5 -0.978 9.1-164.3-107.8 125.4 16.9 9.0 43.6 111 111 A V E -bE 62 100A 0 -11,-4.0 -11,-1.7 -2,-0.5 -48,-0.2 -0.970 11.9-174.9-109.3 128.5 17.3 11.5 46.4 112 112 A V E -b 63 0A 8 -50,-2.0 -48,-2.6 -2,-0.5 2,-0.3 -0.971 19.8-140.6-130.5 117.7 19.3 14.6 45.4 113 113 A P E +b 64 0A 20 0, 0.0 2,-0.3 0, 0.0 -48,-0.1 -0.616 37.8 151.7 -71.4 135.4 20.6 17.5 47.5 114 114 A C E -b 65 0A 4 -50,-1.8 -48,-2.1 -2,-0.3 -2,-0.0 -0.974 46.8 -83.9-163.4 155.9 20.3 20.9 45.7 115 115 A Y E -b 66 0A 38 -2,-0.3 2,-0.8 -50,-0.2 -47,-0.1 -0.305 38.4-121.7 -63.2 135.3 19.9 24.6 46.4 116 116 A K + 0 0 90 -50,-2.4 -48,-0.4 -51,-0.0 2,-0.4 -0.731 48.5 173.5 -75.0 111.2 16.3 26.0 46.9 117 117 A L - 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0 0 9 -3,-0.3 4,-2.4 3,-0.2 5,-0.4 0.082 53.4 -88.7 101.3 146.7 40.4 3.1 27.0 402 402 A K H > S+ 0 0 136 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.900 123.8 21.0 -55.5 -50.3 41.7 3.2 30.5 403 403 A N H > S+ 0 0 40 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.848 123.6 54.5 -93.1 -34.3 39.9 0.1 31.8 404 404 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -3,-0.2 0.943 111.7 47.1 -62.8 -43.4 39.3 -1.6 28.4 405 405 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 110.2 50.7 -62.6 -48.1 43.1 -1.4 27.7 406 406 A E H X S+ 0 0 72 -4,-1.0 4,-1.6 -5,-0.4 -1,-0.2 0.898 110.6 50.1 -63.1 -39.2 44.2 -2.6 31.1 407 407 A S H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -123,-0.3 0.933 110.9 48.5 -62.9 -44.0 41.9 -5.7 30.8 408 408 A I H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 105.7 58.3 -63.8 -37.3 43.2 -6.5 27.3 409 409 A R H < S+ 0 0 158 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 110.3 44.4 -53.8 -43.0 46.7 -6.2 28.6 410 410 A E H < S- 0 0 163 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.875 134.1 -16.2 -73.1 -42.6 45.9 -8.9 31.1 411 411 A Y < + 0 0 76 -4,-2.2 -127,-0.5 -5,-0.1 2,-0.3 -0.858 63.6 156.2-165.5 130.4 44.1 -11.3 28.7 412 412 A F E -K 283 0D 41 -2,-0.3 2,-0.3 -3,-0.2 -129,-0.2 -0.981 15.9-160.0-149.2 163.2 42.5 -11.2 25.2 413 413 A E E -K 282 0D 86 -131,-1.8 -131,-2.8 -2,-0.3 2,-0.5 -0.982 16.7-135.2-139.1 141.8 41.7 -13.7 22.5 414 414 A I E -K 281 0D 43 -2,-0.3 2,-0.5 -133,-0.2 -133,-0.2 -0.935 26.8-161.2 -94.4 125.0 41.0 -13.4 18.8 415 415 A I E +K 280 0D 7 -135,-3.0 -135,-2.6 -2,-0.5 2,-0.3 -0.946 17.0 162.4-117.1 130.4 38.0 -15.5 17.8 416 416 A S E >> -K 279 0D 31 -2,-0.5 3,-1.0 -137,-0.2 4,-0.7 -0.888 45.7 -7.7-132.9 157.1 37.1 -16.6 14.2 417 417 A G H >> S- 0 0 30 -139,-0.6 4,-1.0 -2,-0.3 3,-0.8 -0.050 121.0 -0.7 63.2-145.7 34.9 -19.3 12.6 418 418 A E H 34 S+ 0 0 104 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.785 132.7 55.8 -54.7 -28.2 33.0 -22.0 14.4 419 419 A K H X4 S+ 0 0 110 -3,-1.0 3,-1.7 1,-0.2 4,-0.4 0.905 98.7 60.0 -72.8 -40.0 34.5 -20.8 17.8 420 420 A L H X< S+ 0 0 0 -3,-0.8 3,-0.9 -4,-0.7 5,-0.3 0.806 100.7 57.0 -54.9 -27.7 33.1 -17.3 17.2 421 421 A F T 3< S+ 0 0 29 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.617 93.7 66.4 -85.0 -13.2 29.6 -19.0 17.1 422 422 A K T < S+ 0 0 159 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.525 93.6 77.4 -72.6 -11.0 30.2 -20.4 20.6 423 423 A E S X S- 0 0 33 -3,-0.9 2,-2.1 -4,-0.4 3,-0.6 -0.700 96.6-106.0-102.5 158.7 30.1 -16.8 22.0 424 424 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 -0.345 93.5 95.2 -80.6 62.1 27.0 -14.6 22.5 425 425 A V T 3> + 0 0 0 -2,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.353 43.3 102.1-130.6 -2.2 27.7 -12.4 19.5 426 426 A T H <> S+ 0 0 44 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.911 83.1 51.3 -60.5 -41.5 25.6 -13.9 16.8 427 427 A A H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.7 47.3 -63.5 -40.9 22.9 -11.3 17.1 428 428 A E H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 111.0 51.6 -67.1 -40.3 25.4 -8.5 16.8 429 429 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.936 108.8 51.3 -60.5 -49.6 27.2 -10.1 13.8 430 430 A C H X>S+ 0 0 4 -4,-2.7 5,-2.5 1,-0.2 4,-0.6 0.915 112.3 45.1 -52.9 -49.1 23.9 -10.5 12.0 431 431 A E H ><5S+ 0 0 142 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.899 110.9 54.0 -64.2 -39.1 23.0 -6.8 12.5 432 432 A M H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 114.0 41.9 -66.9 -31.1 26.5 -5.7 11.6 433 433 A M H 3<5S- 0 0 11 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.441 111.9-118.4 -93.9 -2.5 26.2 -7.6 8.3 434 434 A G T <<5 - 0 0 53 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.823 42.0-174.0 68.4 33.6 22.6 -6.6 7.5 435 435 A V < - 0 0 23 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.365 15.4-135.8 -61.6 132.2 21.3 -10.1 7.6 436 436 A K 0 0 167 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.557 360.0 360.0 -90.4 157.4 17.6 -10.2 6.6 437 437 A D 0 0 165 -2,-0.2 -1,-0.1 -175,-0.0 -177,-0.1 -0.308 360.0 360.0 -67.0 360.0 14.9 -12.2 8.3