==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUL-08 3DU5 . COMPND 2 MOLECULE: TELOMERASE REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRIBOLIUM CASTANEUM; . AUTHOR E.SKORDALAKES . 1192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 83 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 417 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 0 0 0 6 1 3 1 2 0 4 6 4 1 1 0 0 0 2 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 0 PARALLEL BRIDGES PER LADDER . 7 3 7 4 2 2 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 . 5 3 2 1 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 0 185 0, 0.0 2,-0.6 0, 0.0 424,-0.2 0.000 360.0 360.0 360.0 -17.9 83.7 -19.3 23.5 2 2 A V + 0 0 77 1,-0.1 420,-0.0 424,-0.0 424,-0.0 -0.902 360.0 150.6-107.2 110.9 81.4 -18.1 20.8 3 3 A H + 0 0 45 -2,-0.6 85,-2.9 85,-0.1 86,-0.4 0.528 45.7 93.4-112.5 -13.0 83.1 -17.2 17.5 4 4 A Y E -A 87 0A 6 83,-0.2 2,-0.5 418,-0.1 83,-0.2 -0.611 51.3-163.1 -91.5 143.8 80.3 -17.9 15.0 5 5 A Y E -A 86 0A 14 81,-2.5 81,-1.5 -2,-0.3 2,-0.1 -0.926 27.3-127.3-123.6 105.2 77.8 -15.5 13.5 6 6 A R E -A 85 0A 101 -2,-0.5 79,-0.3 79,-0.2 5,-0.2 -0.276 10.2-157.4 -55.9 117.8 74.8 -17.3 11.9 7 7 A L + 0 0 0 77,-1.9 -1,-0.2 -2,-0.1 78,-0.2 0.588 56.5 124.5 -69.7 -10.9 74.3 -16.1 8.4 8 8 A S > - 0 0 14 76,-0.5 3,-1.1 1,-0.2 4,-0.1 -0.254 68.2-134.4 -52.8 133.6 70.7 -17.4 8.8 9 9 A L G > S+ 0 0 7 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.459 93.1 84.1 -70.8 0.4 68.1 -14.6 8.2 10 10 A K G 3 S+ 0 0 146 1,-0.2 -1,-0.3 122,-0.0 -2,-0.1 0.392 76.5 65.5 -88.9 3.4 66.3 -15.8 11.3 11 11 A S G < S+ 0 0 43 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.533 70.0 126.2-101.7 -10.2 68.5 -13.7 13.7 12 12 A R < - 0 0 131 -3,-0.7 2,-0.3 -4,-0.1 113,-0.2 -0.094 47.7-146.5 -50.3 144.7 67.4 -10.2 12.5 13 13 A Q - 0 0 124 111,-3.1 2,-0.8 3,-0.0 -1,-0.1 -0.868 25.4 -97.0-118.8 152.9 66.1 -7.9 15.1 14 14 A K - 0 0 199 -2,-0.3 111,-0.1 1,-0.1 112,-0.1 -0.558 51.1-127.0 -67.2 105.6 63.4 -5.1 15.1 15 15 A A - 0 0 29 -2,-0.8 -1,-0.1 110,-0.4 110,-0.0 -0.269 19.8-123.8 -61.9 137.8 65.6 -2.1 14.5 16 16 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.233 16.3-117.9 -73.2 167.9 65.2 0.8 17.0 17 17 A K S S+ 0 0 145 1,-0.3 2,-0.3 18,-0.0 18,-0.1 0.830 98.6 3.7 -73.4 -33.9 64.3 4.4 16.0 18 18 A I S S- 0 0 119 13,-0.1 -1,-0.3 14,-0.0 2,-0.2 -0.989 78.8-114.1-149.0 147.0 67.6 5.6 17.5 19 19 A V - 0 0 11 -2,-0.3 9,-0.1 -3,-0.1 0, 0.0 -0.551 33.0-125.9 -78.8 149.0 70.7 3.9 19.0 20 20 A N > - 0 0 110 -2,-0.2 3,-0.7 1,-0.0 -1,-0.1 0.215 42.9 -73.6 -75.5-156.8 71.5 4.5 22.7 21 21 A S T 3 S+ 0 0 125 1,-0.2 4,-0.1 4,-0.0 -2,-0.0 0.668 120.9 71.2 -81.3 -17.9 74.8 5.7 24.2 22 22 A K T 3 S+ 0 0 151 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.666 96.7 61.0 -73.0 -16.2 76.7 2.5 23.7 23 23 A Y S < S- 0 0 54 -3,-0.7 91,-0.0 1,-0.0 -4,-0.0 -0.887 93.9-102.0-114.7 145.3 76.7 3.1 19.9 24 24 A N > - 0 0 51 -2,-0.4 3,-1.1 1,-0.1 4,-0.3 -0.239 33.4-117.3 -56.0 147.8 78.2 5.9 17.9 25 25 A S T >> S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.644 104.5 80.4 -70.6 -14.7 75.7 8.5 16.7 26 26 A I H >> S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 3,-1.0 0.912 82.2 64.3 -52.7 -45.5 76.5 7.6 13.0 27 27 A L H <> S+ 0 0 0 -3,-1.1 4,-3.1 1,-0.3 -1,-0.2 0.732 91.5 65.6 -54.9 -27.2 74.2 4.6 13.3 28 28 A N H <> S+ 0 0 36 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.3 0.928 100.9 47.6 -59.7 -49.9 71.2 6.9 13.8 29 29 A I H X S+ 0 0 101 -4,-1.4 4,-1.7 1,-0.2 3,-1.4 0.874 104.2 55.6 -68.2 -39.6 63.0 5.6 4.3 37 37 A C H 3< S+ 0 0 9 -4,-1.9 4,-0.5 1,-0.3 -1,-0.2 0.814 98.6 61.8 -64.2 -32.0 64.1 2.7 2.1 38 38 A K T 3< S+ 0 0 53 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.487 109.0 44.3 -73.4 -2.8 61.3 0.5 3.4 39 39 A K T <4 S+ 0 0 162 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.2 0.792 100.8 60.5-106.5 -46.1 58.8 3.1 2.0 40 40 A H S < S+ 0 0 137 -4,-1.7 -2,-0.1 2,-0.0 -3,-0.1 0.582 81.5 135.3 -58.2 -9.6 60.2 3.8 -1.5 41 41 A K + 0 0 110 -4,-0.5 2,-0.3 2,-0.1 -3,-0.1 -0.066 29.7 175.2 -45.2 133.3 59.7 0.1 -2.1 42 42 A T - 0 0 58 2,-0.4 -2,-0.0 1,-0.0 -1,-0.0 -0.970 48.6-108.2-136.6 154.9 58.1 -0.9 -5.4 43 43 A K S S+ 0 0 160 -2,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.599 89.3 114.2 -54.3 -11.0 57.4 -4.3 -7.0 44 44 A K S S- 0 0 141 1,-0.1 -2,-0.4 0, 0.0 0, 0.0 -0.402 83.5 -91.3 -62.4 138.9 60.2 -3.2 -9.3 45 45 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.230 49.5-177.8 -60.5 138.0 63.3 -5.4 -8.9 46 46 A V - 0 0 27 -3,-0.1 2,-0.5 -5,-0.0 3,-0.1 -0.876 24.0-135.5-130.7 163.0 66.0 -4.4 -6.4 47 47 A Q >> - 0 0 121 -2,-0.3 3,-3.6 549,-0.1 4,-1.6 -0.965 9.4-149.2-122.9 113.8 69.4 -5.6 -5.2 48 48 A I H 3> S+ 0 0 0 -2,-0.5 4,-2.0 1,-0.3 5,-0.2 0.829 100.5 62.4 -47.7 -35.2 69.9 -5.7 -1.5 49 49 A L H 34 S+ 0 0 49 547,-0.6 -1,-0.3 1,-0.2 26,-0.1 0.478 109.5 42.0 -72.1 -0.7 73.6 -5.0 -2.2 50 50 A A H <> S+ 0 0 49 -3,-3.6 4,-0.8 2,-0.1 -2,-0.2 0.672 108.5 54.4-113.9 -33.4 72.5 -1.7 -3.7 51 51 A L H >X S+ 0 0 21 -4,-1.6 4,-1.6 1,-0.2 3,-1.1 0.908 103.4 57.9 -66.4 -43.9 69.9 -0.5 -1.3 52 52 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.843 97.9 61.8 -52.9 -36.6 72.4 -0.8 1.6 53 53 A Q H 34 S+ 0 0 92 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.2 0.851 107.9 43.1 -58.6 -36.7 74.6 1.6 -0.3 54 54 A E H << S+ 0 0 137 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.782 121.1 43.0 -74.8 -29.6 71.7 4.1 0.0 55 55 A I H < S+ 0 0 0 -4,-1.6 -22,-0.2 1,-0.2 -2,-0.2 0.976 106.2 52.9 -85.4 -65.8 71.2 3.1 3.7 56 56 A I S < S- 0 0 2 -4,-2.4 -1,-0.2 -23,-0.1 5,-0.1 -0.667 90.3-128.9 -75.7 114.9 74.6 2.8 5.4 57 57 A P > - 0 0 25 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.362 8.1-128.4 -66.6 142.8 76.4 6.1 4.6 58 58 A K G >> S+ 0 0 101 1,-0.3 4,-1.8 -5,-0.2 3,-0.8 0.762 104.9 77.8 -61.3 -24.0 80.0 5.7 3.2 59 59 A S G 34 S+ 0 0 83 1,-0.2 43,-0.4 2,-0.2 -1,-0.3 0.557 87.6 62.3 -60.8 -7.4 81.1 8.0 6.0 60 60 A Y G <4 S+ 0 0 2 -3,-1.9 -1,-0.2 41,-0.1 -2,-0.2 0.848 107.4 36.2 -87.1 -41.1 80.8 4.9 8.2 61 61 A F T <4 S- 0 0 2 -3,-0.8 2,-1.5 -4,-0.4 -2,-0.2 0.745 88.6-152.7 -85.6 -26.7 83.5 2.7 6.5 62 62 A G < + 0 0 27 -4,-1.8 2,-0.3 38,-0.1 -1,-0.2 -0.545 69.4 39.0 88.7 -70.8 85.8 5.6 5.7 63 63 A T S > S- 0 0 51 -2,-1.5 4,-2.0 33,-0.2 3,-0.4 -0.840 85.0-114.2-114.8 152.5 87.5 4.0 2.6 64 64 A T H > S+ 0 0 68 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.826 115.1 60.2 -46.2 -39.2 86.1 1.9 -0.2 65 65 A T H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.948 105.7 44.2 -58.1 -54.3 88.3 -1.0 1.1 66 66 A N H > S+ 0 0 0 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.886 113.4 52.9 -57.3 -41.6 86.5 -1.1 4.5 67 67 A L H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.892 112.0 45.1 -58.8 -43.0 83.2 -0.8 2.7 68 68 A K H X S+ 0 0 132 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.864 106.1 59.1 -72.4 -37.6 84.0 -3.7 0.5 69 69 A R H < S+ 0 0 50 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.860 113.8 39.4 -56.2 -36.8 85.3 -5.9 3.4 70 70 A F H >X S+ 0 0 0 -4,-1.4 3,-1.4 2,-0.2 4,-1.2 0.911 107.5 58.4 -81.7 -47.8 81.9 -5.6 5.0 71 71 A Y H 3X S+ 0 0 15 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.620 96.7 67.5 -64.8 -11.2 79.6 -5.9 1.9 72 72 A K H 3X S+ 0 0 134 -4,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.884 97.3 51.2 -67.7 -42.8 81.3 -9.2 1.4 73 73 A V H <> S+ 0 0 6 -3,-1.4 4,-1.6 -4,-0.5 -2,-0.2 0.865 107.9 53.7 -61.9 -36.8 79.6 -10.5 4.6 74 74 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 3,-0.3 0.938 105.9 51.7 -61.2 -47.7 76.3 -9.2 3.1 75 75 A E H X S+ 0 0 59 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.810 104.8 58.2 -59.5 -31.5 76.9 -11.2 -0.1 76 76 A K H < S+ 0 0 29 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.911 107.7 45.2 -63.0 -44.1 77.5 -14.3 2.2 77 77 A I H >< S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.3 -2,-0.2 0.849 110.9 54.5 -67.1 -36.1 74.0 -13.8 3.7 78 78 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 518,-0.2 0.747 119.7 32.9 -68.9 -25.3 72.6 -13.3 0.2 79 79 A T T 3< S+ 0 0 14 -4,-1.2 -1,-0.3 -3,-0.2 2,-0.2 -0.489 92.8 142.7-129.8 62.2 74.1 -16.6 -1.0 80 80 A Q < - 0 0 6 -3,-0.7 66,-0.5 -73,-0.1 2,-0.3 -0.554 41.2-140.2-103.1 163.0 74.0 -18.8 2.1 81 81 A S > - 0 0 7 -2,-0.2 3,-2.0 64,-0.1 64,-0.2 -0.832 45.0 -83.9-109.4 156.7 73.3 -22.4 2.8 82 82 A S T 3 S+ 0 0 13 62,-2.3 62,-0.1 -2,-0.3 64,-0.0 -0.426 119.0 18.8 -56.4 131.5 71.2 -23.6 5.8 83 83 A F T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.402 92.4 140.7 85.7 0.3 73.6 -23.8 8.8 84 84 A E < + 0 0 17 -3,-2.0 -77,-1.9 335,-0.1 -76,-0.5 -0.518 17.6 154.5 -79.6 141.5 76.2 -21.5 7.4 85 85 A C E -A 6 0A 3 -79,-0.3 2,-0.3 -2,-0.2 -79,-0.2 -0.960 26.6-139.5-152.0 166.7 78.0 -18.8 9.5 86 86 A I E -A 5 0A 1 -81,-1.5 -81,-2.5 -2,-0.3 2,-0.4 -0.792 36.1 -83.1-122.9 172.0 81.3 -16.9 9.6 87 87 A H E > -A 4 0A 0 -2,-0.3 3,-1.8 -83,-0.2 4,-0.4 -0.622 27.1-137.4 -77.0 129.8 83.7 -15.8 12.3 88 88 A L G > S+ 0 0 32 -85,-2.9 3,-1.5 -2,-0.4 4,-0.2 0.770 101.7 72.1 -54.1 -26.7 82.8 -12.7 14.1 89 89 A S G >> S+ 0 0 9 -86,-0.4 4,-2.5 1,-0.3 3,-2.1 0.837 83.9 65.3 -59.8 -34.2 86.5 -11.8 13.8 90 90 A V G <4 S+ 0 0 10 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.712 91.9 65.6 -63.7 -18.0 86.0 -11.1 10.1 91 91 A L