==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-11 3ZTP . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR F.BOISSIER,F.GEORGESCAULD,L.MOYNIE,J.-W.DUPUY,C.SARGER,M.POD . 282 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.6 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 1 4 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 2 2 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 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 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 A 0 0 84 0, 0.0 79,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.2 4.2 13.2 -9.5 2 3 A V E +A 79 0A 96 77,-0.3 2,-0.3 78,-0.1 77,-0.3 -0.596 360.0 177.6 -71.2 130.5 7.9 12.5 -8.7 3 4 A E E -A 78 0A 53 75,-2.6 75,-2.2 -2,-0.3 2,-0.4 -0.855 26.7-135.1-131.9 161.8 8.2 9.0 -7.2 4 5 A R E +A 77 0A 101 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.966 24.0 178.0-116.9 140.8 10.8 6.6 -5.9 5 6 A T E -A 76 0A 0 71,-2.4 71,-2.7 -2,-0.4 2,-0.5 -0.944 23.4-124.7-136.1 158.0 10.8 2.9 -6.8 6 7 A L E -A 75 0A 0 -2,-0.3 115,-1.8 69,-0.2 2,-0.4 -0.905 21.1-172.3-104.7 132.7 13.1 0.1 -5.9 7 8 A I E -AB 74 120A 0 67,-2.6 67,-2.2 -2,-0.5 2,-0.4 -0.922 4.5-165.1-113.0 148.7 14.8 -2.2 -8.5 8 9 A I E -AB 73 119A 0 111,-2.1 111,-2.4 -2,-0.4 2,-0.6 -0.982 15.5-143.0-128.2 124.2 16.8 -5.3 -7.8 9 10 A V E -AB 72 118A 1 63,-3.2 63,-1.4 -2,-0.4 109,-0.3 -0.771 31.6-137.1 -82.8 118.4 19.0 -6.9 -10.4 10 11 A K > - 0 0 15 107,-2.2 4,-2.3 -2,-0.6 3,-0.4 -0.220 20.4 -99.8 -83.3 167.0 18.6 -10.6 -9.8 11 12 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.787 118.6 59.6 -62.5 -27.6 21.3 -13.2 -9.8 12 13 A D H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.943 110.8 40.3 -61.3 -48.7 20.5 -14.4 -13.3 13 14 A A H >>S+ 0 0 0 -3,-0.4 5,-2.3 2,-0.2 4,-0.5 0.847 113.4 56.0 -69.7 -33.7 21.2 -11.0 -14.8 14 15 A M H ><5S+ 0 0 40 -4,-2.3 3,-1.4 1,-0.2 5,-0.2 0.961 109.7 45.1 -59.0 -49.0 24.2 -10.6 -12.5 15 16 A E H 3<5S+ 0 0 159 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.809 108.0 57.8 -68.4 -29.4 25.7 -13.8 -13.8 16 17 A K H 3<5S- 0 0 129 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.570 113.9-119.0 -73.9 -11.4 24.9 -12.8 -17.4 17 18 A G T <<5S+ 0 0 55 -3,-1.4 3,-0.3 -4,-0.5 4,-0.3 0.731 74.8 129.2 79.6 25.0 27.0 -9.6 -16.9 18 19 A A >< + 0 0 2 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 0.443 31.1 102.1 -93.6 0.3 24.1 -7.3 -17.5 19 20 A L H > S+ 0 0 46 -6,-0.4 4,-2.5 -5,-0.2 5,-0.2 0.884 84.7 44.1 -55.4 -48.7 24.3 -5.0 -14.4 20 21 A G H > S+ 0 0 49 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.916 113.0 50.7 -65.1 -41.5 25.9 -2.1 -16.2 21 22 A K H > S+ 0 0 134 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.891 111.4 50.0 -62.6 -37.9 23.7 -2.2 -19.2 22 23 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.948 112.3 45.5 -67.7 -47.3 20.6 -2.3 -16.9 23 24 A L H X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.926 110.7 55.3 -60.5 -42.8 21.7 0.7 -14.9 24 25 A D H X S+ 0 0 84 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.913 104.4 54.5 -55.3 -45.0 22.6 2.6 -18.1 25 26 A R H X S+ 0 0 47 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.938 109.0 45.9 -58.2 -46.8 19.1 2.0 -19.4 26 27 A F H <>S+ 0 0 0 -4,-1.7 5,-2.1 1,-0.2 -1,-0.2 0.891 112.4 51.4 -67.2 -35.2 17.5 3.6 -16.4 27 28 A I H ><5S+ 0 0 79 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.946 111.3 47.7 -61.2 -47.6 19.9 6.5 -16.4 28 29 A Q H 3<5S+ 0 0 132 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.790 103.3 61.7 -69.1 -24.6 19.1 7.1 -20.1 29 30 A E T 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 125.3-102.0 -78.3 -1.7 15.4 6.9 -19.4 30 31 A G T < 5S+ 0 0 49 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.593 72.3 142.1 100.5 10.9 15.9 10.0 -17.1 31 32 A F < - 0 0 5 -5,-2.1 2,-0.5 47,-0.1 -1,-0.3 -0.623 