==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 01-OCT-79 1HDS . COMPND 2 MOLECULE: HEMOGLOBIN S (DEOXY) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ODOCOILEUS VIRGINIANUS; . AUTHOR E.L.AMMA,R.L.GIRLING . 572 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 39 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 7 3 1 2 5 1 0 1 2 2 0 2 1 2 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A V 0 0 87 0, 0.0 2,-0.3 0, 0.0 425,-0.0 0.000 360.0 360.0 360.0 52.6 40.1 15.4 4.9 2 2 A L - 0 0 29 427,-0.2 2,-0.2 71,-0.0 0, 0.0 -0.464 360.0-164.1 -29.7 84.9 43.0 13.8 6.7 3 3 A S >> - 0 0 50 -2,-0.3 4,-2.4 121,-0.1 5,-0.6 -0.409 22.7-111.1-110.9 151.4 42.3 17.9 7.4 4 4 A A H >5S+ 0 0 68 -2,-0.2 4,-0.9 2,-0.2 -1,-0.0 0.884 114.6 34.4 -55.5 -17.7 44.7 20.4 8.9 5 5 A A H >5S+ 0 0 63 3,-0.2 4,-1.9 2,-0.1 3,-0.3 0.909 116.3 59.0 -91.3 -31.9 43.5 21.4 12.0 6 6 A N H >5S+ 0 0 14 2,-0.4 4,-3.2 1,-0.2 -2,-0.2 0.724 113.5 41.6 -14.8 -79.4 42.0 17.6 12.4 7 7 A K H X5S+ 0 0 57 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.768 113.9 53.9 -45.1 -57.0 45.8 16.5 12.0 8 8 A S H >X< S+ 0 0 0 -4,-2.0 3,-0.5 -5,-0.3 4,-0.5 0.888 113.9 45.8 -45.7 -87.9 46.0 15.1 21.5 14 14 A W H >X S+ 0 0 7 -4,-1.7 4,-0.9 1,-0.4 3,-0.6 0.706 104.3 64.3 -14.7 -66.4 48.4 12.5 21.0 15 15 A G T 3< S+ 0 0 48 -4,-1.0 -1,-0.4 -5,-0.3 -2,-0.2 0.041 96.9 49.4 -34.2 8.7 51.1 14.6 22.3 16 16 A K T <4 S+ 0 0 118 -3,-0.5 -1,-0.2 -2,-0.5 -2,-0.1 -0.289 108.8 66.0-159.4 -29.0 49.7 15.1 26.4 17 17 A V T <4 S+ 0 0 15 -3,-0.6 2,-0.9 -4,-0.5 -2,-0.3 0.660 74.3 147.2 -60.7 -98.0 49.5 11.3 26.0 18 18 A G S >< S- 0 0 48 -4,-0.9 3,-0.8 1,-0.1 -1,-0.1 -0.773 77.9 -8.4 88.6-127.8 53.3 10.6 25.6 19 19 A G T 3 S+ 0 0 58 -2,-0.9 -1,-0.1 1,-0.2 4,-0.1 0.189 124.2 77.7-102.4 9.7 54.6 7.3 27.1 20 20 A N T 3 S+ 0 0 94 2,-0.2 3,-0.3 -3,-0.1 -1,-0.2 0.462 70.3 87.4 -93.5 -33.7 50.9 6.8 28.8 21 21 A A S X> S+ 0 0 4 -3,-0.8 4,-1.8 1,-0.2 3,-0.7 0.699 85.0 55.8 -58.0 -48.3 49.9 5.8 25.1 22 22 A P H 3> S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.988 106.1 47.2 -45.7 -34.4 51.1 2.4 26.4 23 23 A A H 34 S+ 0 0 33 -3,-0.3 -2,-0.2 3,-0.2 37,-0.1 0.565 110.1 52.9 -89.9 -53.6 48.8 2.5 29.2 24 24 A Y H X> S+ 0 0 28 -3,-0.7 3,-2.2 2,-0.3 4,-1.4 0.834 100.7 59.2 -94.3 -72.1 45.9 3.6 27.0 25 25 A G H 3X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.4 -2,-0.2 0.964 115.1 36.1 -21.6 -77.6 46.2 0.8 24.5 26 26 A A H 3< S+ 0 0 9 -4,-1.6 -1,-0.4 -5,-0.4 -2,-0.3 0.790 113.6 54.9 -59.6 -6.4 45.7 -1.7 27.2 27 27 A Q H <> S+ 0 0 32 -3,-2.2 4,-0.9 1,-0.2 3,-0.4 0.933 102.8 65.4 -90.4 -36.8 43.2 0.3 29.2 28 28 A A H < S+a 31 0A 0 -4,-1.4 2,-0.5 3,-0.2 -2,-0.2 0.640 113.8 23.5 -31.2 -47.9 41.5 0.3 25.9 29 29 A L T < S+ 0 0 2 -4,-1.1 -1,-0.2 2,-0.6 30,-0.1 -0.928 108.6 74.9-173.8 -81.5 40.8 -3.6 25.8 30 30 A Q T 4 S+ 0 0 61 -2,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.056 114.1 30.9 -18.9 -45.3 40.9 -3.9 29.4 31 31 A R B < S+a 28 0A 4 -4,-0.9 -2,-0.6 2,-0.2 3,-0.3 0.456 108.9 57.7 156.6 -65.3 37.9 -2.4 28.5 32 32 A M S > S+ 0 0 5 2,-0.2 4,-3.7 1,-0.2 7,-0.2 0.908 103.9 69.1 -86.9 -10.6 36.4 -3.6 25.0 33 33 A F T 4 S+ 0 0 18 1,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.682 112.2 23.7 -49.9 -39.7 36.7 -7.1 27.0 34 34 A L T 4 S+ 0 0 42 -3,-0.3 -1,-0.4 2,-0.1 -2,-0.2 0.438 127.6 46.9-125.5 -11.9 34.0 -6.2 29.3 35 35 A S T 4 S+ 0 0 11 -4,-0.2 -2,-0.2 1,-0.1 -3,-0.1 0.703 124.4 21.6-123.8 -12.5 32.2 -3.8 27.5 36 36 A F S >< S+ 0 0 25 -4,-3.7 3,-2.8 -5,-0.2 4,-0.3 -0.488 78.0 179.9-125.1 42.4 31.7 -5.2 23.8 37 37 A P T 3 + 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.538 69.6 72.7 -25.0 -40.3 32.2 -9.0 25.0 38 38 A T T 3 S+ 0 0 28 1,-0.2 3,-0.3 2,-0.1 -5,-0.1 0.712 87.1 67.3 -54.7 -28.6 31.7 -10.5 21.6 39 39 A T S X S+ 0 0 5 -3,-2.8 3,-1.6 1,-0.3 2,-1.2 0.781 79.8 82.6 -57.2 -42.7 35.4 -8.9 20.7 40 40 A K G > + 0 0 35 -4,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.674 69.3 78.8 -54.7 12.1 36.9 -11.4 23.1 41 41 A T G 3 S+ 0 0 36 -2,-1.2 -1,-0.3 -3,-0.3 -2,-0.1 0.864 84.5 58.5-112.7 -16.4 36.9 -14.2 20.6 42 42 A Y G < S+ 0 0 28 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.1 0.692 99.9 71.3 -36.4 -37.2 40.0 -12.9 18.8 43 43 A F X + 0 0 35 -3,-1.1 3,-1.9 -4,-0.4 -2,-0.2 0.198 53.3 139.5-124.2 62.7 41.4 -13.4 22.3 44 44 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.500 72.2 38.8 -31.6 -53.9 41.5 -16.9 22.6 45 45 A H T 3 S+ 0 0 109 -3,-0.1 2,-0.5 2,-0.1 -2,-0.1 -0.183 88.8 114.0 -58.3 -21.7 44.8 -17.1 24.3 46 46 A F < - 0 0 29 -3,-1.9 2,-0.5 -6,-0.1 -3,-0.0 -0.725 62.2-149.0-157.5 93.3 44.7 -14.5 26.3 47 47 A D - 0 0 95 -2,-0.5 8,-0.5 1,-0.0 5,-0.3 -0.662 19.2-164.6 -24.4 81.7 44.5 -14.5 30.0 48 48 A L - 0 0 46 -2,-0.5 5,-0.1 1,-0.4 -15,-0.1 0.140 24.4-174.6 -93.5 39.5 42.5 -11.3 29.5 49 49 A S - 0 0 76 2,-0.2 -1,-0.4 0, 0.0 2,-0.2 0.210 47.1 -99.3 29.8 -92.4 43.6 -11.3 33.5 50 50 A H S S+ 0 0 124 -3,-0.2 2,-0.7 2,-0.0 5,-0.1 0.233 113.9 7.2 70.1-101.7 41.9 -8.6 34.3 51 51 A G S S+ 0 0 63 -2,-0.2 2,-0.4 2,-0.1 -2,-0.2 -0.890 102.1 168.4-101.1 98.0 44.8 -6.3 34.1 52 52 A S > - 0 0 13 -2,-0.7 3,-2.8 -5,-0.3 2,-0.1 -0.958 50.7-126.1-116.5 115.7 47.3 -9.1 32.6 53 53 A A T 3> S+ 0 0 89 -2,-0.4 4,-1.0 1,-0.4 5,-0.2 0.011 111.8 69.1 -44.5 -0.6 50.7 -8.9 31.1 54 54 A Q H >> S+ 0 0 82 -7,-0.3 4,-3.8 2,-0.2 3,-1.3 0.913 106.2 35.7 -69.5 -57.1 49.1 -10.6 28.3 55 55 A Q H <> S+ 0 0 2 -3,-2.8 4,-0.7 -8,-0.5 -26,-0.2 0.459 113.5 61.0 -60.4 -22.9 47.0 -7.5 27.4 56 56 A K H 3> S+ 0 0 57 2,-0.2 4,-0.6 3,-0.2 -1,-0.3 0.471 102.1 44.6 -71.3 -60.0 49.7 -5.2 28.3 57 57 A A H X S+ 0 0 36 -4,-1.0 3,-1.4 1,-0.2 4,-1.3 0.968 118.5 40.1 -60.1 -71.3 48.0 -1.4 19.4 63 63 A A H 3X S+ 0 0 4 -4,-0.8 4,-1.1 -42,-0.3 -2,-0.2 0.666 104.2 61.6 -55.3 -27.5 49.6 2.4 20.7 64 64 A N H 3< S+ 0 0 120 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.857 114.9 38.1 -59.6 -39.9 53.2 2.0 19.3 65 65 A A H XX S+ 0 0 22 -3,-1.4 3,-1.1 -4,-1.1 4,-0.9 0.924 112.7 58.3 -75.8 -41.7 51.3 1.9 15.7 66 66 A L H 3X S+ 0 0 8 -4,-1.3 4,-1.1 1,-0.3 -1,-0.2 0.837 103.5 