==== 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 LIGASE 18-JUL-03 1Q11 . COMPND 2 MOLECULE: TYROSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-L.YANG,P.SCHIMMEL,L.RIBAS DE POUPLANA . 330 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 1 1 1 2 2 3 1 1 0 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 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 . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A 0 0 133 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.0 71.2 43.8 12.1 2 5 A P - 0 0 51 0, 0.0 60,-0.0 0, 0.0 0, 0.0 0.451 360.0-149.1 -66.8 147.3 70.6 41.9 14.1 3 6 A S > - 0 0 36 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.285 29.5 -99.8 -78.4 169.2 74.0 42.7 15.6 4 7 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.889 127.4 50.2 -59.0 -36.2 76.0 40.1 17.6 5 8 A E H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.899 109.9 48.6 -67.7 -42.2 74.7 41.7 20.8 6 9 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 111.3 51.0 -66.0 -37.9 71.1 41.6 19.6 7 10 A K H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 108.1 52.0 -65.2 -43.2 71.5 38.0 18.6 8 11 A L H X S+ 0 0 33 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.902 109.8 50.0 -60.5 -40.7 72.9 37.1 22.0 9 12 A H H X S+ 0 0 111 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.936 112.1 46.0 -63.8 -47.2 70.0 38.7 23.7 10 13 A L H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 115.5 47.8 -61.1 -43.4 67.4 36.9 21.6 11 14 A I H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 121.9 32.1 -65.3 -42.9 69.2 33.6 22.1 12 15 A T H >< S+ 0 0 35 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.549 84.0 120.3 -97.3 -7.5 69.6 33.9 25.8 13 16 A R T 3< S+ 0 0 61 -4,-2.1 3,-0.1 1,-0.2 45,-0.1 -0.279 83.9 10.5 -61.0 142.9 66.6 35.8 27.0 14 17 A N T 3 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.329 95.4 132.8 71.8 -6.1 64.4 33.9 29.5 15 18 A L < - 0 0 27 -3,-1.7 194,-0.3 194,-0.2 -1,-0.2 -0.401 54.1-145.3 -72.8 153.4 67.0 31.2 30.0 16 19 A Q S S+ 0 0 113 192,-2.5 2,-0.3 1,-0.3 193,-0.2 0.836 78.8 3.9 -84.6 -36.5 67.9 30.1 33.5 17 20 A E E -A 208 0A 56 191,-1.9 191,-2.8 2,-0.0 2,-0.5 -0.994 54.8-154.6-155.3 145.6 71.5 29.4 32.7 18 21 A V E -A 207 0A 50 -2,-0.3 2,-0.5 189,-0.2 3,-0.3 -0.980 8.9-166.0-121.2 124.8 74.1 29.7 30.0 19 22 A L E S+A 206 0A 28 187,-3.0 187,-2.3 -2,-0.5 -2,-0.0 -0.952 74.6 25.2-109.3 126.8 77.2 27.5 29.8 20 23 A G > + 0 0 36 -2,-0.5 4,-2.5 185,-0.2 5,-0.2 0.790 61.3 158.2 95.4 31.7 79.9 28.6 27.4 21 24 A E H > S+ 0 0 103 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 73.1 58.5 -55.4 -38.2 79.3 32.3 27.1 22 25 A E H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.956 112.1 37.9 -57.8 -52.9 82.9 32.8 25.9 23 26 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 112.5 59.1 -65.9 -39.5 82.6 30.5 22.9 24 27 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.926 109.1 43.7 -56.1 -46.2 79.1 31.7 22.2 25 28 A K H X S+ 0 0 93 