46.0-132.8 -88.0 145.1 15.8 8.5 -13.6 32 33 A Q E -C 77 0A 121 45,-2.6 45,-2.5 -2,-0.3 2,-0.7 -0.843 16.0-135.8 -89.2 126.7 18.0 9.6 -10.8 33 34 A I E +C 76 0A 52 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.793 27.9 174.9 -82.4 113.9 19.8 6.8 -8.9 34 35 A K E + 0 0 46 41,-2.8 107,-2.6 -2,-0.7 2,-0.3 0.567 65.7 9.4 -96.8 -18.4 19.3 7.9 -5.3 35 36 A A E -C 75 0A 5 40,-0.9 40,-1.9 105,-0.2 2,-0.3 -0.960 62.3-179.2-159.1 151.7 20.8 4.8 -3.7 36 37 A L E +C 74 0A 91 103,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.936 9.2 161.1-159.6 132.3 22.8 1.8 -4.9 37 38 A K E -C 73 0A 53 36,-2.2 36,-2.4 -2,-0.3 2,-0.5 -0.952 30.7-142.8-159.0 132.7 24.2 -1.3 -3.2 38 39 A M E +C 72 0A 112 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.833 43.5 145.4 -89.0 132.9 25.5 -4.8 -3.9 39 40 A F E -C 71 0A 26 32,-2.1 32,-2.8 -2,-0.5 2,-0.5 -0.908 44.3-117.4-153.3 175.9 24.5 -7.2 -1.1 40 41 A R - 0 0 146 -2,-0.3 2,-0.3 30,-0.2 27,-0.1 -0.979 21.8-138.4-127.7 117.5 23.5 -10.8 -0.5 41 42 A F - 0 0 1 25,-0.5 28,-0.1 -2,-0.5 239,-0.0 -0.579 14.7-138.1 -63.9 131.1 20.1 -11.7 0.9 42 43 A T > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.496 32.6-106.1 -69.5 160.3 20.1 -14.5 3.5 43 44 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.915 123.0 52.8 -56.8 -38.5 17.2 -16.9 2.9 44 45 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.929 110.6 45.4 -62.6 -45.6 15.5 -15.4 5.9 45 46 A K H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 111.3 52.1 -67.9 -41.1 15.8 -11.8 4.6 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 109.6 51.3 -59.5 -40.7 14.7 -12.7 1.1 47 48 A G H < S+ 0 0 15 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.884 111.1 46.9 -62.3 -40.5 11.6 -14.4 2.7 48 49 A E H >< S+ 0 0 93 -4,-2.0 3,-1.4 2,-0.2 -1,-0.2 0.895 110.3 52.3 -67.6 -41.8 10.8 -11.3 4.7 49 50 A F H 3< S+ 0 0 7 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.924 118.9 37.1 -58.9 -42.7 11.3 -9.0 1.7 50 51 A Y T >< S+ 0 0 8 -4,-2.3 3,-2.2 1,-0.2 -1,-0.3 -0.021 77.0 132.1 -98.3 28.7 8.9 -11.2 -0.3 51 52 A Y G X + 0 0 87 -3,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.781 64.5 64.7 -56.2 -29.1 6.5 -11.9 2.6 52 53 A V G 3 S+ 0 0 74 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.801 102.3 50.1 -63.2 -26.6 3.5 -11.1 0.5 53 54 A H G X S+ 0 0 65 -3,-2.2 3,-2.3 1,-0.2 -1,-0.3 0.372 75.1 111.8 -91.9 5.4 4.2 -14.1 -1.7 54 55 A R T < S+ 0 0 146 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.734 83.8 38.5 -60.9 -25.2 4.7 -16.7 1.2 55 56 A E T 3 S+ 0 0 171 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.361 100.4 99.8-102.6 6.9 1.5 -18.6 0.3 56 57 A R S X S- 0 0 128 -3,-2.3 3,-1.5 1,-0.1 -3,-0.0 -0.492 84.8 -78.1 -94.3 158.0 2.0 -18.4 -3.5 57 58 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.220 112.4 10.3 -49.5 137.9 3.4 -20.9 -6.0 58 59 A F T 3> S+ 0 0 152 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 0.630 79.5 138.5 67.7 19.8 7.1 -21.2 -6.2 59 60 A F H <> S+ 0 0 27 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.930 72.4 49.9 -58.6 -45.3 7.8 -19.1 -3.0 60 61 A Q H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 111.8 48.6 -62.2 -40.0 10.5 -21.4 -1.8 61 62 A E H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.873 110.0 52.5 -66.5 -39.7 12.2 -21.3 -5.2 62 63 A L H X S+ 0 0 34 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 111.2 46.3 -58.2 -46.5 11.9 -17.5 -5.2 63 64 A V H X S+ 0 0 11 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.927 114.6 46.6 -65.6 -44.6 13.6 -17.3 -1.8 64 65 A E H >< S+ 0 0 136 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.945 114.9 47.2 -61.4 -47.5 16.3 -19.8 -2.8 65 66 A F H >< S+ 0 0 24 -4,-2.8 3,-1.7 1,-0.2 4,-0.3 0.936 111.3 49.8 -59.1 -48.4 17.0 -18.0 -6.1 66 67 A M H 3< S+ 0 0 0 -4,-2.7 -25,-0.5 1,-0.3 -1,-0.2 0.616 116.8 41.8 -72.1 -12.0 17.1 -14.5 -4.6 