==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-03 1UEV . COMPND 2 MOLECULE: TRNA NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR O.NUREKI,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 70.3 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 . 59 13.7 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.7 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 0 0 1 0 2 2 1 3 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 2 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 2 A K >> 0 0 161 0, 0.0 3,-1.5 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 -38.4 -5.8 19.0 9.8 2 3 A V H >> + 0 0 25 1,-0.3 4,-2.3 2,-0.2 3,-1.4 0.903 360.0 48.4 -44.0 -61.6 -3.2 21.1 11.7 3 4 A E H 34 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.654 110.2 55.8 -59.0 -16.3 -5.4 22.2 14.6 4 5 A E H <> S+ 0 0 107 -3,-1.5 4,-0.9 2,-0.2 -1,-0.3 0.724 107.8 46.2 -88.2 -25.0 -6.5 18.6 15.0 5 6 A I H < S+ 0 0 107 -4,-0.9 3,-0.8 -3,-0.4 4,-0.3 0.778 107.8 65.5 -77.3 -25.8 -3.8 15.2 20.0 9 10 A A H >X S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 4,-1.5 0.873 89.7 65.9 -61.7 -38.6 -0.3 16.6 20.7 10 11 A L H 3X S+ 0 0 55 -4,-1.4 4,-2.9 1,-0.3 -1,-0.2 0.799 92.2 60.6 -53.8 -34.8 -1.6 18.0 24.0 11 12 A E H <4 S+ 0 0 145 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.608 109.6 44.0 -70.5 -11.6 -2.1 14.5 25.3 12 13 A L H <4 S+ 0 0 70 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.699 120.3 38.1-101.8 -28.8 1.6 13.9 24.9 13 14 A V H < S+ 0 0 3 -4,-1.5 41,-2.2 40,-0.1 -2,-0.2 0.724 98.1 84.6 -96.6 -25.3 2.8 17.3 26.3 14 15 A I S < S- 0 0 57 -4,-2.9 39,-0.1 -5,-0.2 2,-0.0 -0.684 80.9-113.3 -88.6 136.0 0.4 17.8 29.2 15 16 A P - 0 0 11 0, 0.0 2,-0.6 0, 0.0 39,-0.1 -0.229 27.8-114.9 -59.8 139.8 1.1 16.1 32.6 16 17 A D >> - 0 0 65 1,-0.1 3,-3.9 -2,-0.0 2,-3.2 -0.761 28.0-107.5 -98.2 123.5 -1.0 13.4 34.1 17 18 A E T 34 S+ 0 0 147 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.324 117.0 57.6 -9.7 -14.9 -3.0 13.9 37.3 18 19 A E T 34 S+ 0 0 132 -2,-3.2 4,-0.5 2,-0.1 -1,-0.3 0.560 111.5 39.6-103.8 -14.7 -0.6 11.7 39.3 19 20 A E T <> S+ 0 0 23 -3,-3.9 4,-1.5 2,-0.2 -2,-0.2 0.680 114.1 51.9-101.5 -29.9 2.4 13.7 38.5 20 21 A V H X S+ 0 0 46 -4,-0.6 4,-1.2 1,-0.2 -3,-0.2 0.479 107.7 59.9 -80.1 -2.7 0.5 17.0 38.9 21 22 A R H > S+ 0 0 126 -5,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.821 101.7 47.2 -89.8 -41.0 -0.3 15.3 42.1 22 23 A K H > S+ 0 0 120 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.840 111.1 56.8 -69.7 -31.1 3.3 15.0 43.2 23 24 A G H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.993 107.6 41.1 -62.6 -66.3 3.7 18.7 42.3 24 25 A R H X S+ 0 0 113 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.877 116.1 52.6 -50.1 -44.7 0.9 20.3 44.4 25 26 A E H X S+ 0 0 88 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.971 112.0 42.6 -57.4 -60.0 1.9 18.0 47.4 26 27 A A H X S+ 0 0 0 -4,-2.2 4,-3.8 1,-0.2 5,-0.3 0.914 113.4 53.3 -54.4 -47.7 5.6 18.8 47.4 27 28 A