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.851 110.2 55.8 -69.3 -33.4 80.3 35.3 21.8 26 29 A E H X S+ 0 0 92 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.912 111.0 45.3 -64.2 -40.4 83.2 34.2 19.7 27 30 A I H >X S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 3,-1.5 0.948 109.8 52.5 -67.6 -49.4 80.9 32.4 17.3 28 31 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 100.5 63.2 -61.9 -21.6 78.3 35.2 17.1 29 32 A K H 3< S+ 0 0 165 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.778 121.2 20.2 -73.0 -24.1 81.1 37.7 16.2 30 33 A E H << S- 0 0 168 -3,-1.5 2,-0.2 -4,-0.6 -2,-0.2 0.766 125.2 -8.0-113.8 -37.6 81.8 35.7 13.0 31 34 A R S < S- 0 0 97 -4,-3.1 2,-0.3 -5,-0.1 -1,-0.2 -0.828 78.0 -63.6-150.7-173.6 78.9 33.5 12.0 32 35 A E - 0 0 68 -2,-0.2 2,-0.3 -3,-0.1 32,-0.1 -0.597 52.4-114.7 -83.8 143.7 75.5 32.1 12.7 33 36 A L - 0 0 0 -2,-0.3 32,-2.7 29,-0.2 2,-0.6 -0.578 19.2-142.3 -78.9 137.5 75.2 29.7 15.7 34 37 A K E +b 65 0A 65 -2,-0.3 143,-2.8 30,-0.2 144,-1.6 -0.908 34.8 163.5-101.0 122.4 74.3 26.1 15.0 35 38 A I E -bc 66 178A 1 30,-2.6 32,-2.1 -2,-0.6 2,-0.3 -0.971 19.4-166.3-141.5 152.2 72.0 24.8 17.7 36 39 A Y E -bc 67 179A 1 142,-1.2 144,-2.5 -2,-0.3 2,-0.4 -0.944 8.8-157.8-137.4 161.6 69.6 21.9 18.3 37 40 A W E -b 68 0A 22 30,-1.7 32,-2.6 -2,-0.3 2,-0.3 -0.992 17.7-156.2-134.9 134.8 66.8 20.9 20.6 38 41 A G E -b 69 0A 7 142,-0.5 2,-0.4 -2,-0.4 32,-0.2 -0.867 11.5-175.2-118.2 152.3 65.8 17.2 21.1 39 42 A T E -b 70 0A 12 30,-2.2 32,-2.2 -2,-0.3 2,-0.2 -0.984 26.6-126.3-144.3 129.0 62.7 15.5 22.3 40 43 A A E -b 71 0A 6 -2,-0.4 2,-2.3 30,-0.2 32,-0.2 -0.564 30.6-117.6 -72.9 137.8 62.2 11.8 22.9 41 44 A T S S+ 0 0 0 30,-0.9 49,-0.1 -2,-0.2 -1,-0.1 -0.465 76.7 114.1 -79.6 75.1 59.1 10.6 20.9 42 45 A T + 0 0 29 -2,-2.3 -1,-0.1 1,-0.3 52,-0.1 0.570 60.4 19.9-106.7-106.6 57.2 9.5 24.0 43 46 A G S S- 0 0 37 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 -0.245 91.6 -82.6 -71.5 158.2 54.0 11.1 25.3 44 47 A K - 0 0 66 1,-0.1 -1,-0.1 -3,-0.1 46,-0.0 -0.379 54.9-110.0 -59.3 123.4 51.6 13.2 23.2 45 48 A P - 0 0 0 0, 0.0 177,-1.0 0, 0.0 2,-0.2 -0.312 41.2-168.9 -59.1 138.4 53.0 16.8 23.1 46 49 A H B > -F 221 0B 60 175,-0.2 3,-2.3 176,-0.1 175,-0.2 -0.575 42.0 -75.5-119.0-176.7 50.8 19.2 25.1 47 50 A V G > S+ 0 0 5 173,-2.6 3,-1.9 1,-0.3 4,-0.2 0.715 118.3 74.4 -56.1 -22.8 50.7 23.0 25.4 48 51 A A G > S+ 0 0 36 1,-0.3 3,-1.8 172,-0.2 -1,-0.3 0.765 81.0 73.8 -62.8 -23.0 53.8 23.1 27.6 49 52 A Y G <> S+ 0 0 33 -3,-2.3 4,-2.1 1,-0.3 -1,-0.3 0.673 76.2 77.1 -64.8 -16.1 55.8 22.5 24.4 50 53 A F H <> S+ 0 0 0 -3,-1.9 4,-1.6 -4,-0.2 -1,-0.3 0.769 85.7 65.5 -65.2 -21.2 55.1 26.1 23.4 51 54 A V H <> S+ 0 0 17 -3,-1.8 4,-1.3 -4,-0.2 3,-0.5 0.985 107.2 35.1 -66.2 -58.4 57.8 27.0 25.9 52 55 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.891 115.0 58.9 -65.3 -31.6 60.7 25.4 24.0 53 56 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.844 101.4 56.0 -62.2 -31.9 59.1 26.3 20.7 54 57 A S H X