==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 31-DEC-04 1YFH . COMPND 2 MOLECULE: 5'-D(*GP*TP*GP*GP*AP*TP*GP*(XCY) . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.M.DUGUID,P.A.RICE,C.HE . 475 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 3 1 5 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 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 . 1 0 0 0 3 0 3 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 . 3 0 1 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 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 5 A C 0 0 88 0, 0.0 2,-0.6 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 51.6 -10.0 -8.4 64.2 2 6 A E - 0 0 149 33,-0.0 2,-0.3 1,-0.0 17,-0.1 -0.811 360.0-122.6 -92.7 123.5 -7.5 -8.3 61.3 3 7 A M - 0 0 54 -2,-0.6 2,-0.4 17,-0.1 17,-0.2 -0.516 31.3-176.9 -70.4 126.2 -6.3 -4.8 60.4 4 8 A K E -A 19 0A 74 15,-2.3 15,-2.0 -2,-0.3 2,-0.3 -0.916 9.5-159.8-117.0 145.0 -7.0 -4.0 56.9 5 9 A R E -Ab 18 37A 76 31,-1.9 33,-2.9 -2,-0.4 2,-0.3 -0.955 13.7-179.5-133.8 153.5 -5.8 -0.6 55.6 6 10 A T E -A 17 0A 34 11,-3.2 11,-3.4 -2,-0.3 2,-0.5 -0.993 17.8-139.1-147.5 146.9 -6.6 1.7 52.7 7 11 A T E -A 16 0A 63 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.946 14.6-165.7-117.6 134.1 -5.3 5.0 51.6 8 12 A L E -A 15 0A 24 7,-2.8 7,-2.7 -2,-0.5 2,-0.3 -0.940 20.9-124.1-117.6 133.7 -7.5 7.9 50.3 9 13 A D E +A 14 0A 77 -2,-0.4 5,-0.2 5,-0.2 7,-0.0 -0.594 40.1 168.0 -78.8 134.0 -6.3 10.9 48.4 10 14 A S E > -A 13 0A 1 3,-3.7 3,-1.9 -2,-0.3 44,-0.1 -0.908 53.4 -98.1-141.6 167.5 -7.3 14.2 50.0 11 15 A P T 3 S+ 0 0 12 0, 0.0 469,-1.0 0, 0.0 3,-0.1 0.770 126.7 52.2 -55.8 -24.4 -6.6 18.0 49.8 12 16 A L T 3 S- 0 0 11 1,-0.2 2,-0.4 467,-0.2 469,-0.1 0.600 122.6-106.9 -86.8 -14.3 -4.3 17.4 52.8 13 17 A G E < S-A 10 0A 12 -3,-1.9 -3,-3.7 17,-0.1 2,-0.7 -0.985 72.8 -1.5 130.0-131.4 -2.4 14.6 50.9 14 18 A K E -A 9 0A 94 17,-3.3 16,-3.1 -2,-0.4 17,-0.6 -0.888 57.7-164.7-109.3 113.0 -2.6 10.9 51.5 15 19 A L E -AC 8 29A 1 -7,-2.7 -7,-2.8 -2,-0.7 2,-0.7 -0.776 8.0-151.6 -92.3 133.0 -4.8 9.7 54.3 16 20 A E E -AC 7 28A 34 12,-3.8 12,-1.3 -2,-0.4 2,-0.5 -0.906 9.6-160.3-110.9 107.9 -4.2 6.1 55.4 17 21 A L E +AC 6 27A 0 -11,-3.4 -11,-3.2 -2,-0.7 2,-0.4 -0.749 14.4 175.3 -90.2 125.6 -7.4 4.5 56.9 18 22 A S E +AC 5 26A 15 8,-2.2 8,-2.6 -2,-0.5 7,-1.5 -0.991 15.3 121.3-137.3 128.5 -6.9 1.5 59.0 19 23 A G E -AC 4 24A 0 -15,-2.0 -15,-2.3 -2,-0.4 5,-0.2 -0.959 45.0-115.1-165.9 177.5 -9.4 -0.5 61.0 20 24 A C - 0 0 0 