55.4 -19.3 -59.5 48.8 4.4 16.9 67 67 A T H 3< S+ 0 0 47 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.526 107.4 41.6 -69.1 -21.3 51.7 6.6 17.4 68 68 A K H <4 S+ 0 0 105 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.301 111.7 55.9 -87.3 -49.8 53.3 6.6 14.1 69 69 A A H >< S+ 0 0 0 -4,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.848 104.8 52.8 -65.7 -42.9 50.1 6.9 12.4 70 70 A Q T 3< S+ 0 0 44 -4,-1.1 3,-0.3 -5,-0.2 -1,-0.2 0.673 110.6 53.7 -67.4 -45.5 49.6 10.0 14.6 71 71 A G T 3 S+ 0 0 32 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.2 0.197 114.5 32.4-101.5 41.1 53.0 11.1 13.1 72 72 A H X + 0 0 61 -3,-1.1 3,-2.9 2,-0.0 2,-1.3 0.155 57.5 172.5 174.5 69.7 52.4 10.8 9.3 73 73 A L T 3 S+ 0 0 8 1,-0.5 -3,-0.0 -3,-0.3 -71,-0.0 -0.665 74.4 60.3 -75.5 105.1 48.7 11.6 8.4 74 74 A N T 3 S+ 0 0 130 -2,-1.3 -1,-0.5 0, 0.0 4,-0.4 -0.240 104.2 37.8 159.9 -33.6 49.6 11.4 4.5 75 75 A D <> + 0 0 106 -3,-2.9 4,-3.7 -6,-0.2 -2,-0.2 0.493 68.8 125.2-137.0 38.7 50.8 8.2 3.9 76 76 A L H > S+ 0 0 10 2,-0.3 4,-3.0 1,-0.3 5,-0.4 0.925 79.6 54.8 -47.9 -50.8 48.7 5.7 6.0 77 77 A P H 4 S+ 0 0 75 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.774 119.1 37.8 -54.9 -65.7 47.6 3.6 3.2 78 78 A G H 4 S+ 0 0 59 -4,-0.4 3,-0.4 1,-0.2 -2,-0.3 0.632 120.8 53.1 -54.2 -17.1 51.9 3.3 2.5 79 79 A T H < S+ 0 0 42 -4,-3.7 3,-0.4 1,-0.2 4,-0.3 0.876 112.0 35.4 -70.3 -51.8 52.2 3.2 6.3 80 80 A L S X S+ 0 0 7 -4,-3.0 4,-2.0 -3,-0.3 5,-0.4 0.454 76.3 119.0 -82.2 8.6 49.8 0.3 7.5 81 81 A S T >4 S+ 0 0 86 -3,-0.4 3,-0.6 -5,-0.4 4,-0.4 0.626 75.4 45.3 -79.4 -63.0 50.4 -1.8 4.6 82 82 A N T >4 S+ 0 0 168 -3,-0.4 3,-0.9 1,-0.3 4,-0.3 0.833 123.8 37.1 -41.5 -79.2 51.9 -4.8 7.0 83 83 A L T 3> S+ 0 0 62 -4,-0.3 4,-1.4 2,-0.3 -2,-0.3 0.377 98.3 75.0 -58.1 -6.0 49.0 -4.5 9.4 84 84 A S H S+ 0 0 36 -3,-0.9 3,-0.8 -4,-0.4 4,-0.6 0.928 107.6 63.8-104.5 -74.7 46.2 -7.5 6.0 86 86 A L H 34>S+ 0 0 72 -4,-0.3 5,-2.0 1,-0.2 4,-0.2 0.268 123.9 26.9 -14.6 -59.4 47.2 -9.1 9.5 87 87 A H H 3<>S+ 0 0 46 -4,-1.4 5,-1.3 3,-0.2 6,-0.9 0.878 126.9 38.6 -67.3 -54.4 43.8 -7.6 10.4 88 88 A A H <<5S+ 0 0 0 -4,-1.2 5,-0.4 -3,-0.8 -3,-0.2 0.935 131.2 11.6 -43.6 -81.7 41.6 -7.3 7.3 89 89 A H T <5S+ 0 0 75 -4,-0.6 -3,-0.2 3,-0.3 -2,-0.2 0.656 133.7 30.6 146.9-126.6 42.3 -10.1 5.7 90 90 A K T 5S+ 0 0 137 -5,-0.4 -3,-0.2 -4,-0.2 -4,-0.2 0.943 131.3 38.2 -49.9 -53.9 44.3 -13.1 7.6 91 91 A L T - 0 0 4 -2,-0.7 3,-0.7 1,-0.1 4,-0.1 -0.425 15.3-133.8 -60.6 130.2 34.7 -7.6 11.6 95 95 A P G >> S+ 0 0 21 0, 0.0 3,-2.7 0, 0.0 4,-1.1 0.740 106.4 63.1 -54.7 -41.9 34.4 -4.2 10.9 96 96 A V G 34 S+ 0 0 22 1,-0.3 4,-0.2 2,-0.2 -2,-0.1 0.700 98.0 64.5 -53.0 -18.3 31.7 -3.5 13.3 97 97 A N G X> S+ 0 0 9 -3,-0.7 4,-1.4 1,-0.2 3,-0.5 0.622 94.3 58.5 -82.8 -4.3 34.5 -4.6 15.8 98 98 A F H <> S+ 0 0 21 -3,-2.7 4,-1.1 1,-0.3 -2,-0.2 0.892 100.4 53.6 -86.0 -59.2 36.7 -1.4 14.8 99 99 A K H 3X S+ 0 0 120 -4,-1.1 4,-1.2 1,-0.3 -1,-0.3 0.591 110.8 53.7 -42.5 -11.5 34.1 1.2 15.8 100 100 A L H <> S+ 0 0 26 -3,-0.5 4,-1.2 -5,-0.2 -1,-0.3 0.783 103.6 46.8 -86.5 -76.6 34.1 -0.7 19.0 101 101 A L H X S+ 0 0 37 -4,-1.4 4,-2.0 2,-0.1 -2,-0.2 0.915 113.6 54.9 -48.1 -28.1 37.7 -0.7 19.9 102 102 A S H X S+ 0 0 17 -4,-1.1 4,-2.5 2,-0.3 5,-0.2 0.923 105.0 47.9 -84.9 -39.2 37.8 3.3 19.1 103 103 A H H X S+ 0 0 12 -4,-1.2 4,-0.5 3,-0.2 -1,-0.3 0.682 108.3 55.4 -59.7 -58.0 35.0 4.5 21.3 104 104 A S H >X S+ 0 0 0 -4,-1.2 3,-1.1 2,-0.2 4,-0.8 0.998 111.2 44.5 -57.8 -43.8 36.4 2.6 24.2 105 105 A L H 3X S+ 0 0 7 -4,-2.0 4,-3.3 1,-0.3 5,-0.2 0.844 108.4 56.5 -74.6 -29.1 40.0 4.5 23.7 106 106 A L H 3X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.1 -1,-0.3 0.849 110.4 47.5 -71.9 1.7 38.0 7.8 23.2 107 107 A V H < S+ 0 0 0 -4,-1.0 3,-1.7 2,-0.3 -2,-0.4 0.867 111.5 61.5 -38.3 -96.5 38.6 11.5 27.5 111 111 A S H 3< S+ 0 0 8 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.654 117.4 27.9 -30.5 -59.6 38.9 9.6 31.1 112 112 A H H 3< S+ 0 0 95 -4,-0.6 -2,-0.3 1,-0.2 -1,-0.3 0.403 123.8 47.0 -73.9 -31.1 42.6 10.8 31.6 113 113 A L - 0 0 65 -2,-0.7 4,-5.9 4,-0.0 5,-0.1 -0.206 54.3-112.3 -54.9 149.9 37.4 19.2 23.8 119 119 A P H > S+ 0 0 14 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.918 132.0 46.0 -63.4 -43.4 34.5 18.6 21.3 120 120 A A H >> S+ 0 0 45 2,-0.3 4,-1.5 1,-0.2 3,-1.5 0.620 117.2 38.1 -67.7 -49.9 36.9 20.1 19.0 121 121 A V H 3> S+ 0 0 10 1,-0.3 4,-2.2 3,-0.2 -1,-0.2 0.786 121.8 56.6 -42.7 -38.2 40.0 17.7 20.5 122 122 A H H 3X S+ 0 0 1 -4,-5.9 4,-1.4 -3,-0.3 -1,-0.3 0.793 106.0 41.6 -64.3 -37.5 37.1 15.3 20.5 123 123 A A H X S+ 0 0 15 -4,-1.5 4,-2.5 2,-0.2 3,-0.7 1.000 114.1 43.2 -60.1 -56.4 39.6 15.5 15.4 125 125 A L H 3X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.3 -1,-0.2 0.732 107.1 57.2 -44.5 -47.0 40.4 12.4 17.2 126 126 A N H 3X S+ 0 0 38 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.836 116.0 43.5 -51.7 -51.0 37.0 10.5 16.5 127 127 A K H XX S+ 0 0 38 -4,-1.4 4,-3.8 -3,-0.7 3,-0.8 0.826 104.9 54.7 -75.5 -79.8 37.9 11.1 13.1 128 128 A F H 3X S+ 0 0 1 -4,-2.5 4,-2.4 301,-0.2 5,-0.2 0.709 115.0 42.6 -23.2 -63.6 41.4 10.2 13.0 129 129 A L H 3X S+ 0 0 7 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.905 112.6 54.8 -54.8 -34.7 40.4 6.5 14.6 130 130 A A H X S+ 0 0 36 -4,-3.8 4,-1.2 1,-0.2 3,-0.8 0.959 116.3 54.5 -71.7 -46.6 40.9 7.5 9.3 132 132 A D H 3X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.827 107.8 43.4 -35.9 -79.6 42.6 4.3 11.3 133 133 A S H 3< S+ 0 0 14 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.864 109.6 55.0 -47.0 -49.6 39.9 1.8 10.9 134 134 A T H XX S+ 0 0 47 -4,-1.0 3,-0.8 -3,-0.8 4,-0.5 0.969 110.9 49.6 -73.1 -59.3 39.1 2.6 7.0 135 135 A V H >< S+ 0 0 16 -4,-1.2 3,-2.2 1,-0.2 -2,-0.2 0.940 113.0 43.1 -46.5 -67.2 42.8 1.9 6.2 136 136 A L T 3< S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.535 109.9 55.6 -60.3 9.7 43.1 -1.5 8.1 137 137 A T T X4 S+ 0 0 8 -3,-0.8 3,-1.2 -4,-0.5 -1,-0.2 0.880 74.8 115.4-109.7 -20.8 39.8 -2.7 6.8 138 138 A S T << + 0 0 27 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.1 0.091 65.3 75.2 -28.5 -60.6 41.2 -2.1 2.7 139 139 A K T 3 S+ 0 0 91 -55,-0.3 -1,-0.4 -54,-0.2 152,-0.1 0.911 102.6 34.5 -25.9 -76.1 40.9 -5.7 2.3 140 140 A Y < 0 0 21 -3,-1.2 -2,-0.2 1,-0.0 -1,-0.2 0.951 360.0 360.0 -21.8 -81.2 37.3 -5.2 2.2 141 141 A R 0 0 76 -4,-0.2 150,-0.3 -7,-0.1 -2,-0.1 0.931 360.0 360.0 -44.4 360.0 37.2 -2.2 0.5 142 !