S+ 0 0 5 -4,-1.6 4,-1.7 -3,-0.5 -1,-0.2 0.856 107.2 47.6 -69.1 -34.9 59.3 29.9 21.7 55 58 A K H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.877 109.0 54.3 -72.8 -34.3 63.0 29.7 22.3 56 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 107.1 51.5 -62.3 -40.4 63.4 28.0 18.9 57 60 A A H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.903 109.1 50.8 -61.1 -41.0 61.5 31.0 17.5 58 61 A D H X S+ 0 0 2 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.902 107.6 52.8 -63.0 -42.4 64.0 33.2 19.2 59 62 A F H <>S+ 0 0 2 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.912 110.0 47.7 -61.4 -42.5 67.0 31.2 17.8 60 63 A L H ><5S+ 0 0 12 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.897 108.4 53.9 -66.5 -38.6 65.6 31.6 14.3 61 64 A K H 3<5S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 106.0 55.2 -63.8 -27.7 65.1 35.3 14.7 62 65 A A T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -29,-0.2 0.361 123.3-108.2 -85.9 4.9 68.7 35.5 15.8 63 66 A G T < 5 + 0 0 18 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.535 63.8 158.6 82.2 8.2 69.7 33.9 12.5 64 67 A C < - 0 0 3 -5,-2.4 2,-0.8 -6,-0.2 -30,-0.2 -0.212 48.0-122.2 -65.7 154.6 70.7 30.5 14.0 65 68 A E E -b 34 0A 101 -32,-2.7 -30,-2.6 47,-0.0 2,-0.4 -0.895 42.0-161.5 -94.6 110.1 70.8 27.3 12.0 66 69 A V E -b 35 0A 5 -2,-0.8 47,-2.4 45,-0.3 2,-0.4 -0.831 17.5-172.2-107.6 137.0 68.4 25.2 14.0 67 70 A T E -bd 36 113A 14 -32,-2.1 -30,-1.7 -2,-0.4 2,-0.5 -0.964 9.4-156.4-122.1 137.5 67.9 21.5 14.1 68 71 A I E -bd 37 114A 0 45,-3.1 47,-2.3 -2,-0.4 2,-0.5 -0.980 13.5-154.4-115.3 121.3 65.0 19.7 15.9 69 72 A L E -bd 38 115A 0 -32,-2.6 -30,-2.2 -2,-0.5 2,-1.0 -0.855 9.6-156.0-100.2 125.4 65.8 16.1 16.9 70 73 A F E -bd 39 116A 0 45,-2.9 47,-2.7 -2,-0.5 2,-1.8 -0.867 18.1-154.5 -98.2 99.0 63.1 13.5 17.3 71 74 A A E > +b 40 0A 0 -32,-2.2 4,-1.4 -2,-1.0 -30,-0.9 -0.547 31.0 157.8 -79.9 79.7 64.9 11.1 19.6 72 75 A D H > S+ 0 0 0 -2,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.893 73.3 50.5 -72.7 -39.8 63.1 7.9 18.8 73 76 A L H > S+ 0 0 19 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 109.5 53.2 -65.0 -37.3 65.9 5.6 20.0 74 77 A H H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 103.5 55.9 -64.5 -36.0 66.1 7.5 23.2 75 78 A A H < S+ 0 0 0 -4,-1.4 6,-1.8 1,-0.2 7,-0.3 0.890 111.2 45.3 -62.1 -37.3 62.4 7.1 23.8 76 79 A Y H X S+ 0 0 90 -4,-1.5 4,-1.6 4,-0.2 -2,-0.2 0.877 111.5 51.4 -72.9 -39.0 63.0 3.3 23.5 77 80 A L H < S+ 0 0 20 -4,-2.4 2,-1.5 1,-0.2 -1,-0.2 0.690 92.1 79.9 -72.4 -19.6 66.1 3.4 25.8 78 81 A D T < S- 0 0 6 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 -0.545 133.1 -62.6 -91.0 72.2 64.2 5.3 28.5 79 82 A N T 4 S- 0 0 56 -2,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 91.2 -70.8 53.2 40.0 62.3 2.3 30.0 80 83 A M < + 0 0 115 -4,-1.6 -1,-0.2 1,-0.2 -4,-0.2 0.902 65.9 176.0 44.6 58.2 60.5 1.8 26.7 81 84 A K S S+ 0 0 93 -6,-1.8 -1,-0.2 -3,-0.5 -5,-0.2 0.303 78.1 20.3 -72.6 13.8 58.3 4.8 26.9 