==== 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 ISOMERASE 03-JUN-03 1PJH . COMPND 2 MOLECULE: ENOYL-COA ISOMERASE; ECI1P; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.M.MURSULA,J.K.HILTUNEN,R.K.WIERENGA . 776 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 48 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.1 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 4 3 5 0 3 9 0 0 3 3 0 1 5 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 1 6 3 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 . 4 3 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 I 0 0 80 0, 0.0 39,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 -20.6 46.5 153.8 2 6 A R - 0 0 114 1,-0.1 2,-0.2 34,-0.0 0, 0.0 -0.218 360.0-105.0 -63.5 158.6 -18.1 49.0 152.3 3 7 A Q - 0 0 146 5,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.613 28.2-161.0 -83.3 147.0 -17.7 49.3 148.6 4 8 A N B > -A 7 0A 12 3,-0.5 3,-0.7 -2,-0.2 29,-0.0 -0.996 12.8-149.8-129.9 127.7 -14.7 47.8 146.8 5 9 A E T 3 S+ 0 0 183 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.690 98.1 46.4 -71.5 -19.5 -13.8 49.1 143.3 6 10 A K T 3 S+ 0 0 49 1,-0.2 15,-2.2 14,-0.1 2,-0.4 0.525 116.1 41.5 -98.5 -13.2 -12.4 45.7 142.2 7 11 A I E < -AB 4 20A 1 -3,-0.7 -3,-0.5 13,-0.2 -1,-0.2 -0.947 64.2-179.0-143.8 116.3 -15.2 43.5 143.5 8 12 A S E - B 0 19A 35 11,-2.5 11,-2.8 -2,-0.4 2,-0.3 -0.634 4.7-166.1-105.0 169.1 -19.0 44.1 143.3 9 13 A Y E + B 0 18A 73 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.992 10.0 168.2-150.5 158.7 -22.0 42.1 144.5 10 14 A R E - B 0 17A 89 7,-1.6 7,-3.0 -2,-0.3 2,-0.5 -0.967 28.7-121.6-159.6 163.6 -25.7 42.0 144.0 11 15 A I E - B 0 16A 76 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.975 20.2-179.8-118.0 124.9 -28.6 39.7 144.8 12 16 A E E > - B 0 15A 65 3,-2.5 3,-2.2 -2,-0.5 -2,-0.0 -0.933 65.1 -63.0-119.7 101.2 -30.9 38.3 142.1 13 17 A G T 3 S- 0 0 56 -2,-0.5 36,-0.0 1,-0.3 195,-0.0 -0.383 122.8 -7.6 60.8-124.8 -33.6 36.1 143.7 14 18 A P T 3 S+ 0 0 27 0, 0.0 37,-2.7 0, 0.0 38,-2.2 0.359 119.9 95.9 -80.7 6.4 -31.9 33.2 145.5 15 19 A F E < -Bc 12 52A 4 -3,-2.2 -3,-2.5 35,-0.2 2,-0.6 -0.864 54.1-165.4-109.9 127.6 -28.5 34.2 143.9 16 20 A F E -Bc 11 53A 1 36,-2.9 38,-2.9 -2,-0.5 2,-0.6 -0.955 22.0-159.4-107.4 113.1 -25.8 36.3 145.6 17 21 A I E -Bc 10 54A 0 -7,-3.0 -7,-1.6 -2,-0.6 2,-0.4 -0.867 11.7-167.6-109.1 118.8 -23.5 37.2 142.8 18 22 A I E -Bc 9 55A 0 36,-3.3 38,-3.5 -2,-0.6 2,-0.5 -0.870 10.5-166.6-100.6 135.8 -19.9 38.3 143.4 19 23 A H E -Bc 8 56A 39 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.6 -0.958 17.6-147.9-133.4 116.2 -18.2 39.9 140.5 20 24 A L E -B 7 0A 2 36,-2.8 -13,-0.2 -2,-0.5 -14,-0.1 -0.734 22.2-179.3 -80.6 120.8 -14.5 40.6 140.1 21 25 A I + 0 0 65 -15,-2.2 -14,-0.2 -2,-0.6 3,-0.1 -0.219 48.0 94.7-125.0 42.9 -14.4 43.7 138.0 22 26 A N > > + 0 0 39 -16,-0.3 5,-2.6 1,-0.1 3,-1.2 -0.520 34.7 154.3-128.6 63.1 -10.8 44.6 137.4 23 27 A P G > 5 + 0 0 52 0, 0.0 3,-1.7 0, 0.0 37,-0.2 0.786 65.8 68.9 -65.1 -28.5 -10.0 42.9 134.0 24 28 A D G 3 5S+ 0 0 159 1,-0.3 -2,-0.0 -3,-0.1 35,-0.0 0.740 109.1 36.6 -59.9 -29.2 -7.2 45.4 133.2 25 29 A N G X 5S- 0 0 67 -3,-1.2 3,-1.6 3,-0.1 -1,-0.3 0.052 119.0-108.6-109.5 23.3 -5.1 43.8 136.0 26 30 A L T < 5 - 0 0 70 -3,-1.7 38,-2.1 1,-0.3 39,-0.2 0.784 66.1 -72.9 52.4 31.9 -6.4 40.3 135.4 27 31 A N T 3 > - 0 0 74 -2,-0.4 4,-1.6 36,-0.2 3,-1.0 -0.449 42.0 -92.2 -84.7 168.8 -4.5 42.4 147.3 31 35 A G H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.888 127.3 50.8 -46.0 -48.2 -4.7 41.1 150.8 32 36 A E H 3> S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.757 104.9 57.7 -70.1 -25.1 -7.7 43.4 151.6 33 37 A D H <> S+ 0 0 6 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.871 106.0 49.1 -69.1 -38.6 -9.5 42.2 148.5 34 38 A Y H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.902 111.2 49.9 -64.1 -42.7 -9.4 38.6 149.8 35 39 A I H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.938 109.1 52.4 -59.5 -44.3 -10.7 39.8 153.1 36 40 A Y H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 107.4 51.8 -58.9 -40.0 -13.4 41.6 151.3 37 41 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.936 109.1 50.5 -61.7 -47.6 -14.3 38.4 149.5 38 42 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 109.6 51.4 -52.8 -43.6 -14.5 36.6 152.8 39 43 A E H X S+ 0 0 77 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.841 108.7 50.4 -66.2 -37.6 -16.8 39.4 154.1 40 44 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.904 109.7 50.1 -66.1 -44.1 -19.1 39.0 151.0 41 45 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.935 110.7 50.5 -58.7 -43.2 -19.3 35.3 151.5 42 46 A E H X S+ 0 0 32 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.878 111.5 47.6 -67.1 -33.6 -20.2 35.9 155.2 43 47 A L H >X S+ 0 0 70 -4,-1.8 4,-0.7 2,-0.2 3,-0.6 0.923 112.0 49.0 -69.5 -46.4 -22.9 38.4 154.2 44 48 A A H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.2 6,-0.2 0.895 108.3 56.0 -54.6 -41.9 -24.3 36.0 151.6 45 49 A D H 3< S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.755 106.6 48.7 -66.7 -26.9 -24.3 33.3 154.3 46 50 A R H << S+ 0 0 197 -4,-1.0 2,-0.8 -3,-0.6 -1,-0.2 0.517 88.3 96.8 -91.5 -9.1 -26.4 35.4 156.7 47 51 A N X< - 0 0 45 -3,-0.8 3,-1.6 -4,-0.7 -31,-0.0 -0.751 59.8-161.7 -85.5 111.4 -29.0 36.2 154.0 48 52 A R T 3 S+ 0 0 213 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.0 0.639 89.2 59.5 -70.4 -16.6 -31.9 33.8 154.4 49 53 A D T 3 S+ 0 0 119 -36,-0.0 2,-0.5 -5,-0.0 -1,-0.3 0.556 89.9 89.6 -83.0 -11.8 -33.1 34.6 150.8 50 54 A V < + 0 0 0 -3,-1.6 -35,-0.2 -6,-0.2 3,-0.1 -0.777 36.4 158.2 -92.4 129.8 -29.8 33.4 149.4 51 55 A Y + 0 0 53 -37,-2.7 53,-2.4 -2,-0.5 2,-0.4 0.551 68.6 40.9-116.0 -22.3 -29.3 29.8 148.4 52 56 A F E -cd 15 104A 0 -38,-2.2 -36,-2.9 51,-0.2 2,-0.6 -0.991 60.0-157.7-134.3 136.5 -26.5 30.1 145.9 53 57 A T E -cd 16 105A 0 51,-3.1 53,-2.8 -2,-0.4 2,-0.5 -0.974 18.3-164.4-114.1 115.0 -23.3 32.3 146.0 54 58 A I E -cd 17 106A 0 -38,-2.9 -36,-3.3 -2,-0.6 2,-0.6 -0.910 5.7-157.8-109.0 121.8 -22.1 32.8 142.4 55 59 A I E +cd 18 107A 6 51,-3.1 53,-2.8 -2,-0.5 2,-0.3 -0.890 20.6 170.8-103.9 118.7 -18.5 34.1 141.9 56 60 A Q E -c 19 0A 2 -38,-3.5 -36,-2.8 -2,-0.6 2,-0.2 -0.812 9.1-171.3-123.0 162.7 -18.0 35.7 138.5 57 61 A S - 0 0 0 51,-0.4 2,-0.3 -2,-0.3 5,-0.1 -0.606 15.4-113.0-141.1-163.4 -15.2 37.6 137.0 58 62 A S B > +H 61 0C 13 3,-0.5 3,-0.6 4,-0.3 -36,-0.1 -0.958 59.4 4.0-146.5 151.4 -14.2 39.7 134.0 59 63 A G T 3 S- 0 0 29 -2,-0.3 136,-0.1 1,-0.2 -2,-0.1 -0.312 107.6 -36.5 73.4-151.4 -12.0 39.7 131.0 60 64 A R T 3 S+ 0 0 145 -37,-0.2 2,-0.4 134,-0.1 -1,-0.2 0.542 122.6 55.4 -91.2 -12.9 -9.6 36.9 129.9 61 65 A F B < -H 58 0C 42 -3,-0.6 -3,-0.5 50,-0.3 52,-0.2 -0.948 61.1-152.0-119.4 143.7 -8.6 35.8 133.4 62 66 A F S S- 0 0 9 50,-2.0 -4,-0.3 -2,-0.4 2,-0.2 0.959 87.2 -35.8 -67.4 -57.0 -10.7 34.7 136.4 63 67 A S B -i 113 0D 0 49,-1.6 51,-1.9 -3,-0.1 -1,-0.2 -0.813 41.2-145.0-167.3 131.9 -7.8 36.0 138.6 64 68 A S - 0 0 33 -38,-2.1 2,-0.2 1,-0.3 -36,-0.2 0.368 57.9-120.0 -76.3 4.5 -4.0 36.0 