G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.569 120.8 16.9 -79.0 -10.3 83.8 -8.2 11.1 92 92 A H T <4 S+ 0 0 46 -3,-2.1 2,-0.2 -4,-0.2 -2,-0.2 0.457 98.8 106.2-137.7 -11.3 86.7 -6.4 12.7 93 93 A K S < S- 0 0 78 -4,-2.5 2,-0.5 1,-0.2 3,-0.1 -0.543 91.0 -0.0 -78.1 140.9 89.9 -8.0 11.3 94 94 A C S S+ 0 0 93 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.011 86.8 147.4 77.6 -28.3 92.1 -6.2 8.7 95 95 A Y - 0 0 5 -2,-0.5 2,-1.5 1,-0.2 -1,-0.2 -0.069 61.9-111.2 -42.8 129.5 89.8 -3.1 8.6 96 96 A D - 0 0 73 1,-0.2 3,-0.4 -3,-0.1 4,-0.3 -0.528 38.1-173.0 -65.6 91.0 91.7 0.1 8.0 97 97 A Y S S+ 0 0 41 -2,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.628 75.6 57.2 -70.1 -14.6 91.1 1.5 11.5 98 98 A D S S+ 0 0 113 1,-0.2 -1,-0.2 -3,-0.1 5,-0.1 0.886 98.2 57.3 -80.3 -42.0 92.6 4.9 10.6 99 99 A A S S+ 0 0 31 -3,-0.4 -1,-0.2 -38,-0.1 -2,-0.2 0.498 84.9 100.7 -69.8 -2.8 90.4 5.7 7.7 100 100 A I > - 0 0 1 -4,-0.3 3,-0.9 -3,-0.2 -38,-0.1 -0.776 57.4-163.6 -92.1 111.5 87.3 5.4 10.0 101 101 A P G > S+ 0 0 71 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.939 83.7 52.8 -56.9 -57.6 86.0 8.8 11.1 102 102 A W G 3 S+ 0 0 22 -43,-0.4 -77,-0.1 1,-0.3 -76,-0.1 0.478 109.7 52.8 -66.3 -0.1 83.8 7.9 14.1 103 103 A L G < S+ 0 0 0 -3,-0.9 3,-0.4 -6,-0.1 -1,-0.3 0.150 81.9 91.8-120.1 17.4 86.7 5.9 15.6 104 104 A Q S < S+ 0 0 92 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.969 87.9 42.1 -80.5 -57.4 89.4 8.5 15.6 105 105 A N S S+ 0 0 158 -4,-0.4 2,-0.5 2,-0.1 -1,-0.2 0.092 101.4 96.8 -76.6 25.7 89.1 10.2 19.1 106 106 A V S S- 0 0 31 -3,-0.4 5,-0.1 2,-0.0 -3,-0.0 -0.983 95.0 -93.6-117.7 125.1 88.6 6.6 20.3 107 107 A E >> - 0 0 118 -2,-0.5 3,-2.0 1,-0.2 4,-0.7 -0.040 31.8-126.4 -41.6 122.1 91.6 4.8 21.8 108 108 A P T 34 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.692 109.2 53.7 -43.9 -28.9 93.3 2.7 19.0 109 109 A N T 34 S+ 0 0 111 1,-0.2 4,-0.4 2,-0.1 -2,-0.1 0.767 104.5 52.1 -80.4 -28.5 93.0 -0.4 21.2 110 110 A L T <> S+ 0 0 103 -3,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.487 90.9 84.5 -84.8 -3.8 89.2 -0.1 21.9 111 111 A R H X S+ 0 0 14 -4,-0.7 4,-2.7 -3,-0.3 5,-0.3 0.907 79.2 57.6 -68.6 -47.9 88.6 0.1 18.1 112 112 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.942 112.7 39.5 -49.1 -57.0 88.5 -3.6 17.2 113 113 A K H > S+ 0 0 165 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.752 114.9 54.8 -67.7 -26.6 85.7 -4.5 19.6 114 114 A L H X S+ 0 0 46 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.957 108.0 46.2 -70.2 -52.4 83.8 -1.2 18.8 115 115 A L H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.873 112.2 54.1 -56.0 -40.2 83.7 -1.8 15.1 116 116 A L H X S+ 0 0 36 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.946 106.5 50.2 -56.6 -52.0 82.6 -5.3 15.8 117 117 A K H X S+ 0 0 69 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.793 117.6 41.7 -58.6 -30.4 79.7 -4.1 18.0 118 118 A H H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.922 109.8 51.7 -86.5 -52.5 78.6 -1.8 15.2 119 119 A N H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.901 111.4 52.9 -50.0 -42.0 79.0 -3.9 12.1 