E H X S+ 0 0 49 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.953 110.5 46.7 -53.5 -53.7 4.9 22.5 46.9 28 29 A E H X S+ 0 0 127 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.949 117.1 43.1 -54.4 -52.7 2.5 22.7 49.8 29 30 A E H X S+ 0 0 45 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.947 111.8 54.0 -59.0 -50.7 4.9 20.8 52.1 30 31 A L H X S+ 0 0 0 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.821 109.0 48.1 -55.3 -36.3 8.0 22.7 50.9 31 32 A R H X S+ 0 0 80 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.915 106.9 57.6 -71.6 -42.1 6.3 26.1 51.7 32 33 A R H X S+ 0 0 164 -4,-2.0 4,-1.9 -5,-0.2 3,-0.5 0.969 111.7 40.4 -49.0 -62.6 5.3 24.8 55.2 33 34 A R H X S+ 0 0 46 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.892 116.1 50.6 -53.4 -47.1 8.9 24.1 56.1 34 35 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 -1,-0.2 0.800 110.7 49.6 -63.5 -31.4 10.2 27.2 54.4 35 36 A D H <5S+ 0 0 91 -4,-2.9 3,-0.4 -3,-0.5 -1,-0.2 0.807 104.2 58.4 -78.6 -28.9 7.7 29.4 56.3 36 37 A E H <5S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.715 107.3 47.4 -71.7 -21.5 8.5 27.8 59.6 37 38 A L T <5S- 0 0 78 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.543 113.1-126.6 -92.2 -8.4 12.1 29.0 59.1 38 39 A G T 5 + 0 0 59 -3,-0.4 2,-0.3 -4,-0.2 -3,-0.2 0.952 49.6 170.0 61.9 49.1 10.6 32.3 58.2 39 40 A V < - 0 0 11 -5,-2.4 2,-0.9 38,-0.0 -1,-0.2 -0.668 39.1-125.7 -96.4 147.7 12.6 32.3 55.0 40 41 A E + 0 0 97 24,-0.3 24,-3.0 -2,-0.3 2,-0.3 -0.815 50.5 153.2 -93.2 105.4 12.1 34.7 52.0 41 42 A Y E -A 63 0A 38 -2,-0.9 2,-0.3 22,-0.2 22,-0.2 -0.909 31.2-164.2-137.1 162.8 11.6 32.5 49.0 42 43 A V E -A 62 0A 42 20,-1.5 20,-2.2 -2,-0.3 2,-0.7 -0.959 25.0-128.7-149.8 124.5 10.0 32.4 45.5 43 44 A F E +A 61 0A 8 -2,-0.3 18,-0.2 18,-0.2 -2,-0.0 -0.627 31.4 172.0 -71.6 112.4 9.1 29.5 43.2 44 45 A V + 0 0 11 16,-2.5 -1,-0.2 -2,-0.7 17,-0.1 0.235 35.3 125.7-107.7 12.6 10.7 30.6 39.9 45 46 A G S S- 0 0 4 15,-0.4 4,-0.3 1,-0.1 6,-0.1 0.046 79.2-117.3 -71.5 172.9 10.1 27.3 38.2 46 47 A S S >S+ 0 0 36 12,-0.3 5,-2.1 1,-0.2 6,-1.3 0.646 125.5 58.0 -75.7 -18.0 8.5 26.1 35.1 47 48 A Y T > 5S+ 0 0 23 11,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.870 96.6 59.0 -76.0 -39.3 6.4 24.4 37.7 48 49 A A T 3 5S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.590 113.2 38.3 -66.1 -12.3 5.6 27.9 39.2 49 50 A R T 3 5S- 0 0 19 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.039 107.3-120.4-126.6 24.5 4.0 28.9 35.8 50 51 A N T < 5S+ 0 0 72 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.742 82.7 117.6 39.7 33.5 2.4 25.6 35.0 51 52 A T < + 0 0 0 -5,-2.1 -4,-0.2 -6,-0.1 -1,-0.2 0.412 36.4 123.9-104.2 0.7 4.5 25.5 31.8 52 53 A W - 0 0 8 -6,-1.3 2,-0.1 1,-0.1 5,-0.1 -0.329 63.7-110.3 -67.8 143.9 6.5 22.3 32.6 53 54 A L > - 0 0 13 3,-0.2 3,-2.5 1,-0.1 -39,-0.2 -0.394 41.8 -83.2 -75.5 147.1 6.4 19.4 30.2 54 55 A K T 3 S+ 0 0 76 -41,-2.2 -1,-0.1 1,-0.3 -40,-0.1 -0.229 116.4 9.9 -50.5 122.9 4.7 16.1 30.9 55 