67 68 A S T << S+ 0 0 10 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.201 90.2 93.8-110.6 11.3 19.5 -15.7 -1.9 68 69 A S S < S- 0 0 56 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.561 99.9 -14.6 -85.9 -9.6 21.7 -17.8 -4.3 69 70 A G S S- 0 0 7 -4,-0.3 -28,-0.4 -28,-0.1 -1,-0.1 -0.960 93.6 -54.7-175.3 173.2 24.2 -15.1 -5.0 70 71 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.240 47.9-167.0 -64.7 154.5 24.7 -11.3 -4.7 71 72 A V E - C 0 39A 0 -32,-2.8 -32,-2.1 -57,-0.1 2,-0.4 -0.845 14.5-132.4-129.1 167.8 22.2 -8.8 -6.1 72 73 A V E -AC 9 38A 6 -63,-1.4 -63,-3.2 -2,-0.3 2,-0.3 -0.991 18.9-167.0-126.1 127.0 22.2 -5.1 -6.7 73 74 A A E -AC 8 37A 0 -36,-2.4 -36,-2.2 -2,-0.4 2,-0.3 -0.834 5.3-176.9-109.1 150.7 19.5 -2.8 -5.6 74 75 A A E -AC 7 36A 1 -67,-2.2 -67,-2.6 -2,-0.3 2,-0.6 -0.994 23.8-135.9-141.9 144.6 18.9 0.8 -6.6 75 76 A V E -AC 6 35A 0 -40,-1.9 -41,-2.8 -2,-0.3 -40,-0.9 -0.923 25.9-161.0 -96.6 125.7 16.4 3.5 -5.7 76 77 A L E -AC 5 33A 0 -71,-2.7 -71,-2.4 -2,-0.6 2,-0.4 -0.922 4.6-165.7-110.0 132.7 15.2 5.3 -8.9 77 78 A E E +AC 4 32A 44 -45,-2.5 -45,-2.6 -2,-0.4 2,-0.3 -0.955 29.4 104.2-121.9 133.9 13.6 8.7 -8.7 78 79 A G E > S-A 3 0A 12 -75,-2.2 -75,-2.6 -2,-0.4 3,-1.7 -0.950 70.1 -48.3 175.0 172.1 11.6 10.5 -11.4 79 80 A E E 3 S-A 2 0A 100 1,-0.3 -77,-0.3 -2,-0.3 5,-0.1 -0.374 123.4 -8.3 -57.4 128.6 8.2 11.5 -12.7 80 81 A D T 3> S+ 0 0 58 -79,-2.8 4,-2.5 1,-0.1 -1,-0.3 0.801 88.3 162.3 54.8 35.5 5.7 8.6 -12.6 81 82 A A H <> + 0 0 0 -3,-1.7 4,-2.6 -80,-0.3 5,-0.3 0.825 61.2 56.7 -59.9 -38.8 8.7 6.3 -11.8 82 83 A I H > S+ 0 0 14 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.971 116.1 34.4 -63.6 -50.2 6.8 3.4 -10.5 83 84 A K H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 118.5 52.2 -68.7 -41.2 4.7 2.9 -13.7 84 85 A R H X S+ 0 0 66 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.916 108.2 50.5 -66.8 -40.8 7.5 3.9 -16.0 85 86 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.919 109.1 52.1 -63.4 -38.4 10.0 1.5 -14.5 86 87 A R H X S+ 0 0 119 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.850 109.2 50.5 -67.7 -28.8 7.5 -1.3 -14.9 87 88 A E H < S+ 0 0 118 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.852 110.4 50.0 -71.8 -37.1 7.0 -0.4 -18.6 88 89 A I H < S+ 0 0 12 -4,-2.0 17,-2.2 1,-0.2 -2,-0.2 0.868 111.7 46.8 -69.4 -36.6 10.8 -0.4 -19.1 89 90 A I H < S- 0 0 4 -4,-2.2 17,-2.7 15,-0.2 18,-0.4 0.850 101.0-152.1 -79.9 -29.6 11.3 -3.8 -17.5 90 91 A G < - 0 0 10 -4,-1.7 -1,-0.1 -5,-0.2 -2,-0.1 -0.172 37.2 -16.3 90.4 176.5 8.4 -5.5 -19.4 91 92 A P - 0 0 46 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.167 62.4-116.4 -57.3 147.2 6.1 -8.4 -18.6 92 93 A T S S+ 0 0 87 1,-0.1 2,-0.9 4,-0.1 20,-0.1 0.842 104.4 73.2 -48.1 -43.5 7.0 -10.8 -15.8 93 94 A D S > S- 0 0 58 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.694 75.4-156.2 -81.8 107.6 7.3 -13.6 -18.3 94 95 A S H > S+ 0 0 0 18,-1.1 4,-1.7 -2,-0.9 -1,-0.2 0.778 92.4 55.3 -57.5 -30.7 10.5 -12.8 -20.2 95 96 A E H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.905 108.6 46.7 -69.6 -43.5 9.3 -14.8 -23.2 96 97 A E H > S+ 0 0 83 -3,-0.4 4,-2.2 1,-0.2 3,-0.3 0.878 108.5 57.6 -63.6 -36.6 6.2 -12.7 -23.4 97 98 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -6,-0.2 7,-0.3 0.909 103.1 52.9 -59.7 -41.7 8.4 -9.6 -23.0 98 99 A R H < S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.825 111.2 48.2 -63.2 -28.8 10.4 -10.6 -26.1 99 100 A K H < S+ 0 0 158 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.888 127.9 20.1 -76.1 -41.5 7.1 -10.9 -28.1 100 101 A V H < S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.608 135.2 25.2-109.6 -15.7 5.6 -7.5 -27.0 101 102 A A >< + 0 0 28 -4,-3.1 3,-2.3 -5,-0.3 6,-0.3 -0.535 61.9 177.8-148.8 74.2 8.5 -5.3 -25.8 102 103 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.712 81.6 