3,-2.1 26,-0.2 -2,-0.3 3,-0.2 -0.030 49.1 -84.6-104.2-150.8 -10.9 -3.9 61.6 21 25 A E S S+ 0 0 146 1,-0.2 23,-0.1 22,-0.1 3,-0.1 0.567 124.6 62.5 -97.3 -13.8 -14.5 -5.1 61.0 22 26 A Q S S- 0 0 115 1,-0.3 2,-0.2 50,-0.1 -1,-0.2 0.385 122.7 -61.7 -90.5 4.4 -15.6 -3.9 64.4 23 27 A G - 0 0 0 -3,-0.2 -3,-2.1 49,-0.1 48,-0.3 -0.718 68.8 -44.7 140.7 170.3 -14.7 -0.3 63.4 24 28 A L E -Cd 19 71A 0 46,-4.2 48,-2.4 -5,-0.2 49,-0.8 -0.512 37.3-172.4 -73.2 132.8 -12.2 2.2 62.3 25 29 A H E - 0 0 30 -7,-1.5 2,-0.3 1,-0.3 -6,-0.3 0.831 61.5 -13.2 -94.5 -38.2 -8.9 2.1 64.2 26 30 A E E -C 18 0A 74 -8,-2.6 -8,-2.2 100,-0.1 2,-0.5 -0.927 39.9-145.4-171.6 142.0 -7.2 5.2 62.9 27 31 A I E +C 17 0A 8 98,-2.2 2,-0.4 -2,-0.3 -10,-0.2 -0.941 33.3 179.0-106.6 124.6 -7.0 8.0 60.3 28 32 A K E -C 16 0A 99 -12,-1.3 -12,-3.8 -2,-0.5 2,-0.6 -0.994 23.6-140.8-135.2 131.7 -3.4 8.9 59.6 29 33 A L E -C 15 0A 62 -2,-0.4 -14,-0.2 -14,-0.2 -2,-0.0 -0.810 14.6-177.6 -94.7 120.8 -1.9 11.4 57.2 30 34 A L 0 0 88 -16,-3.1 -1,-0.2 -2,-0.6 -15,-0.1 0.819 360.0 360.0 -83.4 -35.5 1.2 10.3 55.4 31 35 A G 0 0 69 -17,-0.6 -17,-3.3 -19,-0.0 -1,-0.4 -0.859 360.0 360.0 140.0 360.0 1.9 13.5 53.5 32 ! 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 33 46 A V 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.6 4.2 -5.4 60.5 34 47 A P - 0 0 111 0, 0.0 -31,-0.1 0, 0.0 3,-0.0 -0.012 360.0-109.6 -52.3 161.8 2.0 -3.4 58.0 35 48 A A - 0 0 26 1,-0.1 -31,-0.2 -33,-0.0 -30,-0.1 -0.776 40.8 -93.7 -96.4 142.7 -1.7 -4.3 57.8 36 49 A P - 0 0 69 0, 0.0 -31,-1.9 0, 0.0 2,-0.2 -0.285 45.4-104.4 -57.0 131.5 -3.0 -6.0 54.6 37 50 A A B -b 5 0A 68 -33,-0.2 -31,-0.2 1,-0.1 5,-0.1 -0.399 38.2-126.8 -61.3 123.4 -4.3 -3.6 51.9 38 51 A A - 0 0 17 -33,-2.9 2,-0.3 -2,-0.2 3,-0.1 -0.228 21.2-149.6 -69.1 159.8 -8.1 -3.7 51.9 39 52 A V S > S+ 0 0 112 1,-0.1 3,-0.5 -33,-0.1 -1,-0.0 -0.989 71.5 16.0-137.2 146.1 -10.0 -4.3 48.7 40 53 A L T 3 S- 0 0 163 -2,-0.3 -1,-0.1 1,-0.2 7,-0.1 0.767 139.7 -53.3 63.8 26.1 -13.5 -3.1 47.4 41 54 A G T 3 S- 0 0 20 -3,-0.1 6,-0.3 5,-0.1 -1,-0.2 0.736 86.1-122.8 82.2 22.5 -13.2 -0.6 50.2 42 55 A G < + 0 0 27 -3,-0.5 5,-0.2 4,-0.1 -22,-0.1 0.250 67.1 6.3 38.4-158.3 -12.5 -3.2 52.8 43 56 A P S >> S- 0 0 9 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.135 85.2 -97.4 -44.3 164.6 -14.7 -3.7 56.0 44 57 A E H 3> S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.925 121.9 52.7 -55.2 -49.2 -17.9 -1.7 56.4 45 58 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.795 105.0 