56 A G T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 -39,-0.0 -2,-0.1 0.511 106.4 93.8 84.0 6.6 6.9 13.9 32.9 56 57 A S < + 0 0 42 -3,-2.5 -3,-0.2 2,-0.0 2,-0.1 -0.104 50.2 160.5-122.3 36.0 9.5 16.6 33.7 57 58 A L + 0 0 20 -5,-0.1 46,-0.4 -10,-0.0 2,-0.3 -0.362 8.0 145.2 -62.8 129.1 8.2 17.9 37.1 58 59 A E - 0 0 76 -2,-0.1 -11,-0.5 44,-0.1 2,-0.3 -0.927 34.6-138.3-165.0 141.5 10.8 19.8 39.2 59 60 A I E - b 0 104A 0 44,-2.5 46,-3.0 -2,-0.3 2,-0.4 -0.809 6.3-162.9-107.1 145.7 10.7 22.8 41.6 60 61 A D E - b 0 105A 33 -2,-0.3 -16,-2.5 44,-0.2 2,-0.7 -0.834 9.0-173.6-130.3 94.0 13.1 25.7 41.8 61 62 A V E -Ab 43 106A 0 44,-2.0 46,-1.3 -2,-0.4 2,-0.6 -0.793 8.7-157.6 -92.1 116.7 12.9 27.7 45.1 62 63 A F E -Ab 42 107A 11 -20,-2.2 -20,-1.5 -2,-0.7 2,-0.4 -0.820 5.6-147.8 -98.7 122.8 15.0 30.8 45.2 63 64 A L E -Ab 41 108A 0 44,-2.9 46,-3.5 -2,-0.6 2,-0.5 -0.735 16.2-136.4 -87.5 132.5 16.0 32.2 48.6 64 65 A L E + b 0 109A 24 -24,-3.0 46,-0.3 -2,-0.4 -24,-0.3 -0.810 34.1 157.3 -97.6 124.3 16.3 36.0 48.7 65 66 A F - 0 0 4 44,-2.6 5,-0.1 -2,-0.5 2,-0.0 -0.965 29.5-153.4-144.4 156.4 19.3 37.6 50.6 66 67 A P + 0 0 81 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 0.250 64.1 57.1 -97.4-131.7 21.5 40.7 50.8 67 68 A E S S- 0 0 119 1,-0.1 3,-0.1 43,-0.0 -2,-0.1 0.187 91.0 -84.9 39.6-152.8 25.1 40.6 52.0 68 69 A E S S+ 0 0 147 1,-0.2 2,-0.9 0, 0.0 -1,-0.1 0.757 100.2 56.9-116.6 -58.5 27.9 38.5 50.5 69 70 A F + 0 0 136 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 -0.728 43.9 144.3 -91.3 108.2 28.1 34.9 51.8 70 71 A S + 0 0 15 -2,-0.9 4,-0.4 -3,-0.1 -1,-0.2 -0.094 48.0 99.7-123.2 24.5 24.8 33.0 51.3 71 72 A K S > S+ 0 0 108 3,-0.1 4,-1.5 2,-0.1 -1,-0.1 0.921 91.6 30.1 -78.3 -47.2 26.6 29.8 50.7 72 73 A E H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.847 112.9 59.2 -83.9 -35.6 26.2 28.4 54.1 73 74 A E H > S+ 0 0 80 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.831 113.3 43.8 -62.8 -27.2 22.9 30.0 55.2 74 75 A L H > S+ 0 0 0 -4,-0.4 4,-3.6 2,-0.2 5,-0.4 0.900 104.6 60.0 -79.5 -45.3 21.5 28.2 52.1 75 76 A R H X S+ 0 0 54 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.888 111.9 45.4 -47.3 -38.3 23.3 24.9 52.9 76 77 A E H X S+ 0 0 106 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.998 113.6 43.5 -68.6 -70.2 21.3 25.2 56.0 77 78 A R H X S+ 0 0 33 -4,-2.1 4,-0.7 1,-0.2 5,-0.2 0.878 119.2 46.3 -42.7 -49.6 17.8 26.1 54.7 78 79 A G H >X S+ 0 0 0 -4,-3.6 4,-2.7 1,-0.2 3,-1.8 0.972 113.0 45.6 -59.3 -59.2 18.2 23.6 51.9 79 80 A L H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.780 115.1 52.0 -55.7 -27.7 19.5 20.7 54.0 80 81 A E H 3< S+ 0 0 83 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.550 116.8 35.4 -89.6 -8.1 16.7 21.5 56.5 81 82 A I H << S+ 0 0 0 -3,-1.8 2,-0.6 -4,-0.7 -2,-0.2 0.648 100.1 80.1-115.4 -24.9 13.8 21.5 54.0 82 83 A G S < S- 0 0 13 -4,-2.7 17,-0.2 -5,-0.2 -1,-0.1 -0.761 70.4-143.7 -90.6 122.9 14.8 18.8 51.5 83 84 A K S S+ 0 0 115 15,-0.8 2,-0.3 -2,-0.6 16,-0.2 