46.5 -62.6 -25.0 11.7 -6.4 -27.4 103 104 A N T 3 S+ 0 0 94 4,-0.1 -5,-0.1 -6,-0.1 2,-0.1 0.246 85.9 118.3 -99.5 12.0 13.9 -3.7 -25.8 104 105 A S S <> S- 0 0 3 -3,-2.3 4,-2.5 -7,-0.3 -15,-0.2 -0.360 78.9-111.7 -71.0 158.6 12.5 -4.2 -22.3 105 106 A I H > S+ 0 0 2 -17,-2.2 4,-2.6 1,-0.2 5,-0.5 0.921 118.5 47.0 -57.7 -44.9 14.9 -5.3 -19.6 106 107 A R H > S+ 0 0 24 -17,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.881 111.8 50.2 -69.4 -35.2 13.2 -8.7 -19.3 107 108 A A H 4 S+ 0 0 6 -18,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.914 117.6 40.7 -63.7 -42.1 13.2 -9.2 -23.1 108 109 A Q H < S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.866 137.1 9.2 -74.8 -37.2 16.9 -8.3 -23.3 109 110 A F H < S+ 0 0 37 -4,-2.6 2,-0.3 -5,-0.2 8,-0.2 0.476 99.1 102.7-128.1 -10.9 18.2 -10.1 -20.2 110 111 A G < - 0 0 4 -4,-1.8 6,-0.2 -5,-0.5 3,-0.1 -0.585 44.8-165.3 -83.6 143.9 15.5 -12.3 -18.7 111 112 A T - 0 0 62 4,-2.5 5,-0.2 -2,-0.3 2,-0.2 0.908 64.0 -32.2 -89.4 -49.9 15.4 -16.1 -19.2 112 113 A D S S- 0 0 66 3,-1.9 -18,-1.1 -18,-0.1 -1,-0.2 -0.625 82.7 -63.3-154.6-158.4 11.9 -17.1 -18.2 113 114 A K S S+ 0 0 146 -20,-0.2 3,-0.2 -2,-0.2 -3,-0.0 0.633 131.7 33.2 -84.1 -11.9 9.1 -16.1 -15.9 114 115 A G S S+ 0 0 42 1,-0.2 2,-1.7 3,-0.0 -1,-0.1 0.799 118.7 47.7-102.8 -56.9 11.1 -16.8 -12.7 115 116 A K S S+ 0 0 106 1,-0.2 -4,-2.5 -103,-0.1 -3,-1.9 -0.673 75.0 147.2 -83.7 81.7 14.7 -16.0 -13.8 116 117 A N - 0 0 4 -2,-1.7 2,-2.0 -6,-0.2 -6,-0.2 -0.107 57.2-120.6-120.4 32.4 13.5 -12.7 -15.2 117 118 A A S S+ 0 0 0 -8,-0.2 -107,-2.2 -108,-0.1 2,-0.3 -0.088 78.6 35.9 73.7 -40.2 16.5 -10.4 -14.6 118 119 A I E -B 9 0A 0 -2,-2.0 2,-0.4 -109,-0.3 -109,-0.2 -0.999 54.7-148.2-156.3 144.7 15.0 -7.7 -12.4 119 120 A H E -B 8 0A 20 -111,-2.4 -111,-2.1 -2,-0.3 2,-0.3 -0.929 19.5-178.2-106.5 140.9 12.5 -6.9 -9.7 120 121 A A E -B 7 0A 11 -2,-0.4 -113,-0.2 -113,-0.2 -2,-0.0 -0.997 35.8 -99.6-136.1 146.9 10.7 -3.5 -9.5 121 122 A S - 0 0 0 -115,-1.8 -35,-0.1 -2,-0.3 -36,-0.0 -0.246 26.6-151.8 -56.4 143.4 8.2 -2.2 -6.9 122 123 A D + 0 0 107 1,-0.1 -1,-0.1 -36,-0.0 3,-0.1 0.405 68.1 8.2-105.9 6.0 4.6 -2.6 -8.1 123 124 A S S > S- 0 0 28 1,-0.1 4,-2.7 -41,-0.0 5,-0.2 -0.973 79.3 -96.2-168.9 168.2 3.0 0.3 -6.2 124 125 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.899 122.6 47.7 -59.6 -40.8 3.7 3.3 -4.0 125 126 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.902 113.3 46.0 -71.9 -40.5 3.1 1.3 -0.8 126 127 A S H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.908 110.5 54.9 -70.5 -35.5 5.2 -1.6 -1.8 127 128 A A H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.924 106.6 51.5 -58.5 -44.3 8.0 0.8 -3.0 128 129 A Q H X S+ 0 0 118 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.944 114.5 42.6 -59.2 -48.4 7.9 2.4 0.5 129 130 A Y H X S+ 0 0 81 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.930 117.2 45.8 -60.0 -48.3 8.3 -1.0 2.2 130 131 A E H X S+ 0 0 18 -4,-3.0 4,-1.4 2,-0.2 5,-0.2 0.899 110.6 51.4 -69.9 -40.8 10.9 -2.4 -0.2 131 132 A I H >X S+ 0 0 16 -4,-3.0 4,-3.1 -5,-0.3 3,-0.5 0.953 113.2 46.2 -59.6 -49.0 13.1 0.8 -0.2 132 133 A a H 3< S+ 0 0 32 -4,-1.9 147,-1.9 -5,-0.3 148,-0.2 0.790 106.1 60.6 -64.5 -28.4 13.2 0.7 3.6 133 134 A F H 3< S+ 0 0 12 -4,-1.7 147,-1.6 145,-0.3 -1,-0.2 0.896 120.6 23.4 -64.3 -37.0 13.9 -3.0 3.6 134 135 A I H << S+ 0 0 0 -4,-1.4 2,-0.4 -3,-0.5 -2,-0.2 0.817 125.8 36.5 -98.2 -38.0 17.1 -2.5 1.7 135 136 A F < - 0 0 3 -4,-3.1 -1,-0.2 -5,-0.2 2,-0.1 -0.974 62.5-146.0-128.3 132.2 18.2 1.1 2.3 136 137 A S > - 0 0 1 -2,-0.4 3,-1.6 140,-0.2 4,-0.3 -0.422 38.7-104.4 -79.5 166.1 18.0 3.5 5.3 137 138 A G G > S+ 0 0 10 137,-1.6 3,-1.2 1,-0.3 139,-0.2 0.823 122.0 64.7 -55.6 -32.3 17.5 7.2 4.8 138 139 A L G 3 S+ 0 0 41 137,-1.5 -1,-0.3 1,-0.2 138,-0.1 0.723 99.4 53.0 -64.9 -22.6 21.2 7.6 5.5 139 140 A E G < S+ 0 0 58 -3,-1.6 2,-0.6 136,-0.1 -103,-0.3 0.423 85.4 93.7 -91.4 -3.9 22.0 5.7 2.3 140 141 A I < 0 0 20 -3,-1.2 -105,-0.2 -4,-0.3 -106,-0.1 -0.836 360.0 360.0 -94.2 117.2 19.8 7.8 0.1 141 142 A V 0 0 144 -107,-2.6 -2,-0.1 -2,-0.6 -3,-0.0 -0.824 360.0 360.0-138.3 360.0 22.1 10.5 -1.4 142 !