* 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 1 B M 0 0 96 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 77.5 18.7 -5.4 34.3 144 2 B L - 0 0 42 1,-0.2 0, 0.0 129,-0.0 0, 0.0 -0.637 360.0 -12.0-169.5-140.0 21.8 -7.0 35.1 145 3 B T > - 0 0 41 -2,-0.3 4,-0.9 2,-0.1 5,-0.3 -0.202 58.1-140.4 -68.2 164.4 23.3 -8.1 38.5 146 4 B A T 4 S+ 0 0 82 2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.829 121.8 60.1 -85.9 -7.6 20.6 -6.3 40.9 147 5 B E T > S+ 0 0 149 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.465 106.9 43.6 -79.0 -22.5 24.4 -6.1 42.3 148 6 B E H >> S+ 0 0 65 2,-0.2 3,-1.2 3,-0.1 4,-0.6 0.887 113.0 44.9-113.4 -81.5 24.8 -4.3 38.8 149 7 B K H 3X S+ 0 0 63 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.406 104.5 67.0 -23.2 -28.3 21.7 -2.1 39.0 150 8 B A H 34 S+ 0 0 54 -5,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.797 102.9 44.5 -49.5 -68.0 23.0 -1.5 42.5 151 9 B A H XX S+ 0 0 36 -3,-1.2 4,-1.8 -4,-0.6 3,-0.7 0.606 116.4 44.2 -39.5 -68.8 26.3 0.5 40.8 152 10 B V H 3X S+ 0 0 4 -4,-0.6 4,-1.4 1,-0.2 5,-0.3 0.924 108.9 56.0 -76.1 -24.4 24.3 2.7 38.2 153 11 B T H 3< S+ 0 0 87 -4,-1.6 4,-0.2 2,-0.2 -1,-0.2 0.675 117.4 33.0 -60.2 -36.0 21.7 3.6 40.4 154 12 B G H <> S+ 0 0 51 -3,-0.7 4,-2.6 3,-0.1 -3,-0.2 0.555 124.9 42.6 -82.8 -58.6 24.2 5.1 42.9 155 13 B F H < S+ 0 0 26 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.1 0.765 109.0 63.3 -68.9 -18.4 26.8 6.3 40.4 156 14 B W T >< S+ 0 0 25 -4,-1.4 3,-1.0 1,-0.2 -3,-0.1 0.770 101.4 49.2 -58.9 -74.6 23.8 7.6 38.1 157 15 B G T 34 S+ 0 0 60 1,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 0.698 100.0 62.8 -11.0 -64.7 22.7 10.1 40.8 158 16 B K T 3< S+ 0 0 137 -4,-2.6 2,-0.4 2,-0.0 -1,-0.3 0.533 86.0 104.0 -54.8 -8.5 26.5 11.8 41.4 159 17 B V S < S- 0 0 13 -3,-1.0 2,-0.2 1,-0.1 -3,-0.1 -0.708 79.1-135.7 -45.2 111.5 26.0 12.8 37.8 160 18 B D - 0 0 115 -2,-0.4 4,-0.4 1,-0.2 2,-0.2 -0.044 17.5-156.5 -79.4 46.7 25.1 16.5 37.4 161 19 B V S > S+ 0 0 38 1,-0.2 4,-3.4 -2,-0.2 2,-1.9 0.045 78.2 69.4 6.2 -59.5 22.0 16.5 34.6 162 20 B D T 4 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 44,-0.1 -0.166 120.0 5.1 -56.3 53.6 22.4 19.8 33.4 163 21 B V T > S+ 0 0 62 -2,-1.9 4,-1.3 39,-0.1 5,-0.3 0.048 115.0 76.3 132.1 -11.8 25.8 19.9 31.4 164 22 B V H > S+ 0 0 4 -4,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.979 116.4 27.3 -82.7 -34.6 26.3 16.0 31.8 165 23 B G H X S+ 0 0 3 -4,-3.4 4,-1.9 2,-0.2 5,-0.3 0.826 119.8 55.3 -96.7 -18.0 23.3 16.5 28.8 166 24 B A H 4 S+ 0 0 8 -5,-0.4 4,-0.2 3,-0.2 -1,-0.2 0.776 117.0 37.9 -54.1 -40.6 24.5 19.9 27.7 167 25 B Q H X S+ 0 0 23 -4,-1.3 4,-1.1 2,-0.2 5,-0.3 0.990 119.5 45.0 -76.1 -65.2 27.9 18.3 27.1 168 26 B A H X S+ 0 0 2 -4,-2.0 4,-1.0 1,-0.3 -2,-0.2 0.637 125.5 36.1 -59.5 -43.0 26.5 14.9 25.8 169 27 B L H X S+ 0 0 6 -4,-1.9 4,-1.3 2,-0.2 -1,-0.3 0.670 117.0 59.3 -73.7 -47.1 24.0 17.1 23.6 170 28 B G H 4 S+ 0 0 0 -5,-0.3 -2,-0.3 -4,-0.2 3,-0.3 0.769 113.4 29.5 -40.1 -85.3 26.8 19.4 23.3 171 29 B R H < S+ 0 0 9 -4,-1.1 5,-0.2 2,-0.2 -1,-0.2 0.227 107.8 65.7 -53.0 -32.0 29.4 17.1 21.6 172 30 B L H X S+ 0 0 10 -4,-1.0 4,-2.2 -5,-0.3 3,-0.4 0.819 102.2 62.7 -41.0 -47.1 27.0 14.8 19.8 173 31 B L T < S+ 0 0 0 -4,-1.3 2,-0.7 1,-0.3 -2,-0.2 0.972 115.7 20.3 -44.0 -75.8 26.6 18.3 18.1 174 32 B V T 4 S+ 0 0 33 1,-0.2 -1,-0.3 18,-0.1 -51,-0.1 -0.900 123.5 54.2-103.9 95.7 30.0 18.9 16.6 175 33 B V T 4 S+ 0 0 15 -2,-0.7 -3,-0.2 -3,-0.4 -2,-0.2 -0.222 119.8 33.4 165.3 -56.0 31.4 15.2 16.6 176 34 B Y S >< S+ 0 0 28 -4,-2.2 3,-2.6 -5,-0.2 2,-0.9 -0.522 78.1 178.2-105.7 55.8 28.0 13.8 14.4 177 35 B P T 3 S+ 0 0 42 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.503 71.2 62.8 -42.9 -21.0 27.7 17.0 12.5 178 36 B W T 3 S+ 0 0 11 -2,-0.9 4,-0.1 1,-0.1 204,-0.1 0.785 90.0 66.8 -78.5 -36.6 24.7 15.5 10.4 179 37 B T S X> S+ 0 0 9 -3,-2.6 4,-1.4 -7,-0.4 2,-1.3 0.468 79.2 86.6 -55.7 -21.8 22.5 15.1 13.8 180 38 B Q T 34 S+ 0 0 25 -4,-0.5 -1,-0.1 2,-0.3 9,-0.1 0.228 74.2 74.2 -74.4 13.7 22.6 18.9 13.6 181 39 B R T 34 S+ 0 0 50 -2,-1.3 3,-0.3 199,-0.1 -1,-0.2 0.419 79.7 61.9-105.5 -41.1 19.5 18.6 11.3 182 40 B F T X4 S+ 0 0 50 -3,-0.9 2,-0.7 1,-0.1 3,-0.5 0.950 101.0 65.3 -77.9 -21.0 17.1 17.8 13.7 183 41 B F G >< + 0 0 28 -4,-1.4 3,-0.7 1,-0.2 4,-0.3 -0.217 39.6 109.2-137.2 89.5 18.0 21.4 15.3 184 42 B Q G 3 S+ 0 0 209 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 -0.021 75.9 91.2 -95.1 -2.0 17.1 24.5 13.1 185 43 B H G < S+ 0 0 127 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.595 103.5 12.1 96.4 -50.0 14.9 23.8 16.5 186 44 B F S < S- 0 0 30 -3,-0.7 2,-0.2 1,-0.2 -2,-0.1 0.255 93.1-126.8-139.5 -84.5 17.7 26.3 18.0 187 45 B G S S+ 0 0 54 -4,-0.3 2,-3.5 8,-0.1 -1,-0.2 -0.451 74.8 61.9 177.7-102.7 20.2 28.4 15.7 188 46 B N + 0 0 106 1,-0.2 3,-0.3 -2,-0.2 7,-0.2 -0.271 48.0 121.2 -51.8 66.0 23.9 28.3 16.0 189 47 B L + 0 0 4 -2,-3.5 -1,-0.2 1,-0.3 3,-0.1 -0.169 57.9 90.6-110.8 29.4 25.5 24.8 15.4 190 48 B S S S+ 0 0 104 1,-0.2 2,-0.3 -16,-0.0 -1,-0.3 0.261 88.5 48.9-108.3 26.9 27.5 26.1 12.7 191 49 B S S > S- 0 0 66 -3,-0.3 4,-4.2 1,-0.1 -1,-0.2 -0.943 71.6-143.8-146.0 157.1 30.2 26.8 15.4 192 50 B A H > S+ 0 0 28 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.822 112.9 44.7 -88.0 -45.8 31.7 24.1 18.4 193 51 B G H > S+ 0 0 47 2,-0.2 4,-1.1 1,-0.1 5,-0.3 0.976 121.2 42.6 -47.9 -66.8 32.0 27.4 20.9 194 52 B A H >> S+ 0 0 32 1,-0.3 4,-3.2 2,-0.2 3,-0.8 0.901 110.7 52.9 -34.4 -79.4 28.4 28.4 19.5 195 53 B V H 3< S+ 0 0 0 -4,-4.2 -1,-0.3 -7,-0.2 -2,-0.2 0.688 109.5 48.6 -48.0 -33.9 26.6 24.9 19.6 196 54 B M H 3< S+ 0 0 26 -4,-2.0 -1,-0.2 5,-0.1 -2,-0.2 0.888 118.4 29.4 -70.0 -44.4 27.4 24.1 22.9 197 55 B N H << S+ 0 0 100 -4,-1.1 -2,-0.1 -3,-0.8 -3,-0.1 0.460 78.5 131.3 -72.7 -43.8 26.5 27.0 25.2 198 56 B N >< - 0 0 29 -4,-3.2 3,-1.1 -5,-0.3 2,-0.2 -0.166 68.0-131.8 -29.1 49.1 23.7 27.9 22.6 199 57 B P T 3> S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.100 104.8 57.1 12.1 -46.4 21.0 28.2 25.8 200 58 B K H 3> S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.748 105.5 37.2 -70.3 -51.2 19.0 26.1 23.6 201 59 B V H <> S+ 0 0 0 -3,-1.1 4,-1.5 -6,-0.2 3,-0.3 0.965 116.6 62.1 -71.5 -38.7 21.1 23.0 22.8 202 60 B K H >> S+ 0 0 72 2,-0.2 3,-1.0 1,-0.2 4,-0.7 0.860 109.1 35.3 -34.5 -78.9 21.9 23.7 26.5 203 61 B A H 3X S+ 0 0 48 -4,-2.5 4,-0.9 1,-0.3 3,-0.3 0.803 108.9 70.5 -32.5 -42.4 17.9 23.1 27.8 204 62 B H H 3X S+ 0 0 45 -4,-2.9 4,-2.7 -3,-0.3 -1,-0.3 0.970 104.5 35.4 -54.8 -67.1 17.6 20.4 25.2 205 63 B G H << S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-1.0 -2,-0.1 0.517 101.8 73.0 -68.2 -19.4 20.1 18.0 27.1 206 64 B K H >< S+ 0 0 71 -4,-0.7 3,-0.6 -3,-0.3 -3,-0.1 0.942 120.9 19.6 -76.6 -78.6 18.9 19.0 30.7 207 65 B R H 3< S+ 0 0 173 -4,-0.9 2,-2.1 1,-0.3 5,-0.4 0.910 111.2 72.7 -73.9 -38.3 15.8 17.0 29.7 208 66 B V T 3< S+ 0 0 41 -4,-2.7 -1,-0.3 3,-0.1 -3,-0.2 0.154 113.4 35.6 -64.0 30.1 17.4 15.1 27.0 209 67 B L S X> S+ 0 0 5 -2,-2.1 3,-2.2 -3,-0.6 2,-1.5 0.482 106.6 45.8-174.7-142.1 18.9 13.5 30.1 210 68 B D T 34 S+ 0 0 63 3,-0.3 -2,-0.1 1,-0.3 -3,-0.1 -0.665 108.6 70.6 -37.6 71.9 17.3 12.9 33.4 211 69 B A T 34 S+ 0 0 38 -2,-1.5 3,-0.3 -4,-0.1 -1,-0.3 -0.528 110.6 29.0 109.3 -38.4 14.6 11.6 31.0 212 70 B F T X4 S+ 0 0 24 -3,-2.2 3,-3.3 -5,-0.4 2,-1.9 0.368 119.7 53.3 -85.9 -69.3 16.9 8.8 30.3 213 71 B T T 3< S+ 0 0 11 -4,-0.6 -3,-0.3 1,-0.3 -1,-0.3 0.167 98.8 57.6 -78.1 66.4 18.2 8.9 33.3 214 72 B Q T 3 S+ 0 0 97 -2,-1.9 -1,-0.3 -3,-0.3 4,-0.2 -0.158 94.1 95.4 170.8 21.0 14.5 8.7 35.0 215 73 B G S < S+ 0 0 6 -3,-3.3 4,-0.4 2,-0.1 3,-0.2 0.901 75.7 49.1 -79.0 -78.3 14.8 5.4 32.7 216 74 B L S S+ 0 0 28 2,-0.3 3,-0.5 1,-0.2 4,-0.1 0.918 76.7 83.2 -55.1-155.2 15.8 3.4 35.1 217 75 B K S S+ 0 0 147 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.787 126.9 21.0 79.4-125.3 13.5 3.6 38.6 218 76 B H S S+ 0 0 50 -3,-0.2 -2,-0.3 -4,-0.2 -1,-0.3 0.701 91.6 159.0 -39.5-110.2 11.6 1.2 36.4 219 77 B L S S+ 0 0 37 -3,-0.5 2,-0.1 -4,-0.4 3,-0.1 0.455 76.7 74.8 47.1 23.2 14.8 -0.2 33.5 220 78 B D S S+ 0 0 66 1,-0.2 -1,-0.3 -4,-0.1 5,-0.2 -0.340 81.7 34.0 75.7 167.4 12.7 -2.2 33.5 221 79 B D S S+ 0 0 119 -3,-0.1 4,-0.3 -2,-0.1 -1,-0.2 0.192 94.5 45.8 -53.3 102.6 9.2 -2.4 32.0 222 80 B L - 0 0 103 1,-0.6 2,-0.7 2,-0.3 -3,-0.2 -0.030 36.1-176.9-127.6-146.6 9.3 -1.1 29.7 223 81 B K S S+ 0 0 63 58,-0.2 -1,-0.6 57,-0.1 59,-0.0 -0.348 106.0 100.1 23.0 89.4 10.2 0.4 26.3 224 82 B G S S+ 0 0 27 -2,-0.7 -2,-0.3 -3,-0.2 4,-0.2 -0.146 71.5 44.7 174.0 -72.6 7.1 1.4 28.4 225 83 B A S S+ 0 0 34 -4,-0.3 3,-0.4 2,-0.2 -3,-0.2 0.902 122.7 33.3 -74.5 -89.3 8.6 4.3 29.7 226 84 B F S > S+ 0 0 16 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.888 88.4 109.6 -44.8 -46.3 10.1 5.6 26.4 227 85 B A T 3 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.095 85.8 42.1 16.9 -77.9 7.0 4.0 24.4 228 86 B Q T 3> S+ 0 0 169 -3,-0.4 4,-0.7 2,-0.4 -1,-0.2 0.359 102.7 51.7 152.2 -79.2 6.1 7.5 23.9 229 87 B L H X> S+ 0 0 72 -3,-1.6 4,-1.2 2,-0.2 3,-1.1 0.973 107.7 66.9 -79.6 -17.5 9.1 9.8 23.1 230 88 B S H 3> S+ 0 0 0 -4,-0.4 4,-3.0 1,-0.3 -2,-0.4 0.649 99.1 58.5 -30.2 -56.0 9.4 6.5 20.2 231 89 B G H 3> S+ 0 0 34 -5,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.777 110.2 31.4 -30.9 -80.0 6.3 8.3 19.3 232 90 B L H S+ 0 0 103 -3,-1.1 4,-1.1 -4,-0.7 5,-0.7 0.692 114.9 61.1 -53.0 -56.8 7.8 11.6 18.7 233 91 B H H <>S+ 0 0 45 -4,-1.2 5,-1.9 1,-0.2 6,-1.4 0.879 115.9 31.6 -58.0 -52.8 11.3 10.1 17.4 234 92 B C H <5S+ 0 0 35 -4,-3.0 -2,-0.2 51,-0.2 -1,-0.2 0.831 115.3 90.6 -81.2 -31.3 9.8 8.1 14.2 235 93 B N H <5S- 0 0 101 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.1 0.636 117.2 -43.6 -35.6 -87.6 7.1 11.2 14.3 236 94 B K T <5S+ 0 0 193 -4,-1.1 -1,-0.1 0, 0.0 -3,-0.1 0.333 137.8 55.4-132.3 4.8 7.9 14.1 12.4 237 95 B L T - 0 0 40 1,-0.1 4,-1.5 86,-0.1 3,-0.2 -0.438 21.0-123.6 -86.5 152.2 17.8 6.3 13.0 241 99 B P H > S+ 0 0 62 0, 0.0 4,-0.5 0, 0.0 42,-0.2 0.515 117.0 68.3 -70.0 -6.4 17.9 3.9 15.7 242 100 B Q H > S+ 0 0 54 2,-0.2 4,-1.2 1,-0.1 3,-0.4 0.834 92.6 51.3 -81.5 -60.2 21.6 4.4 14.6 243 101 B N H > S+ 0 0 7 -3,-0.2 4,-0.9 2,-0.2 3,-0.4 0.816 102.6 65.7 -65.9 -16.4 21.7 8.0 15.9 244 102 B F H X S+ 0 0 19 -4,-1.5 4,-2.0 1,-0.2 35,-0.3 0.887 100.3 49.4 -54.0 -40.7 20.2 6.5 19.4 245 103 B R H X S+ 0 0 88 -4,-0.5 4,-1.0 -3,-0.4 -1,-0.2 0.953 111.5 48.4 -79.0 -38.5 23.4 4.5 19.9 246 104 B L H >X S+ 0 0 19 -4,-1.2 3,-2.1 -3,-0.4 4,-1.2 0.886 112.1 48.1 -56.8 -69.7 26.0 7.8 19.2 247 105 B L H 3X S+ 0 0 37 -4,-0.9 4,-3.1 2,-0.3 -1,-0.3 0.608 110.0 51.1 -29.5 -63.4 24.2 9.9 21.3 248 106 B G H 3X S+ 0 0 3 -4,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.701 115.2 44.9 -49.1 -28.1 24.4 6.9 23.9 249 107 B N H X S+ 0 0 1 -4,-1.2 3,-1.4 1,-0.2 4,-0.9 0.990 103.6 48.8 -65.1 -50.9 28.5 10.4 23.4 251 109 B L H >X S+ 0 0 4 -4,-3.1 4,-1.5 1,-0.2 3,-1.0 0.805 107.2 55.1 -51.5 -48.2 27.2 10.3 27.2 252 110 B A H 3X S+ 0 0 3 -4,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.845 107.3 49.3 -62.3 -25.4 29.8 7.5 28.0 253 111 B L H << S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.782 113.7 52.9 -65.3 -34.3 32.8 10.0 26.7 254 112 B V H XX S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.9 3,-1.3 0.872 114.7 34.9 -52.4 -76.8 31.0 12.7 29.0 255 113 B V H 3X S+ 0 0 3 -4,-1.5 4,-0.8 1,-0.3 -2,-0.2 0.558 109.4 64.0 -67.8 -30.5 31.0 10.8 32.2 256 114 B A H 3X S+ 0 0 0 -4,-1.0 4,-0.8 2,-0.2 -1,-0.3 0.482 116.9 29.1 -56.1 -33.1 34.2 9.1 31.5 257 115 B R H <4 S+ 0 0 45 -3,-1.3 -2,-0.3 2,-0.2 -3,-0.1 0.901 120.1 50.0-125.4 -37.4 36.0 12.6 31.7 258 116 B N H < S+ 0 0 71 -4,-2.0 -3,-0.2 2,-0.1 -2,-0.2 0.962 129.3 27.3 -56.8 -58.9 33.7 14.4 34.1 259 117 B F H < S+ 0 0 25 -4,-0.8 2,-0.6 1,-0.3 3,-0.4 0.599 91.0 174.4 -66.1 -45.3 34.1 11.2 36.5 260 118 