120 120 A L H X S+ 0 0 35 -4,-2.3 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3,-0.7 2,-0.0 2,-0.2 -0.557 100.8 -58.8 -76.4 77.8 68.3 -30.5 -2.5 143 143 A G T 3 S- 0 0 36 -2,-2.0 -2,-0.3 1,-0.2 273,-0.2 -0.518 100.9 -34.3 79.1-149.7 70.8 -30.3 0.3 144 144 A H T 3 S+ 0 0 48 271,-1.2 -62,-2.3 -2,-0.2 -1,-0.2 0.178 94.1 140.6 -93.3 16.6 71.3 -27.1 2.3 145 145 A E < - 0 0 33 -3,-0.7 -5,-1.2 -64,-0.2 -4,-0.5 -0.283 33.0-164.6 -60.6 141.0 70.6 -25.0 -0.8 146 146 A I E -B 139 0B 20 -66,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.995 5.8-163.6-135.1 128.1 68.5 -21.9 -0.3 147 147 A K E -B 138 0B 116 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.6 -0.899 12.5-142.4-110.4 142.1 66.7 -19.7 -2.9 148 148 A F E -B 137 0B 21 -2,-0.4 2,-0.4 -11,-0.2 -2,-0.0 -0.906 19.5-173.5-106.9 112.0 65.4 -16.2 -2.3 149 149 A I E -B 136 0B 60 -13,-2.5 -13,-2.4 -2,-0.6 2,-0.1 -0.859 33.9-102.8-105.3 137.9 62.1 -15.4 -4.0 150 150 A R E > -B 135 0B 13 -2,-0.4 4,-2.8 -15,-0.2 3,-0.3 -0.368 27.2-127.6 -55.8 128.9 60.6 -11.9 -4.0 151 151 A K H > S+ 0 0 94 -17,-3.0 4,-2.8 1,-0.2 5,-0.2 0.847 111.0 54.8 -47.9 -38.4 57.8 -11.7 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47.9 -22.6 -5.1 162 162 A F H X S+ 0 0 7 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.912 107.6 46.9 -54.7 -49.3 45.6 -21.5 -2.2 163 163 A H H X S+ 0 0 112 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.855 108.4 56.5 -60.5 -38.4 42.6 -21.1 -4.6 164 164 A K H X S+ 0 0 86 -4,-1.2 4,-2.1 -5,-0.4 -1,-0.2 0.889 105.3 51.3 -60.9 -39.9 43.4 -24.5 -6.1 165 165 A L H <>S+ 0 0 2 -4,-2.1 5,-2.5 2,-0.2 6,-1.4 0.783 111.3 50.0 -66.0 -28.2 43.1 -26.1 -2.6 166 166 A K H ><5S+ 0 0 74 -4,-1.2 3,-1.5 3,-0.2 -2,-0.2 0.951 111.9 43.6 -72.8 -54.0 39.7 -24.4 -2.2 167 167 A K H 3<5S+ 0 0 191 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.891 113.3 50.8 -63.0 -42.6 38.2 -25.5 -5.5 168 168 A M T 3<5S- 0 0 99 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.365 114.1-124.9 -75.6 5.5 39.5 -29.1 -5.1 169 169 A K T < 5S+ 0 0 157 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.792 71.8 132.9 53.8 36.7 37.9 -28.8 -1.6 170 170 A Y S S+ 0 0 56 -3,-0.3 4,-2.5 -2,-0.2 -1,-0.2 0.226 101.0 86.8-174.6 -8.9 51.6 -32.4 24.1 206 206 A K H > S+ 0 0 151 -4,-0.4 4,-1.3 2,-0.2 -2,-0.1 0.901 92.2 43.2 -78.4 -45.8 55.1 -32.8 22.7 207 207 A P H > S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.675 117.8 53.2 -70.1 -13.6 56.4 -35.6 25.1 208 208 A F H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.1 -2,-0.2 0.886 105.7 48.0 -83.4 -47.3 53.0 -37.1 24.4 209 209 A F H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.755 109.0 58.4 -63.3 -26.0 53.1 -37.0 20.6 210 210 A K H X S+ 0 0 145 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.918 104.3 48.3 -68.3 -46.4 56.6 -38.6 21.0 211 211 A L H X S+ 0 0 91 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.854 115.6 46.3 -61.6 -36.8 55.1 -41.6 22.9 212 212 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.949 111.5 48.8 -70.3 -53.0 52.5 -41.9 20.2 213 213 A T H X S+ 0 0 37 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.914 