* 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 0.0 143 2 C A 0 0 87 0, 0.0 79,-2.4 0, 0.0 80,-0.4 0.000 360.0 360.0 360.0 159.9 1.4 -5.3 21.5 144 3 C V E +D 221 0B 96 77,-0.3 2,-0.3 78,-0.1 77,-0.3 -0.599 360.0 173.9 -70.1 127.5 5.1 -5.9 20.8 145 4 C E E -D 220 0B 54 75,-2.4 75,-2.4 -2,-0.4 2,-0.4 -0.880 28.5-130.2-133.4 162.9 6.4 -2.7 19.1 146 5 C R E +D 219 0B 101 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.948 24.7 176.9-115.8 140.6 9.6 -1.2 17.9 147 6 C T E -D 218 0B 0 71,-2.3 71,-2.6 -2,-0.4 2,-0.5 -0.921 23.9-123.4-135.4 160.8 10.8 2.3 18.7 148 7 C L E -D 217 0B 0 -2,-0.3 115,-1.9 69,-0.2 2,-0.4 -0.915 21.3-173.9-106.5 132.3 14.0 4.3 17.9 149 8 C I E -DE 216 262B 0 67,-2.5 67,-2.2 -2,-0.5 2,-0.4 -0.930 4.6-166.0-112.1 150.4 16.2 5.9 20.4 150 9 C I E -DE 215 261B 0 111,-2.1 111,-2.5 -2,-0.4 2,-0.6 -0.981 16.3-141.4-132.1 124.1 19.2 8.2 19.7 151 10 C V E -DE 214 260B 1 63,-3.1 63,-1.3 -2,-0.4 109,-0.3 -0.750 30.4-136.5 -82.2 118.5 21.8 9.0 22.3 152 11 C K > - 0 0 15 107,-2.2 4,-2.4 -2,-0.6 3,-0.5 -0.250 21.3 -99.0 -81.8 166.9 22.6 12.6 21.7 153 12 C P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.788 118.7 59.0 -61.5 -28.0 26.1 14.2 21.8 154 13 C D H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.940 110.8 40.5 -62.4 -48.4 25.7 15.5 25.3 155 14 C A H 4>S+ 0 0 0 -3,-0.5 5,-2.3 104,-0.2 4,-0.4 0.855 113.6 55.6 -70.9 -32.8 25.2 12.0 26.8 156 15 C M H ><5S+ 0 0 38 -4,-2.4 3,-1.6 1,-0.2 5,-0.2 0.961 109.7 45.6 -59.6 -50.0 27.8 10.6 24.5 157 16 C E H 3<5S+ 0 0 163 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 107.5 57.6 -66.7 -30.3 30.4 13.1 25.8 158 17 C K T 3<5S- 0 0 127 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.523 114.5-118.6 -72.1 -8.8 29.3 12.4 29.4 159 18 C G T < 5S+ 0 0 54 -3,-1.6 3,-0.3 -4,-0.4 4,-0.3 0.745 74.2 131.0 76.8 26.2 30.2 8.8 28.8 160 19 C A >< + 0 0 2 -5,-2.3 4,-2.5 1,-0.2 5,-0.2 0.459 31.2 101.7 -93.4 -0.4 26.7 7.6 29.4 161 20 C L H > S+ 0 0 45 -6,-0.4 4,-2.5 -5,-0.2 5,-0.2 0.882 84.7 43.9 -55.1 -49.7 26.1 5.3 26.4 162 21 C G H > S+ 0 0 50 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.917 113.5 50.1 -64.8 -42.3 26.7 2.0 28.1 163 22 C K H > S+ 0 0 140 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.901 111.6 50.1 -62.9 -37.2 24.6 2.9 31.2 164 23 C I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.950 111.9 45.8 -68.1 -46.6 21.8 4.0 28.9 165 24 C L H X S+ 0 0 23 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.924 110.9 54.6 -61.5 -42.5 21.8 0.9 26.8 166 25 C D H X S+ 0 0 87 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.926 104.5 54.9 -55.9 -43.2 22.0 -1.2 30.0 167 26 C R H X S+ 0 0 48 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.933 109.3 45.4 -59.6 -45.5 18.9 0.5 31.4 168 27 C F H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 -1,-0.2 0.910 112.5 51.3 -68.3 -34.5 16.8 -0.4 28.3 169 28 C I H ><5S+ 0 0 79 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.945 111.5 47.8 -62.1 -47.0 18.1 -4.0 28.3 170 29 C Q H 3<5S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 103.1 61.9 -68.7 -25.2 17.1 -4.3 32.0 171 30 C E T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.469 126.3-100.3 -78.4 -0.2 13.7 -2.8 31.4 172 31 C G T < 5S+ 0 0 51 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.570 73.6 141.0 99.5 11.8 13.1 -5.8 29.1 173 32 C F < - 0 0 4 -5,-2.1 2,-0.5 47,-0.1 -1,-0.3 -0.651 45.5-135.2 -90.3 143.9 13.7 -4.5 25.6 174 33 C Q E -F 219 0B 127 45,-2.7 45,-2.5 -2,-0.3 2,-0.7 -0.823 16.7-135.2 -89.3 128.8 15.4 -6.3 22.8 175 34 C I E +F 218 0B 51 