B G >< + 0 0 10 -4,-0.8 3,-0.6 1,-0.3 -1,-0.3 -0.747 49.3 25.1 42.6 -98.5 36.8 10.2 35.5 261 119 B G T 3 S+ 0 0 80 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.302 120.2 54.3 -70.5 4.1 38.7 7.3 37.1 262 120 B Q T 3 S+ 0 0 73 -3,-0.4 2,-2.6 1,-0.2 5,-0.5 0.564 73.8 91.2 -96.9 -40.8 35.6 5.7 38.3 263 121 B F S < S+ 0 0 2 -3,-0.6 -1,-0.2 -7,-0.2 -152,-0.1 -0.408 78.0 175.7 -80.0 75.8 33.9 5.6 34.8 264 122 B T > - 0 0 52 -2,-2.6 4,-2.5 -3,-0.1 -2,-0.1 0.344 51.7 -94.7 112.4 157.0 36.1 2.2 35.4 265 123 B P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -3,-0.0 0.825 132.6 47.0 -74.8 -29.4 35.7 -0.6 32.3 266 124 B N H > S+ 0 0 102 3,-0.2 4,-1.1 1,-0.2 5,-0.2 0.948 115.1 37.7 -75.6 -43.1 32.8 -2.0 34.8 267 125 B V H > S+ 0 0 20 -5,-0.5 4,-0.9 2,-0.2 3,-0.2 0.767 122.1 45.7 -66.1 -26.0 31.2 1.2 35.5 268 126 B Q H >X S+ 0 0 0 -4,-2.5 3,-1.5 2,-0.2 4,-1.4 0.937 115.6 59.3 -48.8 -70.7 32.0 2.0 31.5 269 127 B A H 3X S+ 0 0 7 -4,-2.4 4,-0.6 1,-0.3 -1,-0.2 0.314 106.7 35.6 -23.4 -68.5 30.6 -1.7 31.3 270 128 B L H 3X S+ 0 0 10 -4,-1.1 4,-1.1 2,-0.2 -1,-0.3 0.343 111.3 59.1 -76.2 -28.5 27.2 -1.4 32.7 271 129 B F H X S+ 0 0 25 -4,-2.8 3,-1.5 -3,-0.4 4,-1.4 0.895 117.5 52.7 -76.9 -64.7 17.5 3.0 26.1 279 137 B A H 3> S+ 0 0 13 1,-0.4 4,-0.6 -35,-0.3 -2,-0.2 0.553 115.4 50.2 -20.8 -41.4 18.9 3.0 22.0 280 138 B N H >X S+ 0 0 75 -4,-1.9 4,-1.4 -5,-0.3 3,-0.8 0.935 105.7 41.3 -81.7 -57.4 17.0 0.3 21.8 281 139 B A H - 0 0 56 -2,-0.5 4,-2.0 -150,-0.3 5,-0.3 0.187 28.9-119.6 -36.1 169.4 41.2 -4.1 -6.5 292 4 C A T 4 S+ 0 0 76 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.562 116.7 53.0-121.5 25.8 41.9 -4.2 -10.1 293 5 C A T > S+ 0 0 60 3,-0.1 4,-0.6 2,-0.1 -1,-0.2 0.764 111.9 59.8-112.0 -20.8 39.8 -7.3 -11.1 294 6 C N H >> S+ 0 0 12 2,-0.3 4,-0.8 1,-0.1 3,-0.7 0.861 100.6 44.5 -57.5 -74.7 37.4 -5.0 -9.1 295 7 C K H 3X S+ 0 0 94 -4,-2.0 4,-0.6 1,-0.3 -3,-0.1 0.804 114.5 58.7 -35.1 -27.9 37.5 -1.8 -11.4 296 8 C S H 3> S+ 0 0 70 -5,-0.3 4,-3.4 3,-0.1 -1,-0.3 0.897 110.0 38.9 -53.4 -65.3 37.2 -4.6 -14.0 297 9 C N H S+ 0 0 88 -4,-0.6 4,-3.4 -5,-0.3 5,-0.6 0.915 104.3 36.2 -73.1 -64.2 32.8 -2.2 -15.7 300 12 C A H X5S+ 0 0 72 -4,-3.4 4,-1.7 2,-0.2 -2,-0.2 0.810 124.6 52.0 -74.6 -8.1 31.3 -4.9 -17.8 301 13 C A H X5S+ 0 0 2 -4,-2.1 4,-1.0 -5,-0.2 3,-0.4 0.966 117.8 33.2 -68.6 -65.9 28.6 -4.7 -15.0 302 14 C W H X5S+ 0 0 5 -4,-2.8 4,-1.8 2,-0.2 3,-0.3 0.652 117.8 54.6 -50.3 -40.8 28.0 -1.0 -15.3 303 15 C G H <5S+ 0 0 46 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.1 0.740 112.0 47.2 -77.4 -18.0 28.8 -1.1 -19.2 304 16 C K H < + 0 0 94 -3,-0.3 3,-0.8 1,-0.2 4,-0.4 0.983 68.2 94.9 -75.4 -74.6 18.9 1.5 -18.5 309 21 C A T 3> S+ 0 0 6 1,-0.2 4,-1.1 -7,-0.2 42,-0.3 0.861 81.7 52.9 -4.3 -43.7 21.4 3.4 -15.8 310 22 C P H 3> S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.927 112.5 39.4 -79.2 -42.2 18.6 6.3 -15.8 311 23 C A H <> S+ 0 0 48 -3,-0.8 4,-0.6 -4,-0.4 -2,-0.2 0.440 104.0 71.1 -56.5 -25.1 15.8 4.0 -15.0 312 24 C Y H > S+ 0 0 21 -4,-0.4 4,-1.0 2,-0.2 5,-0.3 0.831 104.5 39.0 -50.6 -76.6 18.2 2.1 -12.6 313 25 C G H >X S+ 0 0 5 -4,-1.1 4,-2.7 -3,-0.3 3,-1.4 0.884 111.9 58.6 -59.0 -37.9 18.1 5.4 -9.8 314 26 C A H 3X S+ 0 0 5 -4,-1.4 4,-2.6 1,-0.2 5,-0.5 0.899 108.5 44.2 -43.6 -56.9 14.6 5.9 -10.4 315 27 C Q H 3< S+ 0 0 37 -4,-0.6 4,-0.4 -5,-0.3 -1,-0.2 0.816 119.8 39.5 -63.6 -22.3 14.1 2.3 -9.3 316 28 C A H X S+ 0 0 44 -4,-2.6 4,-0.8 -5,-0.2 3,-0.7 0.899 111.5 59.0 -77.8 -31.3 11.9 4.5 -5.6 319 31 C R H >> S+ 0 0 6 -5,-0.5 3,-1.2 -4,-0.4 4,-0.6 0.785 108.9 43.5 -54.2 -79.5 13.0 1.1 -4.1 320 32 C M H 3X S+ 0 0 8 -4,-1.7 4,-1.7 1,-0.2 7,-0.2 0.002 105.4 56.8 -48.9 -16.3 14.3 2.8 -0.5 321 33 C F H <4 S+ 0 0 1 -3,-0.7 -1,-0.2 -4,-0.4 7,-0.1 0.522 120.5 39.9 -73.1 -40.7 11.2 5.6 0.4 322 34 C L H << S+ 0 0 49 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.1 0.984 129.2 25.9 -58.9 -72.3 9.2 2.3 0.2 323 35 C S H < S+ 0 0 9 -4,-0.6 -2,-0.2 -5,-0.2 -3,-0.2 0.410 138.4 25.3 -61.8 -20.8 11.6 -0.2 1.9 324 36 C F S >< S+ 0 0 16 -4,-1.7 3,-1.1 -5,-0.1 -1,-0.1 -0.628 72.5 175.5-171.6 62.3 13.5 2.5 4.2 325 37 C P G > + 0 0 72 0, 0.0 3,-3.1 0, 0.0 4,-0.3 0.605 63.1 74.4 -27.3 -39.2 11.2 5.6 4.8 326 38 C T G 3 S+ 0 0 48 1,-0.3 3,-0.4 2,-0.2 -5,-0.1 0.726 91.8 68.1 -75.8 -16.2 12.8 8.0 7.2 327 39 C T G X S+ 0 0 5 -3,-1.1 3,-1.6 -7,-0.2 4,-0.3 0.642 74.7 85.6 -93.6 -10.3 15.0 8.8 4.1 328 40 C K G X S+ 0 0 75 -3,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.621 75.9 72.8 -64.8 -8.1 11.9 10.3 2.5 329 41 C T G 3 S+ 0 0 45 1,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.543 77.3 70.1 -80.9 -36.4 12.8 13.5 4.3 330 42 C Y G < S+ 0 0 32 -3,-1.6 -1,-0.4 1,-0.2 -2,-0.2 0.854 101.5 57.6 -77.4 -12.4 15.7 14.3 2.1 331 43 C F < + 0 0 31 -3,-1.0 3,-0.3 -4,-0.3 -1,-0.2 -0.192 49.1 134.1-132.1 67.2 12.9 14.9 -0.3 332 44 C P + 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.943 69.2 69.1 -75.1 -73.9 10.1 17.5 0.3 333 45 C H S S+ 0 0 135 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 0.775 97.6 71.6 -13.5 -50.2 10.1 19.4 -3.2 334 46 C F S S- 0 0 49 -3,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.105 73.3-131.9 -97.5 148.2 8.6 16.1 -4.9 335 47 C D - 0 0 126 -2,-0.2 2,-0.4 2,-0.0 7,-0.4 -0.796 48.5-172.3 -96.5 117.3 5.8 14.0 -5.2 336 48 C L + 0 0 36 -2,-0.9 3,-0.1 1,-0.2 5,-0.0 -0.873 33.4 76.6 147.1 124.2 7.4 11.1 -4.7 337 49 C S S S+ 0 0 16 -2,-0.4 2,-0.2 1,-0.3 -1,-0.2 0.679 75.7 6.0-127.9-175.5 6.3 8.7 -5.0 338 50 C H S S- 0 0 133 -3,-0.1 2,-0.7 2,-0.1 -1,-0.3 -0.901 110.1 -11.1-122.7 -95.7 5.6 6.6 -7.6 339 51 C G S S+ 0 0 82 -2,-0.2 2,-0.3 4,-0.1 -3,-0.0 -0.449 93.8 170.0 -74.1 118.1 6.1 6.7 -11.4 340 52 C S > - 0 0 12 -2,-0.7 4,-1.6 1,-0.1 3,-0.2 -0.941 49.0-142.9-121.0 128.4 7.0 10.1 -10.7 341 53 C A H > S+ 0 0 103 -2,-0.3 4,-0.5 2,-0.3 5,-0.3 0.735 104.7 51.4 -62.9 -10.7 8.7 12.9 -13.0 342 54 C Q H > S+ 0 0 75 -7,-0.4 4,-4.0 3,-0.2 -1,-0.2 0.924 115.0 43.2 -76.6 -41.9 10.8 14.4 -10.1 343 55 C Q H > S+ 0 0 2 -8,-0.4 4,-2.6 2,-0.3 -2,-0.3 0.511 112.9 46.5 -72.9 -47.0 12.1 11.0 -9.3 344 56 C K