138.3 65 69 A G + 0 0 0 -38,-0.3 -36,-2.1 -39,-0.2 -1,-0.3 -0.585 67.1 11.2 96.3-154.3 -3.9 35.5 142.0 66 70 A A B S-g 29 0B 23 -38,-0.2 2,-0.5 -2,-0.2 -36,-0.2 -0.370 79.7-111.2 -66.6 136.3 -2.3 37.7 144.7 67 71 A D > - 0 0 14 -38,-2.4 4,-1.1 1,-0.2 3,-0.2 -0.597 22.0-156.3 -72.5 116.8 -1.2 41.1 143.6 68 72 A F H > S+ 0 0 128 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.819 92.0 57.9 -64.0 -36.9 2.6 41.2 143.7 69 73 A K H > S+ 0 0 145 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.862 105.2 51.5 -60.7 -39.4 2.7 45.0 144.1 70 74 A G H 4 S+ 0 0 23 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.821 107.3 52.9 -66.4 -33.0 0.6 44.7 147.2 71 75 A I H < S+ 0 0 15 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 102.4 57.4 -69.2 -43.9 3.1 42.1 148.6 72 76 A A H < 0 0 89 -4,-2.0 -1,-0.2 186,-0.1 -2,-0.2 0.818 360.0 360.0 -56.1 -34.1 6.1 44.5 148.0 73 77 A K < 0 0 199 -4,-1.1 -2,-0.2 -5,-0.1 -3,-0.2 0.762 360.0 360.0 -93.8 360.0 4.2 47.0 150.3 74 ! 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 75 85 A K 0 0 223 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.6 5.5 49.4 161.9 76 86 A Y - 0 0 67 1,-0.1 6,-0.0 9,-0.0 4,-0.0 -0.993 360.0-146.5-120.7 132.4 6.1 45.7 162.6 77 87 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 82.2 14.0 -71.9 -16.4 8.7 44.7 165.3 78 88 A S S > S- 0 0 60 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.980 73.3-114.0-150.1 163.0 9.7 41.5 163.4 79 89 A E H > S+ 0 0 79 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.892 119.7 54.7 -58.5 -42.6 9.4 39.9 160.0 80 90 A T H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 108.0 47.3 -57.2 -46.9 7.3 37.2 161.7 81 91 A S H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 111.0 53.1 -64.3 -41.5 4.9 39.8 163.0 82 92 A K H X S+ 0 0 61 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.903 113.9 40.6 -55.6 -47.8 4.8 41.4 159.6 83 93 A W H X>S+ 0 0 8 -4,-2.4 5,-2.6 2,-0.2 4,-1.8 0.747 108.5 58.9 -82.2 -23.2 3.8 38.2 157.8 84 94 A V H <>S+ 0 0 61 -4,-2.2 5,-2.1 -5,-0.2 -1,-0.2 0.913 116.1 38.5 -63.7 -39.7 1.5 37.0 160.5 85 95 A S H <5S+ 0 0 57 -4,-1.9 5,-0.3 -5,-0.2 -2,-0.2 0.892 124.9 34.8 -76.9 -45.2 -0.4 40.3 159.8 86 96 A N H <5S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.819 135.8 11.8 -86.2 -32.4 -0.1 40.5 156.0 87 97 A F T X5S+ 0 0 3 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.797 124.9 47.0-111.2 -53.7 -0.2 36.9 155.0 88 98 A V H > S+ 0 0 14 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.847 115.7 48.4 -73.3 -37.3 -5.8 37.2 155.5 91 101 A N H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.929 112.3 48.8 -67.5 -44.7 -5.3 33.6 154.1 92 102 A V H X S+ 0 0 49 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.891 114.9 46.5 -65.5 -33.8 -6.7 32.0 157.2 93 103 A Y H X S+ 0 0 61 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.952 114.9 42.0 -74.1 -52.9 -9.7 34.2 157.1 94 104 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.909 115.6 50.7 -63.8 -39.8 -10.7 34.0 153.4 95 105 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.929 110.2 50.0 -64.6 -43.7 -10.0 30.3 153.3 96 106 A D H X S+ 0 0 43 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.909 105.6 57.2 -59.6 -41.6 -12.2 29.8 156.4 97 107 A A H X S+ 0 0 1 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.908 112.5 40.8 -58.0 -43.4 -15.0 31.9 154.8 98 108 A F H >< S+ 0 0 3 -4,-1.8 3,-0.6 2,-0.2 -1,-0.2 0.927 113.0 54.2 -68.5 -45.8 -15.1 29.5 151.8 99 109 A I H 3< S+ 0 0 9 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.8 