0.837 94.4 18.7 -48.5 -36.1 14.0 15.3 52.7 84 85 A A E S-C 98 0A 54 14,-1.2 14,-1.0 -3,-0.0 2,-0.4 -0.985 80.8-154.6-136.4 144.1 17.2 14.2 51.0 85 86 A V E +C 97 0A 49 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.970 18.2 164.3-131.6 139.9 20.1 16.5 49.9 86 87 A L E -C 96 0A 118 10,-1.5 10,-0.9 -2,-0.4 2,-0.4 -0.774 30.3-124.4-133.2 176.2 22.8 16.4 47.3 87 88 A D E -C 95 0A 68 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.881 23.1-177.8-139.0 109.4 25.0 19.2 46.1 88 89 A S E C 94 0A 51 6,-0.7 6,-0.8 -2,-0.4 8,-0.0 -0.417 360.0 360.0 -92.2 172.1 25.5 20.3 42.5 89 90 A Y 0 0 188 4,-0.2 -1,-0.2 -2,-0.1 6,-0.0 0.076 360.0 360.0-145.3 360.0 27.7 23.0 41.2 90 ! 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 91 96 A E 0 0 181 0, 0.0 -20,-0.0 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 19.5 28.7 31.8 43.5 92 97 A H + 0 0 136 1,-0.2 -4,-0.1 -4,-0.0 0, 0.0 -0.617 360.0 110.9 133.3 -68.2 27.5 28.4 42.2 93 98 A P + 0 0 25 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.104 37.7 160.5 -44.7 115.2 26.7 25.9 45.1 94 99 A Y E -C 88 0A 55 -6,-0.8 -6,-0.7 13,-0.1 2,-0.6 -0.758 39.4-105.2-125.8 173.6 22.9 25.2 45.4 95 100 A V E -CD 87 106A 3 11,-2.1 11,-2.0 -2,-0.2 2,-0.7 -0.882 25.7-169.2-111.9 114.1 21.0 22.3 47.0 96 101 A H E +CD 86 105A 34 -10,-0.9 -10,-1.5 -2,-0.6 9,-0.2 -0.855 29.4 135.9-100.9 115.6 19.3 19.6 45.0 97 102 A G E -CD 85 104A 5 7,-2.8 7,-2.5 -2,-0.7 2,-0.3 -0.489 48.0-109.2-133.3-156.3 17.1 17.4 46.9 98 103 A V E -CD 84 103A 50 -14,-1.0 -14,-1.2 5,-0.3 -15,-0.8 -0.971 22.0-170.5-142.0 145.6 13.7 15.7 46.8 99 104 A V E > S- D 0 102A 0 3,-1.7 3,-1.6 -2,-0.3 -69,-0.1 -0.951 78.2 -10.9-144.1 119.0 10.7 16.7 49.0 100 105 A K T 3 S- 0 0 86 -2,-0.4 -74,-0.2 1,-0.3 3,-0.1 0.816 132.6 -53.5 59.9 29.7 7.7 14.5 49.0 101 106 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -75,-0.1 -1,-0.3 0.453 113.2 114.4 87.2 1.5 9.1 12.6 46.1 102 107 A V E < S- D 0 99A 4 -3,-1.6 -3,-1.7 -80,-0.1 -1,-0.2 -0.899 70.9-111.5-113.0 136.0 9.7 15.6 43.8 103 108 A E E - D 0 98A 103 -46,-0.4 -44,-2.5 -2,-0.4 2,-0.4 -0.378 39.5-171.6 -62.0 129.4 13.1 17.0 42.6 104 109 A V E -bD 59 97A 2 -7,-2.5 -7,-2.8 -46,-0.2 2,-0.5 -0.986 16.5-159.4-132.4 127.1 13.8 20.4 44.2 105 110 A D E -bD 60 96A 22 -46,-3.0 -44,-2.0 -2,-0.4 2,-0.6 -0.902 7.7-164.6-104.1 129.2 16.5 22.9 43.5 106 111 A V E +bD 61 95A 4 -11,-2.0 -11,-2.1 -2,-0.5 -44,-0.2 -0.882 14.0 178.0-117.2 100.1 17.2 25.4 46.3 107 112 A V E -b 62 0A 13 -46,-1.3 -44,-2.9 -2,-0.6 2,-0.4 -0.816 21.4-138.3-106.2 141.1 19.2 28.3 45.1 108 113 A P E +b 63 0A 20 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.815 35.1 151.5 -97.8 134.2 20.3 31.4 47.1 109 114 A C E -b 64 0A 2 -46,-3.5 -44,-2.6 -2,-0.4 2,-0.5 -0.873 47.5 -83.8-147.5 178.7 20.1 34.8 45.5 110 115 A Y - 0 0 31 -46,-0.3 2,-1.0 -2,-0.3 -46,-0.1 -0.804 32.5-126.9 -94.7 123.7 19.6 38.4 46.5 111 116 A K - 0 0 125 -2,-0.5 2,-0.4 1,-0.1 -47,-0.0 -0.584 47.4-146.8 -63.2 107.5 16.1 39.7 46.9 112 117 A L - 0 0 39 -2,-1.0 2,-2.7 11,-0.2 5,-0.1 -0.704 22.9-132.5 -97.2 140.8 16.8 42.5 44.5 113 118 A K S S- 0 0 193 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.429 79.8 -64.6 -76.1 61.1 15.5 46.0 44.5 114 119 A E S S- 0 0 154 -2,-2.7 -1,-0.2 0, 0.0 13,-0.0 0.311 101.3 -10.9 61.2 153.6 14.8 45.6 40.8 115 120 A P S S+ 0 0 57 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 0.580 83.7 85.8 -16.0 154.5 17.9 45.2 38.5 116 121 A K - 0 0 175 -4,-0.0 -3,-0.1 2,-0.0 2,-0.1 0.651 59.8-167.5 101.6 89.1 21.6 45.4 38.8 117 122 A N - 0 0 43 -5,-0.1 2,-0.5 1,-0.0 7,-0.0 -0.076 22.1-101.4 -88.3-170.9 22.7 42.1 40.1 118 123 A I S S- 0 0 79 1,-0.1 5,-0.3 -2,-0.1 4,-0.2 -0.981 96.2 -25.6-124.4 119.0 25.9 40.6 41.6 119 124 A K S S- 0 0 171 -2,-0.5 3,-0.2 1,-0.1 -1,-0.1 0.884 104.1-132.9 41.3 35.4 28.3 38.5 39.4 120 125 A S S S+ 0 0 51 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.349 70.5 99.4 -20.7 138.7 24.8 38.2 37.9 121 126 A A S >> S+ 0 0 58 -3,-0.1 4,-0.6 0, 0.0 3,-0.5 -0.331 90.2 31.2 175.0 -74.2 23.6 34.7 36.9 122 127 A V T 34 S+ 0 0 46 -3,-0.2 3,-0.5 1,-0.2 -2,-0.1 0.790 113.0 66.7 -75.3 -28.9 21.3 33.3 39.6 123 128 A D T 34 S+ 0 0 9 -5,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.683 93.2 58.1 -67.5 -20.3 20.1 36.8 40.4 124 129 A R T X> S+ 0 0 34 -3,-0.5 4,-2.4 1,-0.2 3,-0.8 0.824 87.1 78.1 -78.3 -32.0 18.4 37.3 37.0 125 130 A T H 3X S+ 0 0 38 -4,-0.6 4,-2.1 -3,-0.5 -1,-0.2 0.815 88.4 55.5 -46.1 -40.8 16.1 34.3 37.5 126 131 A P H 3> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.935 111.7 44.3 -62.0 -42.2 13.8 36.1 39.8 127 132 A F H <> S+ 0 0 18 -3,-0.8 4,-2.7 -4,-0.5 5,-0.2 0.880 108.0 56.6 -67.3 -41.2 13.2 38.8 37.2 128 133 A H H X S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.916 110.6 47.3 -55.8 -42.4 12.9 36.3 34.4 129 134 A H H X S+ 0 0 11 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.922 110.8 49.2 -66.1 -44.9 10.1 34.8 36.4 130 135 A K H X S+ 0 0 126 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.851 112.3 49.7 -63.8 -33.2 8.4 38.2 37.1 131 136 A W H < S+ 0 0 43 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.798 117.1 39.7 -75.8 -29.9 8.6 39.1 33.4 132 137 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.777 99.3 72.9 -89.9 -30.7 7.0 35.8 32.3 133 138 A E H X S+ 0 0 84 -4,-2.4 4,-0.6 1,-0.2 -2,-0.1 0.876 105.5 34.6 -54.6 -46.5 4.4 35.2 34.9 134 139 A G H < S+ 0 0 62 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.789 121.7 46.7 -81.6 -26.7 1.9 37.9 33.8 135 140 A R H 4 S+ 0 0 123 -4,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.721 112.0 46.4 -88.3 -23.5 2.6 37.5 30.0 136 141 A I H >< S+ 0 0 1 -4,-2.4 3,-2.4 2,-0.1 -1,-0.1 0.630 77.0 127.9 -95.3 -14.4 2.5 33.7 29.7 137 142 A K T 3< S+ 0 0 128 -4,-0.6 -87,-0.0 -5,-0.3 -3,-0.0 -0.075 80.3 12.5 -41.4 135.9 -0.7 33.2 31.7 138 143 A G T 3 S+ 0 0 64 1,-0.1 3,-0.3 4,-0.0 -1,-0.3 0.070 111.7 80.3 83.5 -27.7 -3.2 31.1 29.7 139 144 A K <> + 0 0 77 -3,-2.4 4,-1.8 1,-0.2 3,-0.2 0.126 54.8 119.2 -98.1 19.7 -0.6 30.1 27.0 140 145 A E H >> S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.944 76.8 43.4 -47.4 -60.5 0.8 27.4 29.2 141 146 A N H 3> S+ 0 0 58 -3,-0.3 4,-1.6 1,-0.3 -1,-0.2 0.793 104.2 64.0 -60.2 -30.8 -0.0 24.5 26.8 142 147 A E H >> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.954 107.0 45.8 -55.9 -45.9 1.2 26.5 23.9 143 148 A V H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.6 0.922 113.2 52.0 -64.8 -46.1 11.5 20.2 20.5 151 156 A K H ><5S+ 0 0 105 -4,-3.5 3,-1.9 1,-0.3 -1,-0.2 0.888 104.0 55.9 -60.7 -41.4 12.0 17.2 22.9 152 157 A A H 3<5S+ 0 0 11 -4,-1.8 100,-0.7 1,-0.3 -1,-0.3 0.823 111.4 46.2 -61.7 -27.4 10.7 14.7 20.4 153 158 A N T <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 -0.010 116.8-114.2-104.8 28.8 13.3 15.9 18.0 154 159 A G T < 5S+ 0 0 55 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.651 89.3 104.6 49.7 25.6 16.1 15.9 20.5 155 160 A I < + 0 0 4 -5,-2.5 10,-2.5 -6,-0.1 2,-0.5 0.056 44.6 107.4-123.6 29.1 16.6 19.6 20.5 156 161 A Y B +e 165 0B 49 -6,-0.4 10,-0.2 8,-0.2 11,-0.1 -0.910 59.2 50.0-106.8 130.3 15.1 20.7 23.8 157 162 A G - 0 0 7 8,-3.3 7,-2.3 -2,-0.5 9,-0.3 0.059 65.9-129.9 116.3 133.2 17.4 21.8 26.6 158 163 A A + 0 0 23 5,-0.2 8,-0.1 7,-0.1 -1,-0.1 0.439 65.8 121.1 -92.7 -1.2 20.3 24.2 26.7 159 164 A E S >> S- 0 0 91 1,-0.1 4,-2.9 4,-0.1 3,-2.2 -0.303 78.6-110.1 -62.0 148.2 22.7 21.8 28.4 160 165 A Y T 34 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.2 126,-0.1 0.718 116.0 66.0 -54.2 -21.5 25.9 21.2 26.4 161 166 A K T 34 S+ 0 0 122 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.819 119.7 21.2 -71.0 -26.2 24.8 17.6 25.7 162 167 A V T <4 S- 0 0 35 -3,-2.2 -2,-0.2 -7,-0.0 64,-0.2 0.770 76.9-161.9-108.2 -37.2 21.9 19.0 23.7 163 168 A R < + 0 0 64 -4,-2.9 63,-2.3 1,-0.1 66,-0.2 0.901 55.4 116.2 48.8 46.0 22.8 22.5 22.6 164 169 A G - 0 0 1 -7,-2.3 2,-0.6 -5,-0.3 -8,-0.2 0.077 69.8 -34.4-114.3-137.2 19.2 23.1 21.9 165 170 A F B -e 156 0B 0 -10,-2.5 -8,-3.3 60,-0.1 -7,-0.1 -0.830 51.1-147.0 -97.4 118.5 16.3 25.3 23.2 166 171 A S > - 0 0 24 -2,-0.6 4,-1.4 55,-0.3 -9,-0.1 -0.140 26.6-111.6 -69.0 176.8 16.2 26.1 26.9 167 172 A G H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.1 5,-0.3 0.939 115.7 55.9 -77.3 -48.0 12.8 26.4 28.5 168 173 A Y H > S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.936 107.3 52.5 -45.9 -51.7 13.0 30.1 29.1 169 174 A L H > S+ 0 0 1 52,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.928 106.4 53.1 -50.4 -51.7 13.6 30.5 25.4 170 175 A C H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.892 111.2 46.0 -52.1 -45.3 10.5 28.5 24.7 171 176 A E H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.873 110.9 51.7 -69.5 -36.8 8.4 30.7 26.8 172 177 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.960 110.2 50.2 -63.7 -46.7 9.9 33.9 25.4 173 178 A L H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.899 110.5 48.9 -56.6 -44.5 9.1 32.6 21.9 174 179 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.873 