54.0 -60.5 -30.3 -16.3 1.0 58.6 46 59 A L H <> S+ 0 0 0 -3,-0.5 4,-2.5 -26,-0.2 -2,-0.2 0.877 111.1 45.7 -72.1 -36.1 -13.5 1.7 56.1 47 60 A M H X S+ 0 0 90 -4,-1.5 4,-3.4 -3,-0.3 5,-0.3 0.974 114.0 48.9 -66.3 -55.0 -15.9 2.3 53.3 48 61 A Q H X S+ 0 0 45 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.924 114.1 46.2 -49.6 -49.9 -18.1 4.5 55.6 49 62 A C H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.918 111.6 50.8 -62.0 -44.0 -15.1 6.4 56.7 50 63 A T H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.953 113.3 45.8 -59.8 -46.7 -13.8 6.8 53.1 51 64 A A H X S+ 0 0 35 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.962 113.6 50.1 -57.4 -53.4 -17.2 8.1 52.0 52 65 A W H X S+ 0 0 23 -4,-3.2 4,-2.9 -5,-0.3 -2,-0.2 0.912 109.8 49.3 -50.1 -54.8 -17.4 10.4 55.1 53 66 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.873 110.2 51.3 -56.6 -40.1 -13.9 11.9 54.5 54 67 A N H X S+ 0 0 64 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.894 110.2 49.0 -65.1 -39.1 -14.8 12.5 50.9 55 68 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.946 107.7 55.4 -62.7 -50.2 -18.0 14.3 51.8 56 69 A Y H < S+ 0 0 0 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.874 115.6 38.2 -49.5 -44.3 -16.1 16.4 54.4 57 70 A F H < S+ 0 0 14 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 133.6 19.9 -80.0 -36.7 -13.7 17.6 51.7 58 71 A H H < S+ 0 0 123 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 -0.084 133.8 26.6-127.5 37.8 -16.1 18.0 48.8 59 72 A Q >< + 0 0 75 -4,-1.4 3,-1.0 -3,-0.2 4,-0.3 0.230 54.9 163.3 174.0 41.7 -19.6 18.3 50.2 60 73 A P T 3 S+ 0 0 24 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.588 75.1 66.7 -48.4 -12.0 -19.6 19.6 53.8 61 74 A E T > S+ 0 0 149 1,-0.2 3,-0.6 -6,-0.2 4,-0.1 0.962 105.3 36.1 -77.2 -53.1 -23.2 20.3 53.4 62 75 A A G X> S+ 0 0 18 -3,-1.0 4,-1.1 1,-0.2 3,-0.9 0.177 86.2 111.2 -86.1 20.0 -24.5 16.8 53.1 63 76 A I G 34 S+ 0 0 15 -4,-0.3 3,-0.5 -3,-0.3 -1,-0.2 0.935 71.4 56.6 -61.8 -45.1 -21.9 15.7 55.6 64 77 A E G <4 S+ 0 0 132 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.766 100.8 65.8 -56.6 -20.2 -24.5 14.9 58.4 65 78 A E T <4 S+ 0 0 147 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 0.966 85.2 76.4 -65.8 -54.5 -25.9 12.7 55.7 66 79 A F S < S- 0 0 50 -4,-1.1 2,-0.2 -3,-0.5 -18,-0.0 -0.326 90.5-113.5 -61.1 137.5 -23.0 10.2 55.5 67 80 A P - 0 0 79 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.516 24.6-117.7 -76.2 139.8 -22.9 7.7 58.5 68 81 A V - 0 0 75 -2,-0.2 -19,-0.1 -4,-0.1 -20,-0.1 -0.586 34.7-115.6 -77.3 133.1 -20.1 7.9 61.0 69 82 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.209 28.8-101.5 -67.8 159.6 -18.0 4.7 61.1 70 83 A A - 0 0 49 -49,-0.1 -46,-4.2 2,-0.0 2,-0.5 -0.636 37.6-135.4 -78.7 137.8 -17.8 2.5 64.1 71 84 A L B +d 24 0A 37 -48,-0.3 -46,-0.2 -2,-0.3 -48,-0.1 -0.833 30.3 169.3-101.0 133.1 -14.6 3.0 66.0 72 85 A H + 0 0 26 -48,-2.4 -47,-0.2 -2,-0.5 -1,-0.1 0.167 31.7 126.4-127.0 18.8 -12.6 0.1 67.3 73 86 A H S >> S- 0 0 49 -49,-0.8 3,-2.9 1,-0.1 4,-0.6 -0.606 73.3-110.8 -76.5 138.9 -9.3 1.7 68.4 74 87 A P H >> S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.717 113.2 69.9 -39.1 -36.4 -8.5 0.7 72.1 75 88 A V H 34 S+ 0 0 29 1,-0.2 8,-0.0 2,-0.2 49,-0.0 0.793 105.3 42.9 -56.7 -26.5 -9.1 4.2 73.4 76 89 A F H <4 S+ 0 0 12 -3,-2.9 -1,-0.2 1,-0.1 -5,-0.1 0.644 102.4 67.7 -92.9 -19.9 -12.8 3.6 72.7 77 90 A Q H << S+ 0 0 106 -4,-0.6 2,-0.4 -3,-0.6 -2,-0.2 0.884 104.4 40.1 -69.1 -42.7 -12.9 0.0 74.0 78 91 A Q S < S- 0 0 145 -4,-1.4 -1,-0.1 1,-0.0 5,-0.1 -0.901 92.3-108.4-113.7 140.8 -12.4 1.0 77.7 79 92 A E + 0 0 101 -2,-0.4 2,-0.3 4,-0.1 3,-0.1 -0.211 51.3 140.3 -61.5 151.6 -13.9 4.0 79.4 80 93 A S > - 0 0 42 1,-0.2 4,-2.5 -4,-0.1 3,-0.2 -0.940 64.4 -94.9-179.7 164.3 -11.7 7.0 80.4 81 94 A F H > S+ 0 0 57 -2,-0.3 4,-2.9 1,-0.2 3,-0.3 0.979 125.6 53.5 -52.5 -58.2 -11.6 10.8 80.6 82 95 A T H > S+ 0 0 50 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.778 108.8 49.5 -47.2 -34.7 -9.9 10.8 77.2 83 96 A R H > S+ 0 0 31 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.909 108.7 50.9 -76.4 -40.9 -12.8 8.7 75.8 84 97 A Q H X S+ 0 0 83 -4,-2.5 4,-3.2 -3,-0.3 5,-0.3 0.947 113.3 47.9 -59.2 -46.5 -15.5 10.9 77.2 85 98 A V H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.990 111.2 46.5 -55.7 -70.0 -13.8 13.9 75.7 86 99 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.816 116.4 48.1 -43.2 -38.0 -13.3 12.4 72.2 87 100 A W H X S+ 0 0 110 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.985 112.9 44.8 -70.6 -55.3 -16.9 11.2 72.3 88 101 A K H X S+ 0 0 66 -4,-3.2 4,-3.6 1,-0.2 5,-0.4 0.913 113.1 53.1 -52.5 -46.7 -18.4 14.6 73.4 89 102 A L H X S+ 0 0 0 -4,-3.3 4,-0.8 -5,-0.3 -1,-0.2 0.957 112.1 43.7 -53.6 -54.6 -16.2 16.4 70.9 90 103 A L H < S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.917 118.8 44.5 -57.0 -46.9 -17.4 14.2 68.0 91 104 A K H < S+ 0 0 134 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.6 27.5 -66.0 -48.0 -21.0 14.4 69.2 92 105 A V H < S+ 0 0 57 -4,-3.6 2,-1.1 -5,-0.2 -3,-0.2 0.977 103.2 66.8 -84.0 -64.6 -21.2 18.2 70.0 93 106 A V < - 0 0 7 -4,-0.8 -1,-0.1 -5,-0.4 41,-0.1 -0.482 69.9-179.6 -67.1 98.7 -18.8 20.3 67.9 94 107 A K > - 0 0 105 -2,-1.1 3,-1.6 1,-0.2 -2,-0.1 -0.128 38.7 -42.2 -88.1-173.1 -20.1 20.0 64.4 95 108 A F T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -35,-0.1 3,-0.1 -0.060 123.6 7.8 -51.9 148.0 -18.9 21.4 61.1 96 109 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.339 104.6 113.0 63.4 -9.6 -17.7 25.1 61.0 97 110 A E < - 0 0 91 -3,-1.6 2,-0.3 64,-0.0 -1,-0.2 -0.339 48.2-161.4 -86.7 172.8 -18.0 25.3 64.8 98 111 A V - 0 0 49 -3,-0.1 2,-0.3 -2,-0.1 37,-0.2 -0.981 6.4-172.9-152.4 152.0 -15.1 25.8 67.3 99 112 A I E -e 135 0B 15 35,-3.1 37,-2.1 -2,-0.3 2,-0.3 -0.977 25.0-113.9-146.1 154.1 -14.7 25.2 71.0 100 113 A S E >> -e 136 0B 9 -2,-0.3 4,-2.4 35,-0.2 3,-0.6 -0.655 30.4-112.5 -92.8 150.1 -11.9 26.0 73.5 101 114 A Y H 3> S+ 0 0 44 35,-1.4 4,-2.8 1,-0.3 3,-0.2 0.908 119.1 46.4 -40.7 -59.2 -10.0 23.3 75.3 102 115 A Q H 3> S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.836 108.1 55.7 -56.3 -37.5 -11.5 24.2 78.6 103 116 A Q H <> S+ 0 0 114 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.943 112.3 42.8 -61.3 -46.3 -15.0 24.4 77.2 104 117 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.922 111.0 57.7 -63.5 -44.7 -14.7 20.9 75.9 105 118 A A H >X>S+ 0 0 0 -4,-2.8 4,-0.9 -5,-0.3 5,-0.7 0.951 113.7 36.6 -50.6 -59.0 -13.0 19.9 79.2 106 119 A A H ><5S+ 0 0 41 -4,-3.0 3,-2.1 5,-0.3 -1,-0.2 0.956 112.8 59.8 -58.9 -48.5 -16.0 21.0 81.2 107 120 A L H 3<5S+ 0 0 65 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.791 104.7 50.8 -48.5 -31.4 -18.3 19.8 78.5 108 121 A A H <<5S- 0 0 9 -4,-2.0 -1,-0.3 -3,-0.7 -2,-0.2 0.706 131.7 -94.4 -81.2 -21.5 -16.7 16.4 79.2 109 122 A G T <<5S+ 0 0 56 -3,-2.1 -3,-0.2 -4,-0.9 -2,-0.1 -0.244 105.0 80.6 137.2 -46.7 -17.4 16.7 82.9 110 123 A N > < - 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0 0 37 -5,-0.2 4,-2.6 1,-0.1 3,-1.6 -0.986 56.1-115.2-148.6 140.7 -0.7 51.5 33.6 402 94 C F H 3> S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.895 122.7 54.9 -41.4 -44.5 0.8 48.0 33.1 403 95 C T H 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.857 108.7 46.5 -58.8 -36.5 -0.1 47.5 36.7 404 96 C R H <> S+ 0 0 56 -3,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.907 109.5 53.3 -74.5 -39.1 -3.7 48.5 36.0 405 97 C Q H X S+ 0 0 37 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.935 