H >X S+ 0 0 62 -4,-1.6 3,-1.6 3,-0.2 4,-1.0 0.940 117.4 53.7 -65.9 -78.8 12.8 9.6 -13.2 345 57 C A H >X S+ 0 0 58 -4,-0.5 3,-1.0 2,-0.2 4,-0.7 0.657 116.4 35.6 -21.8 -58.0 14.5 13.5 -13.2 346 58 C H H >X S+ 0 0 52 -4,-4.0 4,-1.2 1,-0.3 3,-0.6 0.907 107.1 60.0 -71.6 -39.0 16.7 12.6 -10.0 347 59 C G H X S+ 0 0 34 -4,-1.2 4,-0.9 2,-0.2 3,-0.7 0.921 118.5 46.7 -43.9 -66.8 22.3 9.5 -9.2 351 63 C A H >X S+ 0 0 2 -4,-2.9 3,-2.6 2,-0.3 4,-0.8 0.730 110.3 45.5 -9.9-102.6 22.8 7.6 -12.4 352 64 C N H 3X S+ 0 0 81 -4,-3.6 4,-2.2 1,-0.3 -1,-0.3 0.288 108.7 58.2 -7.8 -58.3 25.0 10.0 -14.3 353 65 C A H < S+ 0 0 122 -4,-2.2 3,-0.7 2,-0.2 4,-0.5 0.904 105.0 62.9 -32.0 -78.3 31.0 9.5 -14.2 357 69 C A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 6,-0.2 0.717 118.4 23.9 -49.5 -25.8 32.4 7.7 -10.9 358 70 C Q T 3< S+ 0 0 3 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.654 89.9 85.4-146.3 17.2 33.7 4.7 -12.9 359 71 C G S < S+ 0 0 58 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.006 112.1 31.7 73.1 -71.4 34.2 6.0 -15.8 360 72 C H > + 0 0 54 -4,-0.5 2,-3.2 -5,-0.1 3,-1.9 -0.147 56.6 164.6-164.6 72.3 37.3 6.7 -13.4 361 73 C L T 3 + 0 0 30 1,-0.2 -3,-0.1 2,-0.2 -66,-0.1 -0.204 69.7 70.4 -74.3 68.9 38.1 4.1 -10.9 362 74 C N T 3 S+ 0 0 134 -2,-3.2 -1,-0.2 -67,-0.0 -4,-0.0 0.148 117.3 18.2-161.2 -12.7 42.1 5.6 -10.2 363 75 C D <> + 0 0 77 -3,-1.9 4,-2.1 -6,-0.2 -2,-0.2 -0.307 53.7 159.3 170.0 71.9 40.4 8.4 -8.6 364 76 C L H > S+ 0 0 21 2,-0.2 4,-5.4 3,-0.2 5,-0.1 0.959 77.5 63.1 -73.1 -30.8 36.8 9.2 -7.2 365 77 C P H 4 S+ 0 0 84 0, 0.0 5,-0.4 0, 0.0 4,-0.4 0.861 105.0 45.0 -53.1 -32.7 37.7 12.3 -4.8 366 78 C G H >4 S+ 0 0 41 2,-0.2 3,-0.5 1,-0.1 4,-0.2 0.930 116.8 45.8 -84.7 -49.0 38.7 14.4 -7.3 367 79 C T H 3< S+ 0 0 24 -4,-2.1 2,-0.5 1,-0.2 3,-0.3 0.964 122.4 39.7 -56.1 -40.5 35.7 13.4 -9.5 368 80 C L T 3X>S+ 0 0 8 -4,-5.4 4,-0.8 1,-0.1 5,-0.8 -0.059 77.2 94.7 -91.5 30.5 33.4 13.8 -6.4 369 81 C S T <45S+ 0 0 75 -3,-0.5 5,-0.3 -2,-0.5 4,-0.2 0.523 95.0 52.4 -81.8 -42.8 34.3 16.9 -4.1 370 82 C N T 45S+ 0 0 155 -5,-0.4 4,-0.5 -3,-0.3 -2,-0.1 0.911 118.3 39.8 -51.6 -47.7 31.6 18.8 -6.1 371 83 C L T 45S+ 0 0 49 2,-0.2 3,-0.3 -4,-0.2 -2,-0.2 0.727 114.2 32.4 -53.1 -93.2 29.3 16.0 -5.3 372 84 C S T X5S+ 0 0 1 -4,-0.8 4,-3.8 2,-0.2 5,-0.3 0.207 103.4 71.6 12.6 -16.9 29.1 14.5 -2.3 373 85 C N H >XS+ 0 0 61 -5,-0.8 5,-0.9 3,-0.4 4,-0.6 0.926 98.8 51.2 -94.0 139.4 30.1 17.6 -0.0 374 86 C L H 4>S+ 0 0 76 -4,-0.5 5,-6.1 -5,-0.3 6,-0.5 0.919 120.9 37.6 -19.7 -27.2 26.4 19.3 -0.8 375 87 C H H 4>S+ 0 0 40 4,-0.2 6,-1.4 3,-0.2 5,-0.8 0.959 129.6 36.6 -85.4 -49.7 25.2 15.7 0.4 376 88 C A H <5S+ 0 0 2 -4,-3.8 4,-0.4 48,-0.6 -3,-0.4 0.915 139.0 10.4 -86.8 -89.3 28.1 15.9 2.9 377 89 C H T <5S+ 0 0 74 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.553 135.9 33.9 -75.8 -16.3 28.3 19.5 4.1 378 90 C K T - 0 0 15 -2,-1.0 3,-0.8 1,-0.2 4,-0.4 -0.396 26.5-110.9 -49.1 141.2 23.7 11.3 7.8 383 95 C P G >> S+ 0 0 9 0, 0.0 3,-3.3 0, 0.0 4,-0.7 0.934 101.9 74.4 -71.5 -17.6 25.9 8.5 6.5 384 96 C V G 34 S+ 0 0 28 1,-0.3 3,-0.3 3,-0.1 4,-0.2 0.735 88.0 65.1 -32.8 -43.4 23.5 5.3 7.2 385 97 C N G <> S+ 0 0 6 -3,-0.8 4,-2.7 2,-0.2 -1,-0.3 0.623 84.2 68.4 -62.7 -29.9 21.7 6.2 4.7 386 98 C F H <> S+ 0 0 24 -3,-3.3 4,-1.0 -4,-0.4 -2,-0.1 0.943 97.4 55.8 -43.1 -55.5 24.5 5.6 2.0 387 99 C K H X S+ 0 0 124 -4,-0.7 4,-2.5 -3,-0.3 -1,-0.3 0.786 103.4 57.7 -67.7 -16.6 24.3 1.8 2.6 388 100 C L H > S+ 0 0 34 -4,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.968 109.6 43.7 -87.0 -56.1 20.3 1.9 1.7 389 101 C L H X S+ 0 0 35 -4,-2.7 4,-4.6 2,-0.2 -2,-0.2 0.763 110.1 55.8 -50.4 -44.2 20.9 3.3 -1.5 390 102 C S H X S+ 0 0 20 -4,-1.0 4,-2.6 1,-0.3 -2,-0.2 0.972 117.5 35.1 -18.3 -88.8 23.7 0.9 -2.0 391 103 C H H X S+ 0 0 22 -4,-2.5 4,-1.3 2,-0.2 -1,-0.3 0.704 112.6 60.0 -51.7 -32.4 21.3 -1.9 -1.4 392 104 C S H X S+ 0 0 0 -4,-1.3 4,-2.5 3,-0.2 3,-0.4 0.990 116.9 33.3 -57.8 -55.8 18.4 -0.1 -3.1 393 105 C L H X S+ 0 0 10 -4,-4.6 4,-2.6 2,-0.4 -2,-0.2 0.797 116.0 57.6 -83.6 -38.0 20.6 -0.0 -6.5 394 106 C L H X S+ 0 0 5 -4,-2.6 4,-1.0 2,-0.3 -1,-0.2 0.695 115.1 34.6 -73.2 -21.7 22.2 -3.3 -5.7 395 107 C V H X S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.4 0.809 116.3 57.1 -89.8 -57.5 18.8 -5.1 -5.5 396 108 C T H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 3,-0.3 0.837 115.9 38.4 -76.4 -68.2 17.7 -2.5 -8.4 397 109 C L H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.910 112.6 53.6 -37.0 -75.0 20.9 -4.2 -10.4 398 110 C A H < S+ 0 0 0 -4,-1.0 -1,-0.2 2,-0.4 -2,-0.2 0.719 106.7 54.0 156.8 -72.3 20.4 -7.9 -9.3 399 111 C S H < S+ 0 0 14 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.932 116.0 37.7 -53.1 -36.3 16.8 -7.7 -10.6 400 112 C H H < S+ 0 0 66 -4,-1.4 -2,-0.4 1,-0.3 -1,-0.2 0.745 128.5 26.0 -95.6 -46.8 17.9 -6.4 -14.3 401 113 C L S >X S+ 0 0 14 -4,-1.2 4,-3.9 1,-0.1 3,-1.5 -0.725 72.6 139.9-126.3 80.6 21.1 -8.3 -15.0 402 114 C P T 34 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.533 76.7 52.4 -97.0 16.8 20.8 -11.6 -12.9 403 115 C T T 34 S+ 0 0 159 3,-0.1 3,-0.1 -3,-0.0 -5,-0.1 0.179 124.4 36.8-103.1 -8.5 22.2 -14.0 -15.5 404 116 C N T <4 S+ 0 0 40 -3,-1.5 2,-0.9 -6,-0.1 -6,-0.1 0.648 95.4 79.9-106.6 -61.9 24.9 -11.2 -15.3 405 117 C F S < S+ 0 0 0 -4,-3.9 -1,-0.1 -7,-0.2 -4,-0.1 -0.886 72.3 179.5 -82.4 58.3 25.0 -10.2 -11.6 406 118 C T >>> - 0 0 63 -2,-0.9 4,-3.3 -3,-0.1 5,-0.6 0.068 48.2 -99.3 -23.2 141.6 27.3 -13.3 -10.4 407 119 C P H 3>5S+ 0 0 34 0, 0.0 4,-0.8 0, 0.0 -2,-0.0 0.873 130.6 44.1 -59.2 -35.1 28.5 -14.1 -7.1 408 120 C A H 3>5S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.692 114.3 49.3 -81.7 -23.6 31.9 -12.4 -8.1 409 121 C V H <>5S+ 0 0 14 -3,-0.5 4,-1.6 3,-0.2 -1,-0.2 0.986 110.3 52.8 -90.9 -53.3 30.1 -9.1 -10.1 410 122 C H H X5S+ 0 0 1 -4,-3.3 4,-1.9 3,-0.2 5,-0.2 0.811 111.3 49.6 -53.5 -32.9 27.7 -8.5 -6.8 411 123 C A H XX S+ 0 0 12 -4,-1.0 4,-1.5 2,-0.2 3,-0.9 0.863 119.2 50.8 -47.7 -78.6 33.0 -6.0 -7.0 413 125 C L H >X S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.3 4,-0.7 0.762 