111.1 50.0 -65.8 -35.6 5.6 31.8 22.7 175 180 A V H < S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 111.4 50.2 -67.1 -41.5 5.1 35.2 24.3 176 181 A F H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 124.9 24.7 -64.0 -40.0 6.5 36.9 21.2 177 182 A Y H < S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.618 98.5-125.9-103.3 -17.6 4.3 35.0 18.7 178 183 A G S < S+ 0 0 19 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.1 0.040 76.5 24.9 97.8 -29.5 1.3 34.1 20.7 179 184 A S S > S- 0 0 27 -6,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.996 77.6-104.8-163.3 162.2 1.2 30.3 20.1 180 185 A F H >> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 3,-0.8 0.972 119.6 48.1 -50.8 -61.5 3.1 27.2 19.1 181 186 A L H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.873 110.4 50.9 -48.0 -47.9 1.7 27.2 15.6 182 187 A E H 3> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.846 109.5 53.6 -63.0 -30.8 2.4 30.9 15.1 183 188 A T H < S+ 0 0 46 -4,-1.7 3,-1.5 -3,-0.2 -1,-0.2 0.751 107.1 67.5 -82.3 -24.5 7.4 32.3 11.5 187 192 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.660 83.9 75.0 -69.0 -15.0 10.4 30.1 12.3 188 193 A R T 3< S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.1 0.730 99.0 44.9 -69.2 -20.1 10.4 28.8 8.8 189 194 A R T < S+ 0 0 156 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.263 85.4 124.9-106.8 11.3 11.9 32.2 7.8 190 195 A W < - 0 0 16 -3,-1.2 2,-0.2 40,-0.1 -3,-0.0 -0.430 39.9-167.9 -70.2 144.1 14.5 32.4 10.5 191 196 A T > - 0 0 73 -2,-0.1 3,-1.3 17,-0.0 -2,-0.1 -0.752 37.5-102.8-125.9 174.7 18.1 32.8 9.5 192 197 A R T 3 S+ 0 0 152 1,-0.3 17,-0.8 -2,-0.2 -2,-0.0 0.534 123.1 50.1 -76.0 -5.3 21.4 32.6 11.2 193 198 A R T 3 S+ 0 0 125 15,-0.2 13,-4.1 16,-0.1 2,-0.4 0.167 85.0 128.9-115.3 14.7 21.6 36.4 11.4 194 199 A T E < -F 205 0C 11 -3,-1.3 16,-2.2 11,-0.2 2,-0.6 -0.580 40.8-163.1 -80.1 126.4 18.1 36.7 12.9 195 200 A V E -Fg 204 210C 9 9,-3.2 9,-2.3 -2,-0.4 2,-1.0 -0.930 3.8-166.1-114.1 113.8 17.5 38.8 16.0 196 201 A I E -Fg 203 211C 0 14,-1.1 2,-1.2 -2,-0.6 16,-0.8 -0.785 8.0-173.3 -99.2 93.5 14.3 38.3 18.0 197 202 A D E > > -Fg 202 212C 7 5,-1.8 5,-2.1 -2,-1.0 3,-0.7 -0.684 5.3-179.3 -92.6 89.6 14.1 41.2 20.4 198 203 A V G > 5S+ 0 0 13 -2,-1.2 3,-1.5 14,-0.6 -1,-0.2 0.853 76.0 60.0 -52.9 -47.2 11.0 40.5 22.6 199 204 A A G 3 5S+ 0 0 64 1,-0.3 -1,-0.2 13,-0.2 -2,-0.1 0.857 115.5 34.7 -53.8 -39.3 11.2 43.7 24.7 200 205 A K G < 5S- 0 0 139 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.301 108.2-125.8 -99.7 9.0 10.8 45.8 21.6 201 206 A G T < 5 + 0 0 55 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.2 0.895 69.0 117.1 47.7 48.5 8.5 43.4 20.0 202 207 A E E < -F 197 0C 81 -5,-2.1 -5,-1.8 2,-0.0 2,-0.4 -0.925 55.7-145.4-143.3 167.6 10.6 43.2 16.8 203 208 A V E +F 196 0C 75 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.997 30.3 156.7-133.3 125.7 12.8 41.1 14.6 204 209 A R E -F 195 0C 110 -9,-2.3 -9,-3.2 -2,-0.4 2,-0.4 -0.750 41.7 -88.1-136.8-173.2 