112.6 46.0 -57.2 -49.9 -3.9 46.3 32.9 406 98 C V H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 5,-0.3 0.990 111.5 48.0 -57.4 -66.6 -2.8 43.4 35.0 407 99 C L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.844 115.7 48.1 -45.8 -37.7 -5.1 44.0 38.0 408 100 C W H X S+ 0 0 76 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.995 113.1 44.8 -68.0 -61.1 -7.9 44.4 35.5 409 101 C K H X S+ 0 0 61 -4,-3.0 4,-3.6 1,-0.2 5,-0.3 0.928 112.9 53.1 -45.1 -56.5 -7.1 41.2 33.5 410 102 C L H X S+ 0 0 0 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.923 111.1 45.4 -47.1 -54.2 -6.6 39.3 36.7 411 103 C L H < S+ 0 0 57 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.922 118.8 41.5 -58.8 -47.1 -10.1 40.3 38.1 412 104 C K H < S+ 0 0 135 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.921 125.1 31.4 -71.2 -41.2 -11.9 39.6 34.8 413 105 C V H < S+ 0 0 66 -4,-3.6 2,-1.0 -5,-0.3 -3,-0.2 0.991 105.3 60.9 -80.8 -70.8 -10.2 36.4 33.8 414 106 C V S < S- 0 0 7 -4,-0.6 -1,-0.2 -5,-0.3 41,-0.1 -0.459 72.4-175.4 -64.8 97.5 -9.1 34.3 36.9 415 107 C K > - 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0 0 76 -5,-0.5 3,-0.9 1,-0.2 -2,-0.2 -0.763 49.7-177.1 -92.8 108.2 3.5 41.5 28.1 432 124 C P T 3 S+ 0 0 65 0, 0.0 -5,-0.4 0, 0.0 3,-0.3 0.746 83.4 52.5 -71.1 -27.4 4.8 37.9 28.3 433 125 C K T 3 S+ 0 0 197 1,-0.2 3,-0.4 -7,-0.2 4,-0.1 0.323 88.1 84.3 -92.1 5.4 8.2 38.8 29.5 434 126 C A <> + 0 0 11 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 -0.088 48.2 126.1 -98.9 33.0 6.8 40.9 32.4 435 127 C A H > S+ 0 0 26 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.896 77.6 42.6 -56.7 -43.7 6.3 37.9 34.7 436 128 C R H > S+ 0 0 235 -3,-0.4 4,-1.2 2,-0.2 3,-0.2 0.837 109.1 57.4 -74.1 -33.2 8.3 39.5 37.5 437 129 C A H >> S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.926 100.6 58.8 -61.0 -43.8 6.7 42.9 37.0 438 130 C V H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.836 99.3 58.6 -53.5 -35.4 3.3 41.2 37.5 439 131 C G H 3X S+ 0 0 23 -4,-0.8 4,-1.8 -3,-0.2 -1,-0.3 0.901 106.6 47.3 -61.9 -39.4 4.7 40.2 40.9 440 132 C G H < S+ 0 0 16 -4,-1.9 3,-0.8 2,-0.2 -1,-0.3 0.891 108.1 49.0 -69.1 -42.0 0.5 42.1 43.0 443 135 C R H 3< S+ 0 0 212 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.879 112.8 52.3 -63.6 -36.0 2.4 43.8 45.7 444 136 C G H 3< S+ 0 0 45 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.569 75.2 124.0 -78.2 -12.0 0.8 47.0 44.5 445 137 C N << - 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