82 85 A A S S- 0 0 1 -7,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.667 88.2-116.4 179.0 121.3 57.2 3.7 23.5 83 86 A P > - 0 0 59 0, 0.0 4,-1.3 0, 0.0 -7,-0.0 -0.172 31.8-112.8 -60.7 159.2 57.5 0.3 21.7 84 87 A W H > S+ 0 0 109 1,-0.2 4,-0.7 2,-0.2 -8,-0.0 0.800 115.4 53.1 -66.0 -29.6 59.6 0.1 18.6 85 88 A E H 4 S+ 0 0 174 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.885 113.7 41.5 -73.0 -38.7 56.6 -0.5 16.3 86 89 A L H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.640 96.1 82.8 -82.2 -15.7 54.8 2.5 17.6 87 90 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.922 90.2 48.9 -54.3 -48.9 57.9 4.6 17.6 88 91 A E H X S+ 0 0 71 -4,-0.7 4,-1.7 -3,-0.3 -1,-0.2 0.843 112.3 49.0 -62.2 -33.6 57.7 5.4 13.8 89 92 A L H > S+ 0 0 62 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.898 112.4 48.0 -71.7 -40.0 54.0 6.4 14.3 90 93 A R H X S+ 0 0 33 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.827 107.4 55.3 -70.2 -30.6 54.9 8.6 17.2 91 94 A V H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.938 110.2 47.5 -64.8 -43.6 57.8 10.2 15.3 92 95 A S H X S+ 0 0 47 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 112.2 48.5 -61.8 -45.2 55.2 11.1 12.6 93 96 A Y H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.936 113.6 47.5 -60.8 -46.9 52.8 12.4 15.2 94 97 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.925 111.8 49.5 -60.0 -47.7 55.6 14.5 16.8 95 98 A E H X S+ 0 0 54 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.938 114.3 45.3 -58.4 -48.0 56.8 15.9 13.4 96 99 A N H X S+ 0 0 44 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.924 117.7 41.6 -63.4 -46.8 53.3 16.9 12.4 97 100 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.848 114.8 49.7 -73.5 -33.4 52.3 18.5 15.7 98 101 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.903 112.4 48.1 -71.2 -39.4 55.6 20.2 16.3 99 102 A K H X S+ 0 0 63 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.884 110.3 53.5 -66.4 -35.5 55.5 21.7 12.8 100 103 A A H X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.895 108.3 49.2 -64.8 -41.5 51.9 22.7 13.4 101 104 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 111.2 49.4 -63.3 -45.5 52.9 24.6 16.6 102 105 A L H <>S+ 0 0 0 -4,-2.2 5,-3.3 1,-0.2 -2,-0.2 0.887 111.8 47.9 -62.9 -39.5 55.8 26.4 14.8 103 106 A E H ><5S+ 0 0 118 -4,-2.2 3,-1.4 3,-0.2 -1,-0.2 0.891 109.0 56.0 -68.1 -37.3 53.5 27.4 11.9 104 107 A S H 3<5S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.893 109.4 44.0 -61.6 -42.3 50.9 28.6 14.4 105 108 A I T 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.263 121.8-107.6 -88.2 13.8 53.4 30.9 16.2 106 109 A G T < 5 + 0 0 62 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.826 62.5 156.4 68.7 35.9 54.7 32.1 12.8 107 110 A V < - 0 0 10 -5,-3.3 2,-0.2 -6,-0.1 -1,-0.2 -0.831 46.1-119.8 -95.8 124.1 58.1 30.4 12.7 108 111 A P - 0 0 53 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.450 24.9-170.2 -64.1 125.3 59.4 29.9 9.2 109 112 A