35.3 -58.3 -43.8 -14.7 26.3 153.8 100 110 A K H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.522 81.9 130.8 -90.2 -10.0 -17.7 27.0 156.1 101 111 A H << - 0 0 1 -4,-0.8 4,-0.1 -3,-0.6 -59,-0.1 -0.224 41.2-161.9 -55.5 130.1 -20.0 28.7 153.6 102 112 A S + 0 0 47 2,-0.1 2,-0.2 125,-0.0 -1,-0.2 0.619 63.4 84.4 -92.5 -15.8 -23.5 27.1 153.8 103 113 A K S S- 0 0 9 -62,-0.1 2,-0.4 1,-0.1 -51,-0.2 -0.517 96.8 -91.3 -86.4 154.5 -24.8 28.4 150.5 104 114 A V E -d 52 0A 0 -53,-2.4 -51,-3.1 -2,-0.2 2,-0.6 -0.547 44.2-146.6 -68.1 122.9 -24.1 26.5 147.2 105 115 A L E -d 53 0A 0 -2,-0.4 20,-1.8 -53,-0.2 21,-1.6 -0.834 17.9-175.3-102.2 117.1 -20.9 28.1 145.9 106 116 A I E -de 54 126A 0 -53,-2.8 -51,-3.1 -2,-0.6 2,-0.5 -0.958 10.1-155.8-118.7 125.7 -20.7 28.3 142.1 107 117 A C E -de 55 127A 0 19,-2.9 21,-2.7 -2,-0.5 2,-0.8 -0.888 4.3-157.0-100.1 128.0 -17.6 29.5 140.2 108 118 A C E - e 0 128A 0 -53,-2.8 2,-1.2 -2,-0.5 -51,-0.4 -0.881 15.9-156.5-101.1 100.2 -18.0 30.9 136.7 109 119 A L E + e 0 129A 0 19,-3.1 21,-2.2 -2,-0.8 22,-0.4 -0.675 22.0 170.7 -89.5 94.1 -14.5 30.4 135.4 110 120 A N - 0 0 0 -2,-1.2 -1,-0.2 19,-0.2 19,-0.1 0.312 68.7 -28.0 -82.4 4.3 -14.1 32.9 132.6 111 121 A G S S- 0 0 3 -50,-0.1 -50,-0.3 24,-0.1 23,-0.1 -0.972 99.3 -22.3 166.0-173.6 -10.4 32.2 132.2 112 122 A P - 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K 0 175D 69 40,-0.2 -22,-1.8 41,-0.1 2,-0.4 -0.972 31.1-132.0-150.5 164.3 -6.7 26.3 133.6 136 146 A L E -jK 113 174D 0 38,-2.1 38,-3.4 -2,-0.3 2,-0.4 -0.984 21.7-169.5-114.8 133.9 -5.7 26.4 137.2 137 147 A L E -j 114 0D 32 -24,-2.3 -22,-2.2 -2,-0.4 -19,-0.2 -0.989 13.8-172.7-125.2 130.5 -2.1 27.1 138.2 138 148 A Y + 0 0 1 -2,-0.4 3,-0.5 34,-0.4 2,-0.4 -0.848 10.6 179.9-117.2 88.4 -0.8 26.7 141.7 139 149 A P >> + 0 0 14 0, 0.0 4,-1.2 0, 0.0 3,-0.6 0.009 34.4 128.4 -85.5 31.5 2.8 28.1 141.2 140 150 A F H 3>> + 0 0 2 -2,-0.4 5,-2.7 1,-0.3 4,-1.0 0.846 69.4 54.3 -60.3 -38.5 3.9 27.6 144.8 141 151 A A H 345S+ 0 0 0 27,-0.5 595,-2.7 -3,-0.5 -1,-0.3 0.865 111.6 45.0 -64.9 -36.1 7.1 25.7 143.9 142 152 A N H <45S+ 0 0 64 -3,-0.6 -1,-0.2 593,-0.2 -2,-0.2 0.656 115.3 48.4 -80.6 -16.4 8.3 28.5 141.6 143 153 A L H <5S- 0 0 39 -4,-1.2 114,-0.3 -3,-0.3 -2,-0.2 0.517 113.4-113.6 -96.9 -8.0 7.3 31.2 144.1 144 154 A G T <5S+ 0 0 0 -4,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.835 80.6 108.7 76.5 35.9 9.1 29.6 147.1 145 155 A L < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.551 57.8-130.6-126.8-172.6 5.8 28.9 148.9 146 156 A I - 0 0 2 -2,-0.2 594,-0.1 1,-0.2 597,-0.1 -0.616 52.4 -38.7-131.0-169.1 3.6 25.9 149.8 147 157 A T - 0 0 1 -2,-0.2 2,-0.3 592,-0.2 -1,-0.2 -0.265 59.6-173.8 -61.2 142.6 -0.1 25.0 149.5 148 158 A E > + 0 0 14 1,-0.1 3,-1.8 -33,-0.1 90,-0.1 -0.908 53.6 23.2-131.1 159.2 -2.6 27.8 150.2 149 159 A G T 3 S- 0 0 1 -2,-0.3 -1,-0.1 1,-0.3 89,-0.1 0.791 127.6 -57.1 58.8 31.4 -6.3 28.1 150.6 150 160 A G T >> S+ 0 0 0 87,-0.1 4,-3.1 -3,-0.1 3,-1.3 0.566 96.0 134.8 77.9 10.2 -7.0 24.5 151.4 151 161 A T H <> + 0 0 0 -3,-1.8 4,-1.9 1,-0.3 -2,-0.1 0.748 61.4 73.8 -61.0 -25.4 -5.4 23.1 148.3 152 162 A T H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 598,-0.1 0.883 116.4 20.1 -50.8 -42.7 -3.6 20.6 150.5 153 163 A V H <> S+ 0 0 10 -3,-1.3 4,-1.9 2,-0.1 -2,-0.2 0.833 124.1 55.0 -92.8 -44.1 -7.0 18.9 150.8 154 164 A S H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.850 103.6 52.4 -69.2 -36.4 -8.9 20.2 147.7 155 165 A L H X>S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.6 0.966 113.2 