15.8 42.4 12.8 205 210 A K E +F 194 0C 160 -2,-0.2 -11,-0.2 -11,-0.2 2,-0.2 -0.799 50.5 150.6-103.6 142.5 19.1 41.3 11.3 206 211 A G - 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0 0 36 -2,-0.3 2,-0.3 -129,-0.1 -129,-0.2 -0.931 20.6-152.9-177.3 160.7 42.6 3.9 25.3 408 413 A E E -J 277 0D 55 -131,-1.7 -131,-2.7 -2,-0.3 2,-0.6 -0.994 19.0-127.0-150.2 143.6 42.2 1.6 22.3 409 414 A I E -J 276 0D 40 -2,-0.3 2,-0.4 -133,-0.2 -133,-0.2 -0.824 33.1-167.5 -90.0 119.8 41.3 2.1 18.7 410 415 A I E +J 275 0D 1 -135,-3.0 -135,-2.8 -2,-0.6 2,-0.2 -0.936 15.9 154.3-118.0 134.9 38.4 -0.2 17.8 411 416 A S E >> +J 274 0D 52 -2,-0.4 4,-0.6 -137,-0.3 3,-0.5 -0.819 40.9 30.5-140.0 178.2 37.1 -1.1 14.4 412 417 A G H 3> S- 0 0 34 -139,-0.7 4,-1.3 -2,-0.2 3,-0.3 -0.311 117.2 -24.1 70.6-150.7 35.2 -4.0 12.7 413 418 A E H 3> S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.853 134.1 63.2 -65.7 -37.6 32.7 -6.2 14.4 414 419 A K H <> S+ 0 0 95 -3,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.877 102.6 51.2 -54.8 -38.2 34.3 -5.5 17.8 415 420 A L H >< S+ 0 0 0 -4,-0.6 3,-0.8 -3,-0.3 5,-0.4 0.907 106.6 54.1 -65.6 -41.1 33.2 -1.9 17.2 416 421 A F H 3< S+ 0 0 9 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.803 100.6 60.1 -64.5 -28.9 29.7 -3.0 16.4 417 422 A K H 3< S+ 0 0 153 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.783 91.1 84.9 -70.6 -25.7 29.5 -4.9 19.7 418 423 A E S << S- 0 0 31 -3,-0.8 2,-1.2 -4,-0.8 3,-0.5 -0.201 99.4 -99.9 -69.4 166.5 30.1 -1.7 21.7 419 424 A P S S+ 0 0 64 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.320 96.4 97.1 -88.0 56.3 27.1 0.5 22.5 420 425 A V > + 0 0 0 -2,-1.2 4,-3.6 -5,-0.4 5,-0.2 0.200 43.4 109.9-124.2 12.0 27.7 3.1 19.7 421 426 A T H > S+ 0 0 46 -3,-0.5 4,-3.3 2,-0.2 5,-0.3 0.950 77.7 49.9 -53.5 -58.1 25.2 1.7 17.1 422 427 A A H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 117.1 42.2 -48.6 -50.1 22.7 4.5 17.3 423 428 A E H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 113.7 52.9 -64.5 -45.1 25.5 7.0 16.9 424 429 A L H X S+ 0 0 0 -4,-3.6 4,-1.8 2,-0.2 -2,-0.2 0.940 113.0 42.9 -54.4 -52.6 27.2 4.9 14.2 425 430 A C H X>S+ 0 0 0 -4,-3.3 5,-2.3 1,-0.2 4,-0.7 0.943 114.4 49.8 -59.4 -51.8 24.0 4.7 12.1 426 431 A E H ><5S+ 0 0 136 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.865 108.9 54.1 -55.9 -39.3 23.1 8.4 12.6 427 432 A M H 3<5S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.8 41.5 -64.3 -41.0 26.7 9.3 11.6 428 433 A M H 3<5S- 0 0 12 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.418 113.8-115.6 -88.2 0.9 26.5 7.4 8.3 429 434 A G T <<5 + 0 0 57 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.824 49.5 178.3 69.2 33.5 22.9 8.5 7.6 430 435 A V < - 0 0 24 -5,-2.3 2,-0.2 -6,-0.1 -1,-0.2 -0.377 8.9-158.5 -68.9 142.5 21.4 5.0 7.8 431 436 A K 0 0 173 -2,-0.1 -1,-0.1 -176,-0.0 -5,-0.0 -0.694 360.0 360.0-119.1 175.0 17.7 4.5 7.4 432 437 A D 0 0 185 -2,-0.2 -176,-0.0 -177,-0.0 -2,-0.0 0.191 360.0 360.0 -60.3 360.0 15.0 1.9 8.4