L > + 0 0 35 -2,-0.2 3,-0.8 1,-0.2 -6,-0.0 0.653 68.1 85.4 -90.6 -18.6 59.9 26.2 8.6 110 113 A E T 3 S+ 0 0 163 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.763 98.5 38.9 -55.3 -27.5 61.8 26.4 5.4 111 114 A K T 3 S+ 0 0 114 -3,-0.3 -45,-0.3 2,-0.1 -1,-0.2 0.583 94.0 98.9-100.8 -12.8 65.1 26.8 7.2 112 115 A L < - 0 0 14 -3,-0.8 2,-0.5 -4,-0.2 -45,-0.2 -0.513 64.4-140.8 -77.0 142.8 64.6 24.4 10.2 113 116 A K E -d 67 0A 112 -47,-2.4 -45,-3.1 -2,-0.2 2,-0.5 -0.917 13.0-164.3-108.2 125.2 66.1 21.0 10.0 114 117 A F E +d 68 0A 44 -2,-0.5 2,-0.3 -47,-0.2 -45,-0.2 -0.922 14.5 173.0-108.7 130.6 64.1 18.0 11.3 115 118 A I E -d 69 0A 23 -47,-2.3 -45,-2.9 -2,-0.5 2,-0.4 -0.993 25.4-138.1-140.8 146.1 66.0 14.8 11.9 116 119 A K E > -d 70 0A 42 -2,-0.3 3,-2.0 -47,-0.2 4,-0.3 -0.849 21.5-129.0-102.3 137.7 65.1 11.4 13.5 117 120 A G G >> S+ 0 0 0 -47,-2.7 4,-2.7 -2,-0.4 3,-2.2 0.910 106.8 56.0 -50.2 -52.1 67.6 9.8 15.8 118 121 A T G 34 S+ 0 0 24 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.564 87.1 82.2 -62.4 -6.0 67.5 6.4 14.0 119 122 A D G <4 S- 0 0 98 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.779 121.8 -3.7 -67.8 -24.4 68.5 8.2 10.8 120 123 A Y T X4 S+ 0 0 26 -3,-2.2 3,-1.5 -4,-0.3 6,-0.3 0.499 112.0 87.1-142.4 -15.3 72.1 8.1 12.1 121 124 A Q T 3< S+ 0 0 5 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.505 94.4 49.5 -72.8 -1.4 72.3 6.6 15.6 122 125 A L T 3 S+ 0 0 104 -4,-0.3 -1,-0.3 -5,-0.2 -4,-0.1 0.303 85.5 117.4-115.1 4.8 72.5 3.1 14.1 123 126 A S S <> S- 0 0 37 -3,-1.5 4,-2.6 1,-0.1 5,-0.2 -0.335 75.4-117.2 -71.4 154.7 75.3 3.9 11.7 124 127 A K H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 113.1 50.8 -60.0 -43.4 78.7 2.2 12.0 125 128 A E H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 113.1 45.1 -62.8 -43.2 80.6 5.4 12.7 126 129 A Y H > S+ 0 0 1 -6,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.929 113.0 51.0 -65.8 -44.8 78.2 6.4 15.5 127 130 A T H X S+ 0 0 48 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 106.7 54.1 -60.6 -41.3 78.1 2.9 17.0 128 131 A L H X S+ 0 0 103 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.897 108.6 50.1 -60.1 -38.5 81.9 2.9 17.0 129 132 A D H X S+ 0 0 8 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.826 104.9 57.3 -69.9 -30.5 81.8 6.1 19.0 130 133 A V H X S+ 0 0 27 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.934 110.7 43.6 -64.4 -43.9 79.3 4.7 21.4 131 134 A Y H X S+ 0 0 154 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.883 112.8 51.6 -68.9 -37.0 81.8 1.9 22.2 132 135 A R H >< S+ 0 0 103 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.937 111.9 47.5 -63.9 -43.5 84.7 4.3 22.4 133 136 A L H >X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 3,-1.6 0.903 106.5 57.5 -63.3 -40.1 82.7 6.4 24.8 134 137 A S H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 98.5 62.2 -63.2 -23.4 81.8 3.3 26.9 135 138 A S T << S+ 0 0 91 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.630 116.2 