41.0 -71.2 -50.1 -6.4 19.3 145.0 156 166 A P H >5S+ 0 0 14 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.915 117.2 53.0 -58.5 -40.2 -6.0 15.6 145.9 157 167 A L H <5S+ 0 0 53 -4,-1.9 266,-0.3 1,-0.2 -2,-0.2 0.878 122.4 26.3 -58.8 -43.6 -9.8 15.5 146.5 158 168 A K H <5S+ 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.644 136.4 25.4-103.3 -16.5 -10.8 16.9 143.2 159 169 A F H <5S- 0 0 0 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.479 108.8-104.5-124.1 -8.5 -7.9 16.0 140.9 160 170 A G X< - 0 0 21 -4,-1.5 4,-1.7 -5,-0.6 -3,-0.1 0.077 30.0 -91.5 92.8 150.9 -6.4 12.8 142.5 161 171 A T H > S+ 0 0 22 517,-0.2 4,-2.1 2,-0.2 5,-0.2 0.939 120.5 46.1 -61.8 -53.4 -3.2 12.5 144.5 162 172 A N H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 113.8 48.4 -63.7 -44.8 -0.8 11.6 141.7 163 173 A T H > S+ 0 0 9 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.893 109.9 54.4 -58.4 -39.7 -2.0 14.3 139.4 164 174 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.911 108.0 48.6 -64.5 -41.8 -1.7 16.8 142.3 165 175 A Y H X S+ 0 0 9 -4,-2.1 4,-2.5 481,-0.3 5,-0.4 0.942 110.1 50.7 -63.9 -48.0 1.9 15.9 142.9 166 176 A E H X S+ 0 0 6 -4,-2.3 4,-1.3 480,-0.3 6,-0.2 0.934 117.4 40.6 -53.6 -47.6 2.9 16.2 139.3 167 177 A C H <>S+ 0 0 8 -4,-2.3 5,-2.4 -5,-0.2 4,-0.4 0.901 121.6 38.8 -71.0 -46.0 1.3 19.7 139.1 168 178 A L H ><5S+ 0 0 0 -4,-2.9 3,-0.7 -5,-0.2 -27,-0.5 0.926 116.1 49.4 -73.5 -46.3 2.3 21.1 142.4 169 179 A M H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.831 123.8 30.8 -62.6 -33.4 5.9 19.6 142.5 170 180 A F T 3<5S- 0 0 10 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.210 107.5-114.1-115.1 13.7 6.7 20.9 139.0 171 181 A N T < 5 + 0 0 39 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.920 61.6 154.2 56.4 50.1 4.6 24.0 138.8 172 182 A K < - 0 0 73 -5,-2.4 -34,-0.4 -6,-0.2 -1,-0.2 -0.868 42.3-110.2-111.9 143.5 2.4 22.7 136.0 173 183 A P - 0 0 43 0, 0.0 2,-1.1 0, 0.0 -36,-0.2 -0.304 15.8-124.5 -70.0 150.3 -1.2 23.8 135.3 174 184 A F E -K 136 0D 0 -38,-3.4 -38,-2.1 4,-0.0 -10,-0.0 -0.862 46.8-157.3 -84.5 94.1 -4.3 21.8 135.9 175 185 A K E > -K 135 0D 131 -2,-1.1 4,-2.3 -40,-0.2 3,-0.2 -0.185 28.2 -96.1 -75.5 169.5 -5.4 22.1 132.3 176 186 A Y H > S+ 0 0 43 -42,-0.6 4,-2.8 -44,-0.3 5,-0.2 0.862 123.8 53.2 -54.3 -41.4 -9.0 21.9 130.9 177 187 A D H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.9 47.4 -65.8 -41.7 -8.5 18.2 130.0 178 188 A I H > S+ 0 0 39 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.886 111.8 52.3 -62.8 -38.6 -7.3 17.3 133.5 179 189 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.5 0.942 112.6 44.2 -62.8 -45.8 -10.3 19.3 134.8 180 190 A C H ><5S+ 0 0 41 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.859 108.1 57.2 -66.9 -38.8 -12.7 17.3 132.6 181 191 A E H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 113.3 42.1 -64.7 -24.8 -11.1 13.9 133.4 182 192 A N T <<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.344 111.8-117.6-103.1 6.6 -11.8 14.6 137.0 183 193 A G T < 5 + 0 0 4 -3,-1.2 242,-0.2 -4,-0.2 -3,-0.2 0.824 70.0 138.6 61.6 30.3 -15.3 16.0 136.6 184 194 A F < + 0 0 2 -5,-2.7 2,-0.6 -6,-0.2 -57,-0.5 0.866 60.3 59.0 -73.2 -35.0 -14.2 19.3 138.1 185 195 A I - 0 0 19 -6,-0.4 -57,-0.2 -9,-0.2 3,-0.2 -0.855 63.7-168.1-100.0 121.9 -16.2 21.3 135.5 186 196 A S S S+ 0 0 32 -59,-2.6 2,-0.3 -2,-0.6 -58,-0.2 0.798 76.4 4.4 -79.1 -31.9 -19.9 20.7 135.5 187 197 A K E -f 128 0A 76 -60,-0.8 -58,-2.2 0, 0.0 2,-0.5 -0.943 57.5-151.9-154.2 135.7 -20.5 22.4 132.2 188 198 A N E -f 129 0A 40 -2,-0.3 -58,-0.2 -60,-0.2 -56,-0.1 -0.951 8.6-162.1-101.0 123.9 -18.3 24.1 129.6 189 199 A F - 0 0 28 -60,-3.1 -59,-0.2 -2,-0.5 -58,-0.2 0.595 20.5-143.5 -83.8 -11.9 -20.3 26.8 127.8 190 200 A N + 0 0 124 -61,-0.3 -59,-0.2 1,-0.2 -60,-0.1 0.893 45.9 147.3 46.1 53.3 -17.9 27.0 124.8 191 201 A M - 0 0 29 -61,-3.2 -1,-0.2 -62,-0.1 -2,-0.1 -0.787 56.0 -86.1-112.2 157.5 -18.2 30.7 124.4 192 202 A P > - 0 0 84 0, 0.0 3,-1.3 0, 0.0 7,-0.2 -0.371 27.7-135.3 -60.5 140.9 -15.5 33.3 123.2 193 203 A S T 3 S+ 0 0 13 1,-0.3 3,-0.4 2,-0.1 -62,-0.1 0.375 97.4 79.5 -80.5 5.8 -13.2 34.6 125.9 194 204 A S T 3 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.486 96.6 45.0 -83.8 -4.1 -13.7 38.1 124.5 195 205 A N <> + 0 0 73 -3,-1.3 4,-2.0 1,-0.1 3,-0.3 -0.462 54.2 156.1-144.0 65.9 -17.1 38.2 126.3 196 206 A A H > S+ 0 0 6 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.846 80.0 62.3 -52.4 -34.9 -16.9 37.0 129.9 197 207 A E H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 102.7 46.1 -63.2 -44.4 -20.0 39.2 130.5 198 208 A A H > S+ 0 0 32 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.915 113.8 50.3 -63.9 -42.8 -22.1 37.2 128.0 199 209 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.949 110.0 50.8 -55.4 -50.1 -20.8 33.9 129.6 200 210 A N H X S+ 0 0 6 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.883 111.8 46.7 -58.8 -44.3 -21.7 35.3 133.0 201 211 A A H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.873 109.9 52.8 -64.6 -42.2 -25.2 36.2 132.0 202 212 A K H X S+ 0 0 115 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.869 107.2 53.0 -66.3 -33.6 -25.8 32.8 130.2 203 213 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.952 111.6 45.4 -63.8 -47.3 -24.8 30.9 133.4 204 214 A L H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 111.7 52.1 -63.5 -42.8 -27.3 32.9 135.4 205 215 A E H X S+ 0 0 99 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.952 112.7 46.0 -52.7 -50.0 -30.0 32.4 132.8 206 216 A E H X S+ 0 0 49 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 110.9 52.0 -65.7 -40.4 -29.4 28.7 132.9 207 217 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.873 105.3 55.2 -64.0 -38.7 -29.4 28.6 136.7 208 218 A R H X S+ 0 0 121 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.936 111.7 45.7 -58.5 -42.9 -32.8 30.4 136.8 209 219 A E H >< S+ 0 0 131 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.941 112.6 50.1 -59.0 -49.7 -34.0 27.6 134.6 210 220 A K H 3< S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.801 106.4 53.4 -70.0 -30.1 -32.4 24.9 136.7 211 221 A V H >< S+ 0 0 19 -4,-2.2 3,-1.4 -5,-0.1 -1,-0.3 0.682 81.2 114.4 -78.5 -16.3 -33.7 26.1 140.1 212 222 A K T << S+ 0 0 161 -3,-0.9 3,-0.1 -4,-0.7 -3,-0.0 -0.305 85.1 10.1 -58.4 131.6 -37.4 26.1 138.9 213 223 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 -0.000 100.6 123.8 91.0 -27.4 -39.5 23.6 140.7 214 224 A L < - 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0 0 19 -6,-0.4 -57,-0.2 -9,-0.1 3,-0.2 -0.863 64.2-167.4-100.4 126.5 0.3 7.9 135.3 707 196 C S S S+ 0 0 31 -59,-2.6 2,-0.3 -2,-0.5 -58,-0.2 0.800 77.0 6.8 -84.5 -31.9 1.5 11.5 134.9 708 197 C K E -z 649 0I 86 -60,-0.7 -58,-1.9 0, 0.0 2,-0.6 -0.941 58.1-152.4-150.7 134.4 3.3 10.8 131.6 709 198 C N E -z 650 0I 44 -2,-0.3 -58,-0.2 -60,-0.2 -57,-0.1 -0.925 9.2-163.2 -96.3 124.6 3.5 7.8 129.2 710 199 C F - 0 0 25 -60,-2.8 -58,-0.2 -2,-0.6 -59,-0.2 0.617 19.5-143.2 -86.3 -13.5 6.8 8.0 127.4 711 200 C N + 0 0 123 -61,-0.3 -59,-0.3 1,-0.2 -60,-0.1 0.916 45.5 149.1 