116.7 44.6 -52.8 -45.6 54.9 -41.6 17.2 214 214 A S H X S+ 0 0 81 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.909 111.9 51.9 -65.2 -44.3 57.1 -44.2 18.9 215 215 A K H X S+ 0 0 60 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.845 109.0 49.9 -63.3 -36.9 54.2 -46.5 19.8 216 216 A I H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.887 106.6 54.6 -69.8 -39.7 52.9 -46.5 16.2 217 217 A Y H X S+ 0 0 93 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.740 105.6 56.2 -62.3 -23.2 56.3 -47.4 14.9 218 218 A K H X S+ 0 0 102 -4,-1.0 4,-0.7 2,-0.2 5,-0.2 0.889 101.4 53.7 -74.9 -42.8 56.2 -50.3 17.3 219 219 A V H X>S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.2 5,-0.6 0.811 107.8 55.0 -58.1 -31.4 52.9 -51.6 15.7 220 220 A L H X5S+ 0 0 24 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.904 111.2 39.5 -70.8 -44.0 54.8 -51.5 12.4 221 221 A E H <5S+ 0 0 134 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.444 125.5 39.5 -87.7 0.7 57.7 -53.7 13.4 222 222 A E H <5S+ 0 0 113 -4,-0.7 -2,-0.2 -3,-0.2 -3,-0.2 0.690 127.3 25.6-117.9 -34.9 55.5 -56.0 15.4 223 223 A K H <5S+ 0 0 96 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.2 0.689 116.1 58.3-104.8 -24.6 52.3 -56.4 13.4 224 224 A Y S < - 0 0 46 1,-0.2 4,-3.4 -2,-0.1 5,-0.2 -0.842 44.4-154.2 -95.8 119.2 67.4 -56.0 3.4 230 230 A L H > S+ 0 0 18 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.932 98.6 50.1 -53.0 -51.3 68.0 -54.2 0.1 231 231 A Y H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.877 115.4 43.6 -55.5 -41.5 71.6 -55.5 -0.1 232 232 A T H > S+ 0 0 61 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.938 113.8 49.0 -71.7 -48.5 70.3 -59.1 0.6 233 233 A C H X S+ 0 0 35 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.941 115.5 42.9 -56.9 -52.1 67.3 -59.0 -1.7 234 234 A W H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.827 114.8 53.3 -64.4 -31.9 69.4 -57.6 -4.7 235 235 A S H X S+ 0 0 18 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.970 112.8 40.2 -66.0 -55.1 72.1 -60.1 -3.8 236 236 A E H X S+ 0 0 120 -4,-3.1 4,-2.1 1,-0.2 5,-0.3 0.872 113.8 54.7 -63.9 -40.2 70.0 -63.2 -3.8 237 237 A F H X S+ 0 0 3 -4,-2.4 4,-3.2 -5,-0.3 -1,-0.2 0.940 112.1 41.9 -59.5 -50.9 68.0 -62.1 -6.9 238 238 A T H < S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 112.0 56.7 -68.0 -32.1 71.0 -61.6 -9.1 239 239 A Q H < S+ 0 0 133 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.896 119.8 29.0 -63.8 -42.3 72.6 -64.8 -7.7 240 240 A K H < S+ 0 0 87 -4,-2.1 2,-0.6 -5,-0.1 -2,-0.2 0.825 105.8 80.0 -89.8 -36.4 69.6 -66.9 -8.8 241 241 A T < + 0 0 7 -4,-3.2 4,-0.1 -5,-0.3 -1,-0.1 -0.654 46.6 166.2 -81.2 117.6 68.4 -64.9 -11.8 242 242 A Q + 0 0 169 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.727 53.0 70.5-102.9 -30.2 70.5 -65.7 -14.9 243 243 A G S S- 0 0 36 1,-0.2 2,-0.4 0, 0.0 108,-0.1 0.003 105.5 -52.1 -76.5-172.7 68.4 -64.2 -17.7 244 244 A Q - 0 0 33 106,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.503 58.8-133.4 -66.0 119.6 67.7 -60.5 -18.5 245 245 A I - 0 0 0 151,-0.8 2,-0.4 -2,-0.4 -1,-0.1 -0.596 19.2-162.2 -76.2 132.2 66.4 -58.8 -15.4 246 246 A Y E +H 349 0D 8 103,-3.2 103,-2.8 -2,-0.3 2,-0.3 -0.958 18.7 162.5-116.4 138.3 63.4 -56.6 -15.9 247 247 A G E -H 348 0D 0 -2,-0.4 129,-1.3 101,-0.3 2,-0.4 -0.992 25.1-157.1-155.6 156.1 62.4 -54.0 -13.3 248 248 A I E -HI 347 375D 0 99,-2.5 99,-2.0 -2,-0.3 2,-0.5 -1.000 5.9-157.8-139.0 136.6 60.4 -50.8 -12.6 249 249 A K E -HI 346 374D 23 125,-3.3 125,-2.2 -2,-0.4 2,-0.4 -0.970 18.5-171.2-112.9 117.2 60.8 -48.1 -10.0 250 250 A V E -H 345 0D 0 95,-1.5 95,-1.8 -2,-0.5 2,-0.6 -0.875 13.8-147.2-111.6 141.1 57.6 -46.2 -9.3 251 251 A D E -H 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26 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.761 70.4 68.9 -70.5 -27.1 92.3 -23.6 10.7 432 432 A A H > S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.898 100.0 46.1 -58.8 -45.1 93.8 -27.1 11.2 433 433 A R H > S+ 0 0 90 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.784 113.5 50.5 -71.2 -28.3 90.9 -28.3 13.4 434 434 A F H X S+ 0 0 3 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.949 110.6 46.2 -72.7 -51.5 88.3 -26.8 11.0 435 435 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.818 113.2 54.3 -60.1 -31.4 89.8 -28.4 7.9 436 436 A Q H >< S+ 0 0 90 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 0.971 105.4 48.5 -66.8 -57.3 90.0 -31.7 9.9 437 437 A K H >< S+ 0 0 77 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.852 110.0 55.3 -52.1 -38.2 86.3 -31.8 11.0 438 438 A A H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.875 104.8 52.6 -61.4 -39.1 85.4 -31.1 7.3 439 439 A M T << S+ 0 0 11 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.191 86.6 123.9 -86.8 16.2 87.4 -34.1 6.2 440 440 A D < - 0 0 63 -3,-1.3 4,-0.4 1,-0.1 3,-0.1 -0.062 67.8-121.4 -68.8 176.7 85.7 -36.5 8.6 441 441 A F S > S+ 0 0 39 1,-0.1 4,-0.6 2,-0.1 3,-0.3 0.837 88.4 88.0 -90.6 -38.8 83.9 -39.7 7.6 442 442 A P T 4 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.707 91.8 44.3 -31.1 -46.4 80.3 -39.0 8.9 443 443 A F T >4 S+ 0 0 66 1,-0.2 3,-0.8 2,-0.1 -2,-0.1 0.963 118.6 36.6 -76.0 -53.4 79.0 -37.3 5.7 444 444 A I G >4 S+ 0 0 7 -4,-0.4 3,-1.1 -3,-0.3 -1,-0.2 0.244 86.3 107.4 -82.4 15.1 80.3 -39.4 2.8 445 445 A C G >< S+ 0 0 46 -4,-0.6 3,-1.1 -3,-0.4 -1,-0.2 0.799 71.0 62.0 -62.5 -28.6 79.7 -42.5 5.0 446 446 A N G < S+ 0 0 114 -3,-0.8 3,-0.4 1,-0.3 -1,-0.3 0.761 100.2 51.6 -66.8 -28.8 76.7 -43.3 2.7 447 447 A S G < S+ 0 0 8 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.373 103.6 64.2 -88.0 2.7 79.1 -43.7 -0.2 448 448 A F S < S+ 0 0 2 -3,-1.1 2,-0.2 -4,-0.2 -1,-0.2 -0.434 80.7 113.4-120.7 55.2 81.1 -46.1 1.9 449 449 A T S >> S- 0 0 35 -3,-0.4 3,-2.2 5,-0.0 4,-1.8 -0.729 85.4 -87.9-118.8 170.6 78.5 -48.9 2.4 450 450 A K H 3> S+ 0 0 65 1,-0.3 4,-1.8 -2,-0.2 -1,-0.0 0.847 122.6 64.4 -42.8 -42.9 78.2 -52.5 1.3 451 451 A F H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -50,-0.2 0.787 111.5 34.4 -53.8 -32.6 76.5 -51.3 -1.9 452 452 A E H <4 S+ 0 0 0 -3,-2.2 14,-0.2 1,-0.1 -1,-0.2 0.832 127.1 32.9 -93.6 -38.1 79.7 -49.6 -3.0 453 453 A F H < S+ 0 0 0 -4,-1.8 66,-0.3 