28.5 -77.8 -13.7 85.5 2.7 27.3 136 139 A V T <4 S+ 0 0 63 -3,-1.6 2,-0.5 -4,-0.4 -2,-0.2 0.604 101.2 87.9-118.4 -21.4 86.0 5.9 29.2 137 140 A V S < S- 0 0 26 -4,-2.3 2,-0.1 -5,-0.1 28,-0.0 -0.694 71.0-137.4 -85.1 127.8 82.6 6.6 30.8 138 141 A T > - 0 0 67 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.482 17.8-121.5 -82.0 153.5 82.2 5.0 34.2 139 142 A Q H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 115.7 56.3 -56.7 -40.4 79.0 3.3 35.3 140 143 A H H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 107.8 44.0 -56.3 -55.0 78.9 5.8 38.1 141 144 A D H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 112.7 52.8 -61.9 -38.1 79.0 8.9 35.8 142 145 A S H X S+ 0 0 8 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.910 111.3 45.4 -65.6 -42.1 76.5 7.5 33.4 143 146 A K H < S+ 0 0 118 -4,-2.3 4,-0.4 -5,-0.2 3,-0.2 0.909 115.3 47.9 -67.0 -41.7 74.0 6.7 36.2 144 147 A K H >< S+ 0 0 121 -4,-2.4 3,-0.9 -5,-0.2 4,-0.3 0.871 105.8 58.5 -66.6 -39.1 74.6 10.2 37.7 145 148 A A H 3< S+ 0 0 4 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.826 112.0 39.0 -62.5 -33.6 74.2 12.0 34.4 146 149 A G T >X S+ 0 0 1 -4,-1.2 4,-2.3 -3,-0.2 3,-1.5 0.366 80.1 111.5-100.9 8.4 70.7 10.7 33.7 147 150 A A T <4 S+ 0 0 40 -3,-0.9 -1,-0.2 -4,-0.4 5,-0.1 0.803 87.5 34.7 -49.3 -39.6 69.3 10.9 37.3 148 151 A E T 34 S+ 0 0 111 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.428 126.6 39.2 -98.1 -0.0 66.9 13.8 36.5 149 152 A V T <4 S+ 0 0 19 -3,-1.5 2,-0.2 1,-0.1 -2,-0.2 0.793 100.2 63.6-114.1 -53.2 66.1 12.7 32.9 150 153 A V S < S- 0 0 15 -4,-2.3 -1,-0.1 1,-0.1 2,-0.1 -0.552 95.9 -96.7 -79.3 141.4 65.8 8.9 32.7 151 154 A K - 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0 0 4 -5,-1.9 -141,-0.2 -6,-0.2 -1,-0.2 -0.567 50.3-145.5-103.7 167.8 76.1 21.8 16.2 177 180 A D S S+ 0 0 29 -143,-2.8 28,-2.6 1,-0.2 2,-0.3 0.591 84.7 12.8 -99.6 -21.9 77.8 24.5 18.3 178 181 A A E -ce 35 205A 0 -144,-1.6 -142,-1.2 26,-0.2 2,-0.4 -0.979 59.2-142.1-153.4 162.1 75.2 24.3 21.1 179 182 A Q E -ce 36 206A 2 26,-2.0 28,-2.4 -2,-0.3 2,-0.4 -0.992 15.0-154.9-130.3 138.1 72.3 22.4 22.5 180 183 A F E + e 0 207A 2 -144,-2.5 -142,-0.5 -2,-0.4 2,-0.3 -0.911 32.1 127.2-112.6 140.3 69.2 23.9 24.1 181 184 A G E - e 0 208A 4 26,-2.2 28,-2.6 -2,-0.4 2,-0.1 -0.946 57.1 -61.5-169.0-175.2 67.1 22.2 26.7 182 185 A G E > - e 0 209A 18 -2,-0.3 3,-2.2 26,-0.2 4,-0.1 -0.383 50.9-106.7 -79.3 164.7 65.5 22.5 30.1 183 186 A I G > S+ 0 0 26 26,-1.9 3,-1.7 1,-0.3 4,-0.2 0.709 116.5 75.1 -63.9 -16.9 67.6 22.9 33.2 184 187 A D G 3 S+ 0 0 46 1,-0.3 -1,-0.3 25,-0.2 3,-0.3 0.635 88.5 60.3 -70.3 -10.4 66.7 19.3 34.0 185 188 A Q G X> S+ 0 0 7 -3,-2.2 4,-2.4 1,-0.2 3,-1.1 0.457 74.1 105.8 -92.3 -2.4 69.2 18.3 31.3 186 189 A R H <> S+ 0 0 88 -3,-1.7 4,-2.6 1,-0.3 5,-0.3 0.839 75.5 50.4 -48.2 -46.0 72.1 20.0 33.2 187 190 A K H 3> S+ 0 0 77 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.805 112.9 47.2 -66.3 -28.3 73.8 16.8 34.3 188 191 A I H <> S+ 0 0 1 