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.794 28.1 174.7 -84.7 114.5 18.0 -4.3 20.9 176 35 C K E + 0 0 49 41,-2.8 107,-2.3 -2,-0.7 2,-0.3 0.566 66.1 10.8 -97.9 -17.2 17.2 -5.1 17.2 177 36 C A E -F 217 0B 5 40,-0.8 40,-2.0 105,-0.2 -1,-0.3 -0.953 62.6-179.8-158.7 151.0 19.6 -2.7 15.6 178 37 C L E +F 216 0B 91 -2,-0.3 2,-0.3 103,-0.3 38,-0.2 -0.943 8.7 162.9-159.8 132.0 22.4 -0.5 16.9 179 38 C K E -F 215 0B 48 36,-2.2 36,-2.4 -2,-0.3 2,-0.5 -0.954 29.2-145.6-157.3 131.5 24.8 1.9 15.2 180 39 C M E +F 214 0B 115 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.843 42.4 146.0 -91.4 134.4 27.2 4.8 15.9 181 40 C F E -F 213 0B 27 32,-2.2 32,-2.7 -2,-0.5 2,-0.5 -0.939 45.3-117.1-155.8 172.6 27.1 7.4 13.0 182 41 C R - 0 0 145 -2,-0.3 2,-0.3 30,-0.2 27,-0.1 -0.971 23.7-140.3-123.0 115.3 27.4 11.1 12.4 183 42 C F - 0 0 1 25,-0.6 28,-0.1 -2,-0.5 -2,-0.0 -0.557 13.7-138.0 -65.0 131.6 24.5 13.0 10.9 184 43 C T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.499 32.5-106.1 -69.9 161.3 25.5 15.6 8.3 185 44 C P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.916 123.2 52.4 -57.7 -38.4 23.5 18.8 8.9 186 45 C E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.926 110.1 46.4 -63.1 -45.1 21.4 17.9 5.8 187 46 C K H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 110.8 51.5 -69.3 -37.0 20.6 14.4 7.1 188 47 C A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.926 109.1 52.7 -62.3 -38.7 19.7 15.6 10.6 189 48 C G H < S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 110.9 46.6 -61.6 -41.5 17.3 18.1 8.9 190 49 C E H >< S+ 0 0 83 -4,-2.1 3,-1.7 1,-0.2 4,-0.2 0.914 109.4 53.7 -69.3 -39.2 15.8 15.2 6.9 191 50 C F H 3< S+ 0 0 3 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.910 115.0 40.9 -59.1 -41.4 15.4 13.1 10.0 192 51 C Y T >< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.132 76.9 128.2 -95.3 22.7 13.6 15.9 11.7 193 52 C Y G X S+ 0 0 126 -3,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.850 73.7 50.6 -44.9 -47.6 11.5 16.8 8.6 194 53 C V G > S+ 0 0 80 -3,-0.3 3,-0.8 1,-0.3 -1,-0.3 0.870 108.6 51.6 -60.1 -39.9 8.3 16.7 10.6 195 54 C H G X S+ 0 0 28 -3,-0.9 3,-0.8 1,-0.2 -1,-0.3 0.366 77.8 104.5 -76.8 5.0 9.7 18.9 13.4 196 55 C R G < S+ 0 0 107 -3,-1.5 -1,-0.2 -4,-0.3 5,-0.1 0.734 86.1 41.2 -69.9 -16.2 10.7 21.5 10.8 197 56 C E G < S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.587 100.3 91.0 -98.7 -16.8 7.8 23.7 11.8 198 57 C R S X S- 0 0 109 -3,-0.8 3,-0.8 -4,-0.2 -3,-0.0 -0.385 92.6 -75.4 -77.1 159.2 8.2 23.0 15.6 199 58 C P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.136 109.7 17.1 -53.6 145.9 10.3 25.2 17.8 200 59 C F T 3> S+ 0 0 142 -3,-0.1 4,-2.5 3,-0.1 5,-0.2 0.722 71.1 148.6 67.0 30.4 14.1 25.0 17.8 201 60 C F H <> S+ 0 0 54 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.941 74.1 42.8 -57.2 -51.8 14.5 23.2 14.5 202 61 C Q H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 114.5 50.9 -66.4 -41.1 17.8 24.8 13.5 203 62 C E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 112.5 47.3 -59.0 -43.8 19.2 24.4 17.0 204 63 C L H X S+ 0 0 36 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.926 112.6 48.3 -64.6 -47.4 18.2 20.7 17.1 205 64 C V H X S+ 0 0 15 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.934 113.5 47.4 -61.3 -43.4 19.7 20.0 13.6 206 65 C E H >< S+ 0 0 127 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.943 115.0 45.5 -63.2 -46.0 23.0 21.8 14.5 207 66 C F H >< S+ 0 0 36 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.932 111.1 51.9 -64.7 -43.3 23.3 19.9 17.8 208 67 C M H 3< S+ 0 0 0 -4,-2.8 -25,-0.6 1,-0.3 -1,-0.2 0.653 115.2 42.5 -74.4 -10.8 22.4 16.5 16.4 209 68 C S T << S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.229 91.0 90.3-109.2 10.2 25.0 16.9 13.7 210 69 C S S < S- 0 0 66 -3,-1.7 -2,-0.1 -4,-0.2 -1,-0.1 0.574 102.3 -11.3 -87.5 -11.9 27.7 