111.3 51.1 -26.2 -56.7 29.5 -3.8 -7.5 414 126 C N H 3X S+ 0 0 43 -4,-1.9 4,-2.6 2,-0.3 -1,-0.3 0.718 110.3 45.3 -50.3 -55.4 29.1 -3.9 -3.5 415 127 C K H X S+ 0 0 2 -4,-0.7 3,-1.2 1,-0.4 4,-1.0 0.967 108.2 57.7 -84.8 -63.8 29.3 1.6 -3.6 418 130 C A H 3X S+ 0 0 19 -4,-2.6 4,-3.2 1,-0.3 -1,-0.4 0.790 115.5 44.8 -36.3 -27.2 31.1 1.5 -0.0 419 131 C N H X S+ 0 0 46 -4,-3.2 4,-1.6 1,-0.3 3,-0.8 0.815 113.0 49.1 -47.0 -58.2 33.1 6.7 1.6 423 135 C V H 3< S+ 0 0 12 -4,-1.0 -1,-0.3 2,-0.3 4,-0.3 0.987 105.4 58.1 -78.7 -37.5 34.2 9.6 -0.5 424 136 C L H 3< S+ 0 0 10 -4,-2.1 -48,-0.6 -3,-0.3 3,-0.3 0.843 110.0 50.3 -64.5 -22.1 30.3 11.2 -0.4 425 137 C T H X< S+ 0 0 15 -4,-1.1 2,-3.6 -3,-0.8 3,-1.3 0.954 86.4 99.7-103.8 -69.8 30.9 11.1 3.5 426 138 C S G >< + 0 0 55 -4,-1.6 3,-0.5 1,-0.3 -1,-0.1 -0.079 51.6 84.1 36.9 -64.6 34.4 13.0 3.4 427 139 C K G 3 S+ 0 0 79 -2,-3.6 2,-0.4 1,-0.6 -1,-0.3 0.798 111.4 33.7 -31.9 -36.8 33.5 16.2 4.4 428 140 C Y G < 0 0 8 -3,-1.3 -1,-0.6 -5,-0.2 -2,-0.3 -0.608 360.0 360.0-138.2 138.4 33.9 14.3 7.1 429 141 C R < 0 0 79 -3,-0.5 -301,-0.2 -2,-0.4 -427,-0.2 -0.636 360.0 360.0 141.2 360.0 36.1 11.5 8.2 430 !* 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 0.0 431 1 D M 0 0 133 0, 0.0 -144,-0.1 0, 0.0 -145,-0.0 0.000 360.0 360.0 360.0 119.6 3.5 -4.3 12.8 432 2 D L - 0 0 54 5,-0.0 3,-0.3 4,-0.0 4,-0.3 0.716 360.0-130.2 171.3 -33.3 3.3 -7.3 10.3 433 3 D T - 0 0 79 1,-0.2 2,-1.8 2,-0.1 3,-0.4 0.873 40.9 -96.3 63.2 103.9 0.4 -4.8 8.6 434 4 D A S S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 -0.493 99.6 15.7 -94.4 133.8 -1.8 -7.2 8.5 435 5 D E S S+ 0 0 141 -2,-1.8 2,-0.3 -3,-0.3 -1,-0.2 0.700 95.5 76.2-118.7 138.8 -1.7 -8.3 6.0 436 6 D E S S+ 0 0 95 -3,-0.4 -2,-0.0 3,-0.3 -4,-0.0 -0.565 96.5 81.3 99.9 86.0 1.0 -7.8 3.5 437 7 D K S S- 0 0 38 -2,-0.3 -4,-0.1 -3,-0.1 -5,-0.0 -0.806 113.9 -9.0 135.9 105.3 2.4 -9.9 5.7 438 8 D A S S+ 0 0 48 -6,-0.2 2,-0.3 4,-0.0 69,-0.1 0.731 131.0 63.2-176.2 55.7 1.6 -12.9 5.2 439 9 D A S S+ 0 0 56 0, 0.0 -3,-0.3 0, 0.0 4,-0.3 0.519 112.1 45.5 -27.2 -81.1 -0.9 -12.3 2.8 440 10 D V S > S+ 0 0 29 -2,-0.3 3,-0.6 2,-0.2 2,-0.3 0.570 100.1 62.8 -43.7 -24.0 2.3 -10.8 0.8 441 11 D T T 3 S+ 0 0 19 2,-0.3 4,-0.2 1,-0.2 2,-0.2 -0.360 83.5 85.3 -96.1 61.5 4.9 -14.3 1.8 442 12 D G T 3 S+ 0 0 67 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.309 89.4 51.2 54.3 -86.4 1.6 -15.9 -0.6 443 13 D F S < S+ 0 0 34 -3,-0.6 -2,-0.3 -4,-0.3 -3,-0.1 0.837 98.4 82.5 -52.6 -56.5 4.6 -14.5 -2.1 444 14 D W S S+ 0 0 25 1,-0.1 2,-0.5 60,-0.1 -2,-0.1 0.432 87.3 34.2 -6.0-137.1 6.7 -17.0 0.4 445 15 D G S S+ 0 0 46 1,-0.2 2,-0.1 -4,-0.2 -1,-0.1 -0.493 93.6 77.1 -61.6 117.6 7.0 -20.5 -1.0 446 16 D K S S+ 0 0 185 -2,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.554 81.3 85.1 97.3 87.9 7.2 -20.2 -4.2 447 17 D V S S- 0 0 22 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.428 84.6-117.0-176.0 155.1 10.3 -19.4 -3.5 448 18 D D - 0 0 91 -2,-0.2 4,-0.4 1,-0.1 5,-0.3 -0.157 8.9-136.0-122.8 142.7 12.8 -22.5 -3.1 449 19 D V S S+ 0 0 35 -2,-0.4 2,-1.7 1,-0.2 3,-0.2 -0.363 88.2 21.6 -78.4-163.6 14.9 -24.1 -0.8 450 20 D D S > S+ 0 0 75 1,-0.3 4,-2.2 2,-0.1 -1,-0.2 -0.279 126.7 56.8 33.0 -64.8 18.4 -25.5 -1.2 451 21 D V H > S+ 0 0 73 -2,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.771 110.2 37.7 -62.0 -42.0 18.4 -23.0 -4.2 452 22 D V H > S+ 0 0 3 -4,-0.4 4,-3.2 -3,-0.2 -1,-0.2 0.873 122.1 42.6 -49.3 -64.8 17.6 -19.7 -2.2 453 23 D G H > S+ 0 0 0 -5,-0.3 4,-3.8 3,-0.2 -1,-0.2 0.944 115.7 47.5 -45.2 -42.4 19.8 -20.5 1.1 454 24 D A H X S+ 0 0 14 -4,-2.2 4,-0.9 -3,-0.3 -1,-0.2 0.878 118.2 43.0 -82.1 -31.1 22.6 -21.9 -0.7 455 25 D Q H X S+ 0 0 22 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.867 120.1 41.5 -36.9 -65.7 22.3 -18.7 -2.9 456 26 D A H X S+ 0 0 2 -4,-3.2 4,-1.7 2,-0.3 3,-0.3 0.837 120.6 44.0 -70.5 -64.1 21.8 -16.4 0.2 457 27 D L H X S+ 0 0 2 -4,-3.8 4,-1.1 1,-0.3 -2,-0.2 0.608 115.5 50.3 -61.5 -16.5 24.5 -18.3 2.3 458 28 D G H X S+ 0 0 0 -4,-0.9 4,-2.7 2,-0.2 -2,-0.3 0.935 110.0 44.9 -93.8 -26.7 26.9 -18.3 -0.6 459 29 D R H X S+ 0 0 2 -4,-1.1 4,-2.1 2,-0.3 -2,-0.2 0.845 114.5 49.2 -75.0 -40.2 26.8 -14.7 -1.7 460 30 D L H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.3 7,-0.3 0.914 108.8 52.4 -71.3 -50.4 27.1 -13.5 1.9 461 31 D L H < S+ 0 0 0 -4,-1.1 -2,-0.3 -5,-0.2 7,-0.3 0.939 119.1 37.7 -65.9 -60.7 30.2 -15.9 2.5 462 32 D V H < S+ 0 0 24 -4,-2.7 -2,-0.3 18,-0.2 -1,-0.1 0.765 119.2 48.9 -73.2 -37.9 32.0 -14.3 -0.9 463 33 D V H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.2 0.780 119.9 27.1 -72.2 -48.8 30.8 -10.7 -0.2 464 34 D Y S >< S- 0 0 26 -4,-2.2 3,-2.2 1,-0.1 -1,-0.2 -0.881 75.3-171.3-106.9 86.0 31.7 -9.8 3.9 465 35 D P T > S+ 0 0 38 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.242 77.6 74.7 -48.7 -31.9 34.6 -12.3 3.8 466 36 D W T >> S+ 0 0 25 1,-0.3 3,-2.2 2,-0.1 4,-0.6 0.567 84.0 83.5 -63.1 -27.3 35.0 -11.8 7.9 467 37 D T H X> S+ 0 0 4 -3,-2.2 3,-1.1 -7,-0.3 4,-0.7 0.897 81.5 54.0 -39.4 -51.4 31.7 -14.0 7.4 468 38 D Q H X4 S+ 0 0 42 -3,-0.6 3,-0.6 -7,-0.3 -1,-0.2 0.741 79.3 86.8 -46.6 -35.9 33.7 -17.2 7.2 469 39 D R H <4 S+ 0 0 61 -3,-2.2 -1,-0.2 1,-0.3 3,-0.1 0.658 101.1 38.8 -49.5 -25.8 35.6 -17.0 10.3 470 40 D F H << S+ 0 0 48 -3,-1.1 2,-1.4 -4,-0.6 -1,-0.3 0.787 94.5 74.7 -84.5 -53.2 32.7 -18.5 11.8 471 41 D F X< + 0 0 39 -4,-0.7 3,-0.7 -3,-0.6 4,-0.3 -0.299 65.4 139.7 -73.2 75.9 31.5 -21.2 9.2 472 42 D Q T 3 + 0 0 136 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.778 48.9 74.5-108.9 -7.2 34.6 -23.6 10.2 473 43 D H T 3 S+ 0 0 126 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.619 94.9 64.6 -2.1 -67.8 33.3 -26.6 10.3 474 44 D F S < S- 0 0 20 -3,-0.7 2,-0.6 1,-0.1 -2,-0.2 0.864 71.4-148.5 -49.0 -80.5 33.3 -26.4 6.8 475 45 D G + 0 0 47 -4,-0.3 2,-0.6 11,-0.1 3,-0.1 -0.902 60.0 50.0 147.2-120.3 36.5 -26.1 3.9 476 46 D N + 0 0 87 -2,-0.6 10,-0.2 6,-0.2 3,-0.1 -0.459 43.6 140.8 -50.2 90.4 37.1 -24.6 0.5 477 47 D L + 0 0 17 -2,-0.6 2,-1.4 1,-0.1 6,-0.2 0.176 37.1 118.5-127.9 28.6 36.0 -21.3 0.8 478 48 D S S