48.3 53.3 5.7 5.5 124.6 712 201 C M - 0 0 39 -61,-3.1 -1,-0.2 -62,-0.1 -2,-0.1 -0.814 53.2 -90.0-111.7 154.3 9.1 3.9 124.4 713 202 C P > - 0 0 81 0, 0.0 3,-1.2 0, 0.0 7,-0.2 -0.373 24.1-134.0 -65.5 141.5 9.9 0.3 123.4 714 203 C S T 3 S+ 0 0 14 1,-0.3 3,-0.4 -2,-0.1 -62,-0.0 0.571 97.4 78.7 -68.4 -12.3 10.1 -2.3 126.2 715 204 C S T 3 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.476 98.1 43.6 -76.2 -1.4 13.3 -3.7 124.7 716 205 C N <> + 0 0 74 -3,-1.2 4,-1.4 -134,-0.1 3,-0.3 -0.528 53.8 158.9-150.2 74.0 15.2 -0.8 126.3 717 206 C A H > S+ 0 0 6 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.785 77.9 63.4 -59.9 -33.2 14.3 0.1 129.9 718 207 C E H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 102.8 47.5 -62.8 -42.2 17.7 1.9 130.3 719 208 C A H > S+ 0 0 36 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.882 112.1 50.1 -69.0 -40.0 16.8 4.4 127.6 720 209 C F H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.948 111.0 49.5 -57.1 -50.8 13.4 5.0 129.2 721 210 C N H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.898 112.2 47.4 -58.6 -42.7 15.1 5.5 132.6 722 211 C A H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.902 110.9 51.9 -66.5 -41.8 17.6 8.0 131.2 723 212 C K H X S+ 0 0 90 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.884 108.6 50.7 -63.3 -39.6 14.9 9.9 129.4 724 213 C V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.949 111.6 47.4 -63.6 -47.3 12.8 10.3 132.5 725 214 C L H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.875 110.6 52.6 -62.2 -38.2 15.8 11.6 134.5 726 215 C E H X S+ 0 0 109 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.928 111.4 46.4 -59.9 -47.1 16.6 14.0 131.6 727 216 C E H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.868 111.8 51.0 -63.1 -40.3 13.0 15.3 131.7 728 217 C L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.895 105.4 55.8 -67.7 -39.9 13.1 15.6 135.5 729 218 C R H X S+ 0 0 115 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.904 112.5 43.7 -57.1 -41.2 16.4 17.6 135.4 730 219 C E H >< S+ 0 0 124 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.927 111.1 53.1 -69.2 -46.3 14.6 20.1 133.1 731 220 C K H 3< S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.784 106.4 53.1 -64.0 -28.0 11.4 20.2 135.1 732 221 C V H >< S+ 0 0 19 -4,-1.8 3,-2.0 -5,-0.1 -1,-0.2 0.646 79.9 119.4 -83.4 -15.9 13.2 21.1 138.4 733 222 C K T << S+ 0 0 143 -3,-1.0 3,-0.1 -4,-0.5 -3,-0.0 -0.253 85.3 3.9 -53.3 127.6 15.1 24.0 136.9 734 223 C G T 3 S+ 0 0 54 1,-0.3 -1,-0.3 -593,-0.0 2,-0.2 0.368 99.6 125.3 79.4 -5.9 14.2 27.3 138.7 735 224 C L < - 0 0 17 -3,-2.0 2,-1.1 -592,-0.1 -1,-0.3 -0.582 67.9-120.0 -83.2 150.3 12.0 25.7 141.3 736 225 C Y >> - 0 0 46 -595,-2.7 3,-1.5 -2,-0.2 4,-0.9 -0.775 26.6-161.1 -86.8 99.9 12.5 26.2 145.0 737 226 C L H >> S+ 0 0 32 -2,-1.1 4,-1.6 1,-0.3 3,-0.6 0.829 84.7 63.2 -60.3 -37.0 13.0 22.5 146.0 738 227 C P H 3> S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.841 98.5 59.7 -53.7 -32.5 12.3 23.0 149.7 739 228 C S H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.857 100.1 54.8 -60.3 -40.7 8.8 24.1 148.6 740 229 C C H < S+ 0 0 11 -4,-1.4 3,-0.7 -3,-0.2 4,-0.4 0.929 114.9 52.8 -74.2 -45.7 1.2 18.8 154.1 747 236 C L H >< S+ 0 0 6 -4,-2.8 3,-1.7 1,-0.2 4,-0.4 0.884 104.0 57.8 -54.9 -43.1 -0.1 16.5 151.4 748 237 C K H >X S+ 0 0 43 -4,-2.9 4,-1.2 1,-0.3 3,-0.9 0.817 93.9 67.4 -58.9 -33.5 1.1 13.4 153.2 749 238 C S T << S+ 0 0 52 -4,-0.8 4,-0.4 -3,-0.7 -1,-0.3 0.680 83.4 75.1 -65.5 -18.7 -1.1 14.4 156.2 750 239 C N T <4 S+ 