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.874 111.9 52.0 -77.4 -36.8 73.7 15.4 30.8 189 192 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.898 111.4 44.2 -65.2 -42.7 75.0 18.7 29.5 190 193 A T H X S+ 0 0 56 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.867 111.4 55.8 -70.3 -33.2 78.0 18.8 31.9 191 194 A F H X S+ 0 0 11 -4,-1.3 4,-2.6 -5,-0.3 5,-0.2 0.914 108.7 47.7 -61.5 -43.8 78.6 15.1 31.1 192 195 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.861 108.7 53.5 -67.4 -35.5 78.8 16.0 27.4 193 196 A E H < S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.0 42.1 -69.0 -28.9 81.2 18.9 28.1 194 197 A K H < S+ 0 0 124 -4,-1.6 4,-0.3 -5,-0.1 -2,-0.2 0.895 122.3 34.9 -83.2 -44.0 83.5 16.5 30.0 195 198 A Y H X S+ 0 0 15 -4,-2.6 4,-0.7 -5,-0.2 3,-0.5 0.750 100.5 68.3 -89.0 -27.3 83.4 13.5 27.8 196 199 A L T ><>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.2 3,-1.7 0.933 100.1 53.8 -60.0 -41.5 83.2 14.7 24.2 197 200 A P G >45S+ 0 0 62 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.817 98.9 64.3 -60.9 -27.3 86.7 16.1 24.4 198 201 A A G 345S+ 0 0 58 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.753 104.6 46.1 -66.2 -23.1 87.8 12.6 25.5 199 202 A L G <<5S- 0 0 4 -3,-1.7 -1,-0.3 -4,-0.7 -3,-0.1 0.224 127.3-100.1-102.0 11.4 86.8 11.4 22.1 200 203 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.568 85.0 126.7 82.1 8.9 88.5 14.3 20.3 201 204 A Y < - 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0 0 65 -2,-0.5 4,-2.6 1,-0.1 3,-0.3 -0.420 16.8-121.2 -74.9 147.9 42.2 39.3 38.8 294 306 A P H > S+ 0 0 28 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.903 113.6 54.1 -54.1 -42.9 43.0 35.6 38.3 295 307 A G H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 111.5 43.5 -59.9 -40.3 39.8 35.1 36.3 296 308 A D H > S+ 0 0 30 -3,-0.3 4,-2.3 2,-0.2 -30,-0.5 0.858 112.4 52.8 -74.7 -34.7 40.7 37.9 33.9 297 309 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.949 113.0 44.8 -63.7 -46.8 44.3 36.7 33.6 298 310 A K H X S+ 0 0 38 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.902 112.4 50.8 -63.5 -42.4 43.1 33.2 32.8 299 311 A N H X S+ 0 0 63 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.895 109.3 51.5 -63.0 -39.1 40.5 34.5 30.3 300 312 A S H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.867 113.9 43.4 -65.9 -36.8 43.2 36.6 28.6 301 313 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.864 109.9 57.5 -75.8 -35.8 45.4 33.5 28.2 302 314 A E H X S+ 0 0 17 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.916 107.7 46.9 -59.9 -44.8 42.5 31.4 27.2 303 315 A V H X S+ 0 0 70 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.943 115.9 44.7 -62.7 -47.9 41.7 33.7 24.2 304 316 A A H X S+ 0 0 27 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.882 113.0 51.1 -64.5 -40.5 45.4 33.8 23.2 305 317 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 3,-0.4 0.907 106.8 52.5 -66.1 -42.4 45.9 30.1 23.6 306 318 A N