18.4 16.1 211 70 C G S S- 0 0 5 -4,-0.3 -28,-0.4 -3,-0.1 -1,-0.1 -0.957 93.7 -57.6-170.7 172.8 29.2 15.0 17.0 212 71 C P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.250 47.9-168.0 -65.0 155.6 28.6 11.3 16.7 213 72 C V E - F 0 181B 0 -32,-2.7 -32,-2.2 -57,-0.1 2,-0.4 -0.842 15.5-131.8-132.6 166.5 25.4 9.7 18.0 214 73 C V E -DF 151 180B 6 -63,-1.3 -63,-3.1 -2,-0.3 2,-0.3 -0.994 18.8-166.0-126.6 125.9 24.2 6.2 18.6 215 74 C A E -DF 150 179B 0 -36,-2.4 -36,-2.2 -2,-0.4 2,-0.3 -0.844 6.3-177.6-106.0 148.6 20.9 4.9 17.5 216 75 C A E -DF 149 178B 0 -67,-2.2 -67,-2.5 -2,-0.3 2,-0.6 -0.996 24.0-136.5-140.9 145.0 19.1 1.7 18.6 217 76 C V E -DF 148 177B 0 -40,-2.0 -41,-2.8 -2,-0.3 -40,-0.8 -0.908 25.6-160.9 -96.1 123.8 15.9 -0.0 17.7 218 77 C L E -DF 147 175B 0 -71,-2.6 -71,-2.3 -2,-0.6 2,-0.4 -0.918 4.8-165.8-108.5 130.0 14.2 -1.2 20.9 219 78 C E E +DF 146 174B 45 -45,-2.5 -45,-2.7 -2,-0.5 2,-0.3 -0.959 30.0 101.6-120.2 133.4 11.5 -3.9 20.7 220 79 C G E > S-D 145 0B 11 -75,-2.4 -75,-2.4 -2,-0.4 3,-1.6 -0.951 71.1 -45.1 174.3 172.0 9.1 -5.0 23.4 221 80 C E E 3 S-D 144 0B 102 -2,-0.3 -77,-0.3 1,-0.3 5,-0.1 -0.333 123.5 -9.6 -54.7 127.3 5.6 -4.8 24.7 222 81 C D T 3> S+ 0 0 50 -79,-2.4 4,-2.6 1,-0.1 -1,-0.3 0.831 87.6 162.6 54.6 35.0 4.2 -1.2 24.6 223 82 C A H <> + 0 0 0 -3,-1.6 4,-2.7 -80,-0.4 5,-0.3 0.839 61.1 57.1 -59.7 -38.6 7.8 -0.1 23.7 224 83 C I H > S+ 0 0 15 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.968 116.8 33.2 -61.7 -50.0 6.9 3.4 22.3 225 84 C K H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 118.5 52.7 -71.5 -41.9 5.2 4.6 25.5 226 85 C R H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 108.5 50.3 -65.8 -40.9 7.4 2.6 27.9 227 86 C V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.921 108.9 52.4 -62.5 -42.3 10.6 4.0 26.4 228 87 C R H X S+ 0 0 122 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.901 109.4 50.0 -58.2 -39.3 9.1 7.5 26.7 229 88 C E H < S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.1 50.5 -64.2 -42.9 8.4 6.9 30.4 230 89 C I H < S+ 0 0 13 -4,-2.3 17,-2.1 1,-0.2 -1,-0.2 0.858 111.0 48.2 -64.8 -37.2 11.9 5.6 31.0 231 90 C I H < S- 0 0 6 -4,-2.1 17,-2.6 15,-0.2 18,-0.3 0.852 100.4-155.4 -77.2 -30.7 13.5 8.7 29.4 232 91 C G < - 0 0 11 -4,-1.8 -1,-0.1 -5,-0.2 -2,-0.1 -0.162 36.4 -11.6 87.3 179.4 11.4 11.2 31.3 233 92 C P - 0 0 44 0, 0.0 6,-0.2 0, 0.0 7,-0.1 -0.138 62.2-118.3 -54.1 148.3 10.3 14.8 30.6 234 93 C T S S+ 0 0 73 1,-0.1 2,-0.8 4,-0.1 20,-0.1 0.836 103.6 72.6 -57.7 -39.2 11.9 16.7 27.8 235 94 C D S > S- 0 0 48 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.735 74.9-156.1 -81.0 110.0 13.2 19.3 30.3 236 95 C S H > S+ 0 0 0 18,-1.4 4,-1.8 -2,-0.8 -1,-0.2 0.804 93.3 55.6 -57.8 -33.1 16.0 17.4 32.2 237 96 C E H > S+ 0 0 110 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.908 109.0 46.0 -67.4 -41.9 15.5 19.7 35.2 238 97 C E H > S+ 0 0 84 -3,-0.4 4,-2.2 1,-0.2 3,-0.5 0.890 108.0 58.6 -65.3 -37.5 11.8 18.8 35.4 239 98 C A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 7,-0.3 0.901 102.5 53.3 -59.1 -41.4 12.9 15.1 35.0 240 99 C R H < S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.5 48.0 -63.5 -28.7 15.0 15.4 38.1 241 100 C K H < S+ 0 0 142 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.900 127.8 20.5 -78.8 -39.0 12.0 16.8 40.1 242 101 C V H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.613 135.3 24.5-109.0 -16.7 9.5 14.1 39.0 243 102 C A >< + 0 0 28 -4,-2.8 3,-2.5 -5,-0.3 6,-0.4 -0.504 62.2 177.8-149.8 73.1 11.4 11.1 37.8 244 103 C P T 3 S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.693 81.5 47.3 -60.3 -26.5 14.9 11.0 39.4 245 104 C N T 3 S+ 0 0 97 4,-0.1 -5,-0.1 -6,-0.1 2,-0.1 0.265 85.6 117.5 -98.6 13.1 16.0 7.7 37.8 246 105 C S S <> S- 0 0 5 -3,-2.5 4,-2.6 -7,-0.3 -15,-0.2 -0.360 79.0-111.9 -73.4 160.2 14.8 8.6 34.3 247 106 C I H > S+ 