0 0 30 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.918 119.5 7.0 -57.0 -44.2 -4.3 13.8 154.2 751 240 C H T <> S+ 0 0 62 -3,-0.9 4,-2.5 -4,-0.4 5,-0.2 0.333 93.8 109.4-126.1 8.4 -3.9 10.0 154.5 752 241 C I H X S+ 0 0 37 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.887 83.6 48.1 -58.3 -43.8 -1.0 9.3 156.8 753 242 C D H > S+ 0 0 129 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.923 112.0 49.5 -64.9 -43.7 -3.3 8.0 159.7 754 243 C A H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 112.3 48.3 -60.9 -41.7 -5.2 5.7 157.3 755 244 C F H X S+ 0 0 25 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 112.6 47.4 -67.2 -42.6 -2.0 4.3 155.9 756 245 C N H X S+ 0 0 62 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.918 113.8 47.6 -65.3 -41.8 -0.4 3.7 159.3 757 246 C K H X S+ 0 0 97 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.938 112.7 49.9 -61.3 -45.8 -3.6 2.0 160.5 758 247 C A H X S+ 0 0 8 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.869 105.3 58.5 -64.6 -37.3 -3.8 -0.1 157.3 759 248 C N H X S+ 0 0 9 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.942 109.8 39.8 -59.8 -53.5 -0.2 -1.2 157.7 760 249 C S H X S+ 0 0 59 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.909 119.2 47.1 -67.8 -36.9 -0.5 -2.8 161.1 761 250 C V H X S+ 0 0 57 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.935 110.9 51.5 -70.2 -45.0 -3.9 -4.3 160.3 762 251 C E H X S+ 0 0 1 -4,-3.2 4,-1.6 -5,-0.2 -2,-0.2 0.930 112.4 44.6 -55.3 -50.2 -2.8 -5.7 156.9 763 252 C V H X S+ 0 0 3 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.905 117.5 44.1 -67.7 -39.3 0.3 -7.5 158.2 764 253 C N H < S+ 0 0 81 -4,-1.8 3,-0.5 -5,-0.2 4,-0.5 0.875 112.7 50.6 -74.5 -34.9 -1.5 -8.9 161.3 765 254 C E H < S+ 0 0 71 -4,-2.8 3,-0.5 1,-0.2 4,-0.4 0.786 103.7 59.6 -76.0 -21.9 -4.6 -10.1 159.4 766 255 C S H >X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 3,-1.4 0.774 87.2 79.6 -71.8 -26.1 -2.6 -11.8 156.7 767 256 C L H 3X S+ 0 0 21 -4,-0.7 4,-2.8 -3,-0.5 5,-0.2 0.861 86.6 54.7 -50.3 -44.6 -1.0 -14.1 159.4 768 257 C K H 3> S+ 0 0 102 -3,-0.5 4,-2.0 -4,-0.5 -1,-0.3 0.780 107.5 52.2 -63.7 -25.8 -4.1 -16.3 159.6 769 258 C Y H <>>S+ 0 0 22 -3,-1.4 4,-1.3 -4,-0.4 5,-0.5 0.946 112.1 43.2 -75.6 -48.4 -3.7 -16.9 155.8 770 259 C W H <5S+ 0 0 3 -4,-1.8 6,-0.2 2,-0.2 -2,-0.2 0.904 116.6 48.8 -59.1 -43.2 -0.1 -17.9 156.0 771 260 C V H <5S+ 0 0 55 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 104.3 57.6 -68.2 -42.6 -0.7 -20.0 159.1 772 261 C D H <5S- 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.844 108.2-132.2 -53.7 -35.4 -3.7 -21.8 157.5 773 262 C G T >X5 + 0 0 22 -4,-1.3 4,-2.1 -3,-0.2 3,-0.5 0.183 69.7 123.1 105.0 -13.3 -1.2 -22.8 154.8 774 263 C E H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 110.8 48.0 -63.7 -40.3 -0.7 -19.4 150.2 776 265 C L H <> S+ 0 0 44 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.941 110.2 52.1 -63.0 -50.3 2.1 -22.0 150.4 777 266 C K H < S+ 0 0 126 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.877 118.8 37.7 -48.0 -43.8 -0.1 -24.7 148.8 778 267 C R H >< S+ 0 0 59 -4,-2.0 3,-1.0 -114,-0.2 -2,-0.2 0.784 107.4 64.2 -82.4 -29.7 -0.9 -22.2 146.0 779 268 C F H 3< S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.703 91.5 66.2 -70.7 -22.4 2.6 -20.6 145.7 780 269 C R T 3< 0 0 187 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.1 0.750 360.0 360.0 -69.1 -27.1 4.2 -23.9 144.6 781 270 C Q < 0 0 175 -3,-1.0 -3,-0.0 -4,-0.2 0, 0.0 -0.312 360.0 360.0-128.1 360.0 2.3 -24.0 141.3