13,-0.1 -2,-0.2 0.291 88.3 114.4-110.6 8.1 82.5 -51.8 -1.7 454 454 A N < - 0 0 0 -4,-1.8 66,-0.2 -5,-0.3 67,-0.1 -0.441 43.3-167.8 -75.0 154.2 81.0 -55.2 -2.0 455 455 A T + 0 0 0 64,-2.4 68,-1.8 -2,-0.1 69,-0.2 0.180 65.8 94.6-127.0 11.9 82.4 -57.8 -4.4 456 456 A V S S- 0 0 37 63,-0.4 66,-0.2 65,-0.2 64,-0.1 0.951 115.4 -6.0 -66.4 -52.1 79.6 -60.3 -4.2 457 457 A F S S+ 0 0 9 2,-0.1 2,-0.3 64,-0.1 -2,-0.1 0.561 117.8 90.8-119.0 -18.3 77.8 -58.9 -7.3 458 458 A N S S- 0 0 0 -58,-0.1 65,-0.1 1,-0.1 63,-0.1 -0.653 74.3-122.0 -85.2 136.3 79.9 -55.8 -8.1 459 459 A D > - 0 0 35 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.299 26.0-109.4 -67.8 157.1 82.8 -56.0 -10.5 460 460 A Q H > S+ 0 0 5 63,-0.5 4,-1.7 1,-0.2 5,-0.1 0.877 121.2 51.5 -51.5 -42.4 86.3 -54.9 -9.4 461 461 A R H > S+ 0 0 91 111,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.850 105.1 55.2 -66.7 -36.6 86.1 -51.9 -11.7 462 462 A T H > S+ 0 0 7 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.898 106.6 50.3 -65.1 -43.4 82.7 -50.8 -10.2 463 463 A V H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.910 112.1 47.5 -60.0 -45.4 84.1 -50.8 -6.6 464 464 A F H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.857 112.9 49.3 -65.5 -35.6 87.1 -48.6 -7.8 465 465 A A H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 109.3 52.0 -67.6 -44.0 84.6 -46.3 -9.6 466 466 A N H X S+ 0 0 0 -4,-2.9 4,-1.3 -14,-0.2 -2,-0.2 0.842 112.8 45.9 -58.1 -38.4 82.4 -46.1 -6.5 467 467 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.930 112.0 50.2 -70.9 -47.7 85.5 -45.1 -4.4 468 468 A Y H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.922 111.5 48.1 -56.8 -48.7 86.7 -42.6 -7.0 469 469 A D H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.854 112.2 49.4 -61.2 -38.3 83.3 -40.9 -7.2 470 470 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.831 109.4 51.7 -71.2 -34.5 83.0 -40.7 -3.4 471 471 A M H X S+ 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<5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.2 -398,-0.1 0.836 135.6 38.4-101.4 -53.1 86.3 -16.5 7.5 489 489 A F S + 0 0 38 -2,-1.2 3,-1.0 2,-0.1 4,-0.3 0.584 61.9 69.2-128.9 -31.9 101.2 -25.1 4.9 496 496 A F T >> S+ 0 0 44 -3,-0.5 4,-1.5 1,-0.2 3,-0.7 0.610 78.9 85.7 -67.8 -15.1 99.2 -27.2 7.4 497 497 A I H 3> S+ 0 0 11 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.898 82.7 58.8 -51.9 -43.9 97.0 -28.4 4.4 498 498 A W H <> S+ 0 0 40 -3,-1.0 4,-1.9 1,-0.2 5,-0.3 0.827 103.1 51.3 -58.4 -37.6 99.6 -31.2 3.7 499 499 A L H <> S+ 0 0 130 -3,-0.7 4,-1.1 -4,-0.3 -1,-0.2 0.907 118.9 36.0 -67.3 -43.2 99.2 -32.7 7.2 500 500 A V H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.945 119.5 47.2 -75.8 -51.4 95.4 -32.9 6.9 501 501 A L H X S+ 0 0 0 -4,-3.5 4,-2.7 2,-0.2 -3,-0.2 0.906 113.6 47.7 -58.8 -47.5 95.1 -33.7 3.2 502 502 A S H X S+ 0 0 28 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.875 114.8 46.5 -61.8 -40.5 97.8 -36.5 3.3 503 503 A S H X S+ 0 0 63 -4,-1.1 4,-2.6 -5,-0.3 -2,-0.2 0.847 111.2 53.6 -68.1 -36.4 96.1 -38.0 6.4 504 504 A T H X 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