0 0 2 -17,-2.1 4,-2.7 1,-0.2 5,-0.5 0.922 118.2 47.6 -60.0 -42.5 17.4 8.8 31.6 248 107 C R H > S+ 0 0 24 -17,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.885 111.5 49.8 -70.3 -35.9 17.0 12.6 31.3 249 108 C A H 4 S+ 0 0 6 -6,-0.4 -1,-0.2 -18,-0.3 -2,-0.2 0.914 117.5 41.6 -61.2 -43.1 17.2 13.2 35.0 250 109 C Q H < S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.870 136.5 9.6 -73.9 -39.3 20.3 11.1 35.2 251 110 C F H < S+ 0 0 35 -4,-2.7 8,-0.2 -5,-0.2 -3,-0.2 0.484 101.2 99.3-125.5 -9.2 22.2 12.3 32.1 252 111 C G < - 0 0 5 -4,-1.8 6,-0.2 -5,-0.5 3,-0.1 -0.519 45.0-166.0 -85.6 153.9 20.4 15.3 30.7 253 112 C T - 0 0 63 4,-2.9 5,-0.2 -2,-0.2 2,-0.2 0.859 63.0 -34.2 -99.9 -53.7 21.4 18.9 31.3 254 113 C D S S- 0 0 72 3,-1.9 -18,-1.4 -18,-0.1 -1,-0.2 -0.508 84.1 -59.2-148.4-149.9 18.4 21.0 30.3 255 114 C K S S+ 0 0 134 -20,-0.2 3,-0.2 -2,-0.2 -3,-0.0 0.697 131.9 33.5 -85.2 -16.9 15.6 21.1 27.6 256 115 C G S S+ 0 0 44 1,-0.3 2,-1.7 3,-0.0 -1,-0.1 0.854 118.4 47.7-100.0 -55.6 18.0 21.0 24.7 257 116 C K S S+ 0 0 107 1,-0.2 -4,-2.9 -103,-0.1 -3,-1.9 -0.690 74.6 144.8 -80.8 81.4 20.9 19.0 25.9 258 117 C N - 0 0 3 -2,-1.7 2,-2.1 -6,-0.2 -6,-0.2 -0.070 57.9-122.9-122.2 34.1 18.6 16.3 27.2 259 118 C A S S+ 0 0 0 -8,-0.2 -107,-2.2 -108,-0.1 2,-0.3 -0.092 75.8 36.2 73.3 -41.0 20.6 13.2 26.5 260 119 C I E -E 151 0B 0 -2,-2.1 2,-0.4 -109,-0.3 -109,-0.2 -0.998 54.2-147.3-157.0 144.3 18.3 11.2 24.3 261 120 C H E -E 150 0B 15 -111,-2.5 -111,-2.1 -2,-0.3 2,-0.3 -0.931 19.4-178.8-105.8 143.6 15.7 11.1 21.6 262 121 C A E -E 149 0B 11 -2,-0.4 -113,-0.2 -113,-0.2 -2,-0.0 -0.999 37.8 -96.7-139.7 145.9 12.8 8.6 21.4 263 122 C S - 0 0 0 -115,-1.9 -35,-0.1 -2,-0.3 -36,-0.1 -0.275 28.9-151.4 -57.0 143.0 10.1 8.2 18.8 264 123 C D + 0 0 62 1,-0.1 -1,-0.1 -36,-0.0 3,-0.1 0.434 67.9 3.6-102.1 2.0 6.9 9.9 20.0 265 124 C S S > S- 0 0 27 1,-0.1 4,-2.6 -41,-0.0 5,-0.2 -0.976 79.9 -92.7-172.6 165.0 4.3 7.8 18.2 266 125 C P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 124.4 50.2 -58.8 -40.1 3.8 4.7 16.0 267 126 C E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.925 112.6 45.6 -66.9 -43.1 3.9 6.9 12.9 268 127 C S H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.898 110.4 54.4 -65.6 -41.2 7.1 8.6 14.0 269 128 C A H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.918 106.9 51.0 -60.5 -43.0 8.7 5.3 14.9 270 129 C Q H X S+ 0 0 116 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.945 116.0 41.0 -60.8 -46.1 8.1 3.9 11.5 271 130 C Y H X S+ 0 0 90 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.919 117.4 47.2 -64.7 -47.0 9.7 6.9 9.8 272 131 C E H X S+ 0 0 5 -4,-3.1 4,-1.5 2,-0.2 5,-0.2 0.901 109.5 51.1 -69.9 -41.5 12.6 7.2 12.2 273 132 C I H >X S+ 0 0 17 -4,-2.6 4,-3.1 -5,-0.3 3,-0.5 0.949 113.2 46.7 -60.2 -47.1 13.6 3.6 12.3 274 133 C a H 3< S+ 0 0 34 -4,-1.7 -137,-1.6 -5,-0.3 -1,-0.2 0.793 106.1 60.3 -66.5 -28.7 13.7 3.5 8.4 275 134 C F H 3< S+ 0 0 14 -4,-1.7 -137,-1.5 -139,-0.2 -1,-0.2 0.880 120.1 24.6 -64.8 -37.1 15.6 6.7 8.3 276 135 C I H << S+ 0 0 0 -4,-1.5 2,-0.4 -3,-0.5 -2,-0.2 0.814 126.2 35.0 -97.0 -35.5 18.5 5.2 10.3 277 136 C F < - 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -142,-0.1 -0.979 63.6-144.8-129.8 129.4 18.3 1.4 9.7 278 137 C S > - 0 0 0 -2,-0.4 3,-1.4 -144,-0.2 4,-0.4 -0.408 38.1-104.7 -76.6 164.9 17.3 -0.7 6.7 279 138 C G G > S+ 0 0 13 -147,-1.9 3,-1.1 1,-0.3 -145,-0.2 0.826 122.7 63.3 -55.2 -31.3 15.5 -4.0 7.2 280 139 C L G 3 S+ 0 0 37 -147,-1.6 -1,-0.3 1,-0.2 -146,-0.1 0.771 100.3 53.5 -66.3 -25.0 18.8 -5.7 6.4 281 140 C E G < S+ 0 0 57 -3,-1.4 2,-0.8 -148,-0.2 -103,-0.3 0.487 85.0 93.7 -86.7 -5.4 20.2 -4.0 9.5 282 141 C I < 0 0 18 -3,-1.1 -105,-0.2 -4,-0.4 -106,-0.1 -0.816 360.0 360.0 -99.8 113.7 17.6 -5.3 11.9 283 142 C V 0 0 143 -107,-2.3 -2,-0.1 -2,-0.8 -3,-0.0 -0.671 360.0 360.0-131.7 360.0 18.9 -8.6 13.5