H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.835 105.5 56.5 -63.6 -29.0 42.8 29.2 21.5 307 319 A K H < S+ 0 0 153 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.9 45.5 -68.2 -33.4 44.3 31.4 18.8 308 320 A L H < S+ 0 0 9 -4,-1.2 4,-0.4 -3,-0.4 -2,-0.2 0.855 117.4 43.4 -76.4 -36.4 47.4 29.3 18.9 309 321 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.5 0.784 94.2 79.3 -81.5 -28.3 45.5 26.0 18.9 310 322 A D H 3X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.3 5,-0.2 0.905 95.6 43.8 -47.6 -56.2 42.9 26.8 16.2 311 323 A P H 3> S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.828 115.7 51.1 -61.6 -28.5 45.1 26.2 13.2 312 324 A I H <> S+ 0 0 1 -3,-0.5 4,-2.0 -4,-0.4 -2,-0.2 0.919 109.5 47.5 -73.2 -45.6 46.5 23.1 14.8 313 325 A R H < S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.848 113.8 49.7 -64.6 -33.1 43.1 21.6 15.6 314 326 A E H >< S+ 0 0 125 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.904 107.4 53.7 -71.9 -41.4 42.0 22.4 12.0 315 327 A K H 3< S+ 0 0 66 -4,-1.9 -2,-0.2 1,-0.3 6,-0.2 0.911 111.5 44.9 -59.1 -44.7 45.1 20.8 10.5 316 328 A F T 3< S+ 0 0 15 -4,-2.0 2,-0.8 1,-0.2 -1,-0.3 0.269 84.1 101.9 -84.7 12.2 44.5 17.5 12.4 317 329 A N < + 0 0 121 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.263 62.3 100.9 -90.3 48.0 40.8 17.6 11.5 318 330 A T S > S- 0 0 55 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.913 82.1-117.6-130.2 156.8 41.3 15.0 8.7 319 331 A P H > S+ 0 0 113 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.890 114.4 50.4 -59.0 -39.8 40.7 11.2 8.4 320 332 A A H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.952 115.0 39.2 -64.4 -53.8 44.4 10.6 7.9 321 333 A L H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.816 113.9 55.5 -68.4 -30.8 45.7 12.6 10.9 322 334 A K H X S+ 0 0 149 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.885 109.2 48.5 -67.5 -36.7 42.8 11.4 13.1 323 335 A K H X S+ 0 0 150 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.894 110.2 51.1 -68.4 -41.8 43.9 7.9 12.2 324 336 A L H X S+ 0 0 25 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.927 106.5 54.0 -61.7 -47.1 47.5 8.6 13.0 325 337 A A H X S+ 0 0 19 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.912 113.6 42.2 -54.2 -46.3 46.6 10.1 16.4 326 338 A S H < S+ 0 0 75 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.872 115.7 49.0 -69.8 -38.6 44.8 6.9 17.4 327 339 A A H < S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 111.8 48.4 -68.6 -40.3 47.4 4.6 16.0 328 340 A A H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 125.6 29.3 -70.6 -28.9 50.3 6.4 17.7 329 341 A Y < 0 0 38 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.653 360.0 360.0-135.7 78.8 48.4 6.4 21.0 330 342 A P 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.961 360.0 360.0 -57.4 360.0 46.1 3.4 21.4 331 ! 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 0.0 332 401 A X 0 0 35 0, 0.0 -293,-0.2 0, 0.0 -150,-0.1 0.000 360.0 360.0 360.0 360.0 66.0 14.7 26.4