S+ 0 0 107 4,-0.2 2,-0.2 -3,-0.1 3,-0.1 -0.207 75.6 19.3 -73.5 34.4 39.1 -20.4 -1.4 479 49 D S S > S- 0 0 66 -2,-1.4 3,-0.6 1,-0.2 4,-0.4 -0.392 82.0-110.9 136.2 129.5 37.4 -18.8 -4.6 480 50 D A T >> S+ 0 0 33 1,-0.2 3,-1.0 -2,-0.2 4,-0.6 0.635 117.9 78.6 -46.5 -39.3 33.7 -17.3 -4.9 481 51 D G H 3> S+ 0 0 47 2,-0.3 4,-2.1 1,-0.3 3,-0.3 0.702 106.3 12.9 150.3 -92.7 33.8 -20.7 -7.0 482 52 D A H <> S+ 0 0 24 -3,-0.6 4,-1.2 2,-0.3 -1,-0.3 0.621 107.2 74.4-123.7 39.6 33.5 -23.3 -4.3 483 53 D V H <4 S+ 0 0 2 -3,-1.0 -2,-0.3 -4,-0.4 -1,-0.3 0.475 109.1 46.5 -98.1 -40.1 32.6 -21.4 -1.5 484 54 D M H < S+ 0 0 49 -4,-0.6 6,-0.7 -5,-0.3 -2,-0.3 0.989 113.1 48.4 -80.8 -48.6 29.6 -21.9 -4.1 485 55 D N H < S+ 0 0 101 -4,-2.1 5,-0.5 1,-0.1 -2,-0.2 0.957 80.5 130.8 -58.5 -60.8 30.4 -25.5 -4.4 486 56 D N >< - 0 0 10 -4,-1.2 3,-0.7 -5,-0.2 -1,-0.1 0.249 40.6-167.6 19.4 67.3 30.5 -26.1 -0.9 487 57 D P T 3> S+ 0 0 79 0, 0.0 4,-0.9 0, 0.0 5,-0.4 0.778 96.1 51.9 -44.3 -50.3 28.6 -29.0 0.0 488 58 D K H 3> S+ 0 0 100 2,-0.2 4,-1.7 -14,-0.2 5,-0.1 0.931 117.7 38.3 -24.8 -78.1 29.0 -28.0 3.6 489 59 D V H <> S+ 0 0 0 -3,-0.7 4,-0.5 1,-0.2 -3,-0.2 0.719 113.1 58.5 -49.4 -88.6 27.7 -24.2 2.7 490 60 D K H >> S+ 0 0 99 -6,-0.7 3,-2.5 -5,-0.5 4,-1.5 0.615 111.7 40.0 -16.0 -73.0 25.0 -25.7 0.1 491 61 D A H 3X S+ 0 0 62 -4,-0.9 4,-1.4 1,-0.3 -1,-0.2 0.931 116.0 49.3 -22.3 -77.5 23.2 -27.9 3.0 492 62 D H H 3X S+ 0 0 72 -4,-1.7 4,-0.8 -5,-0.4 -1,-0.3 0.947 101.1 62.0 -43.4 -22.6 23.5 -25.3 5.5 493 63 D G H XX S+ 0 0 0 -3,-2.5 4,-2.5 -4,-0.5 3,-1.0 0.981 108.7 50.4 -78.5 -50.5 22.0 -22.6 3.0 494 64 D K H 3X S+ 0 0 63 -4,-1.5 4,-1.9 1,-0.3 5,-0.3 0.890 109.5 43.2 -37.9 -82.6 18.8 -25.0 3.1 495 65 D R H 3< S+ 0 0 188 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.576 112.9 52.4 -63.5 -9.6 18.3 -25.4 6.8 496 66 D V H X S+ 0 0 5 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.975 114.1 55.5 -63.0 -42.0 16.3 -21.0 4.9 498 68 D D H 3< S+ 0 0 38 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.623 105.9 58.3 -55.9 -43.6 14.4 -23.8 6.0 499 69 D A H 34 S+ 0 0 26 -5,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.931 114.8 26.4 -61.1 -55.5 14.6 -22.2 9.6 500 70 D F H X< S+ 0 0 29 -4,-2.1 3,-3.1 -3,-0.6 -2,-0.3 0.574 108.1 73.6 -91.6 -47.3 13.2 -19.2 9.2 501 71 D T T 3< S+ 0 0 14 1,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 -0.907 94.5 50.7 83.5 50.9 11.2 -19.8 6.6 502 72 D Q T > S+ 0 0 81 -3,-0.1 3,-1.7 -5,-0.1 -1,-0.9 0.512 94.2 71.3 133.9-102.4 9.1 -21.4 8.1 503 73 D G T < S+ 0 0 4 -3,-3.1 -2,-0.2 -4,-0.4 -3,-0.1 0.301 83.9 73.7 2.5 -62.2 9.1 -18.6 10.6 504 74 D L T 3 S+ 0 0 11 1,-0.3 3,-0.4 2,-0.1 -1,-0.4 0.566 87.4 76.4 -57.7 -41.6 7.1 -16.6 7.5 505 75 D K S < S+ 0 0 158 -3,-1.7 2,-0.8 1,-0.2 -1,-0.3 0.925 111.1 4.7 -37.4-112.9 4.5 -19.1 9.0 506 76 D H + 0 0 54 1,-0.1 3,-0.5 3,-0.1 -1,-0.2 -0.827 57.9 172.4 -94.4 113.0 3.5 -17.1 12.5 507 77 D L > + 0 0 26 -2,-0.8 3,-1.8 -3,-0.4 4,-0.2 0.578 57.5 99.3 -76.2 -36.5 5.2 -13.6 12.7 508 78 D D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.921 102.8 10.9 143.2 -64.1 2.9 -12.9 16.0 509 79 D D T >> S+ 0 0 81 -3,-0.5 3,-2.5 1,-0.1 4,-1.0 -0.423 73.4 162.9-140.6 59.3 5.6 -13.7 18.2 510 80 D L H <> S+ 0 0 37 -3,-1.8 4,-1.1 1,-0.2 5,-0.2 0.564 76.2 65.8 -46.0 -46.4 8.8 -13.9 16.3 511 81 D K H 34 S+ 0 0 123 -4,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.286 105.0 50.8 -46.3 -20.4 11.0 -13.6 19.4 512 82 D G H X> S+ 0 0 31 -3,-2.5 3,-3.5 3,-0.1 4,-0.8 0.808 101.2 57.0 -55.5 -93.0 9.4 -17.1 20.3 513 83 D A H 3< S+ 0 0 25 -4,-1.0 3,-0.2 1,-0.3 -2,-0.2 0.579 123.0 19.5 -35.8 -62.2 10.0 -18.9 17.3 514 84 D F T >X S+ 0 0 9 -4,-1.1 4,-4.1 1,-0.2 3,-2.7 0.223 85.4 107.7-122.0 37.6 13.9 -18.5 17.2 515 85 D A T <4 S+ 0 0 34 -3,-3.5 -1,-0.2 2,-0.3 -2,-0.1 0.927 83.6 65.5 -60.9 -36.2 14.9 -17.5 21.1 516 86 D Q T 3< S+ 0 0 171 -4,-0.8 -1,-0.2 -3,-0.2 4,-0.2 0.781 103.6 35.8 -31.4 -42.5 16.0 -20.9 20.6 517 87 D L T <> S+ 0 0 55 -3,-2.7 4,-1.2 2,-0.2 -2,-0.3 0.347 105.7 66.5-116.1 -17.9 18.4 -19.9 18.2 518 88 D S T < S+ 0 0 0 -4,-4.1 56,-0.3 1,-0.2 4,-0.2 0.204 96.3 62.7 -82.3 57.2 19.4 -16.4 19.9 519 89 D G T > S+ 0 0 23 -5,-0.3 4,-3.6 3,-0.1 3,-0.3 0.754 109.4 38.2-123.4 -65.8 20.8 -18.6 22.5 520 90 D L H > S+ 0 0 59 2,-0.3 4,-1.2 1,-0.3 5,-0.4 0.233 116.8 46.6 -82.2 -38.3 23.3 -20.2 19.9 521 91 D H H <>S+ 0 0 40 -4,-1.2 5,-1.2 3,-0.3 4,-0.4 0.772 125.6 36.0 -87.4 -51.0 24.3 -17.0 17.8 522 92 D C H 45S+ 0 0 7 -3,-0.3 -2,-0.3 -4,-0.2 -3,-0.1 0.753 131.0 27.8 -61.6 -82.0 24.7 -15.3 21.0 523 93 D N H <5S+ 0 0 140 -4,-3.6 -3,-0.2 2,-0.1 -2,-0.2 0.766 125.7 46.2 -57.8 -45.5 26.2 -18.3 23.3 524 94 D K T <5S- 0 0 136 -4,-1.2 -3,-0.3 1,-0.1 -2,-0.2 0.950 133.2 -2.9 -87.6 -70.0 27.8 -20.1 20.5 525 95 D L T 5S- 0 0 46 -4,-0.4 -3,-0.2 -5,-0.4 -4,-0.2 0.736 86.3-130.5 -88.7 -6.1 29.5 -18.6 18.3 526 96 D H < - 0 0 75 -5,-1.2 2,-0.6 1,-0.1 -4,-0.2 0.775 37.5-170.9 79.5 90.3 28.9 -14.8 19.7 527 97 D V - 0 0 7 -57,-0.0 -1,-0.1 3,-0.0 5,-0.1 -0.962 26.6-109.4-106.1 116.3 27.9 -13.2 16.4 528 98 D N >> - 0 0 21 -2,-0.6 3,-2.8 1,-0.1 4,-0.5 -0.456 18.2-132.4 -37.7 114.2 27.5 -9.6 15.9 529 99 D P H >> S+ 0 0 40 0, 0.0 3,-3.3 0, 0.0 4,-0.6 0.963 106.0 75.3 -24.0 -41.1 23.6 -8.4 15.4 530 100 D Q H >> S+ 0 0 101 1,-0.3 3,-1.3 2,-0.3 4,-0.6 0.840 87.3 53.8 -65.4 -58.0 25.1 -6.6 12.6 531 101 D N H <> S+ 0 0 10 -3,-2.8 4,-1.6 1,-0.3 -1,-0.3 0.816 91.3 73.9 -51.5 -26.3 25.3 -9.8 10.7 532 102 D F H < S+ 0 0 12 -4,-1.5 3,-1.6 -3,-0.4 -2,-0.3 0.983 106.6 54.3 -72.9 -75.5 18.5 -12.6 1.2 540 110 D A H >X S+ 0 0 2 -4,-1.3 4,-4.8 1,-0.3 3,-0.8 0.503 120.8 44.5 -18.4 -52.2 16.2 -9.1 -0.3 541 111 D L T 3< S+ 0 0 0 -4,-0.7 4,-0.3 2,-0.3 -1,-0.3 0.588 110.3 42.9 -88.0 -52.5 19.0 -9.6 -3.3 542 112 D V T <4 S+ 0 0 0 -3,-1.6 4,-0.3 -4,-0.5 -1,-0.3 0.032 117.3 51.6 -78.4 -20.6 19.1 -13.2 -4.0 543 113 D V T <> S+ 0 0 1 -3,-0.8 4,-1.7 -4,-0.2 5,-0.4 0.634 112.8 52.9 -84.8 -63.9 14.9 -13.0 -3.7 544 114 D A H X S+ 0 0 0 -4,-4.8 4,-0.8 3,-0.2 -2,-0.3 0.644 111.4 39.6 -70.1 14.1 15.5 -10.1 -6.2 545 115 D R H 4 S+ 0 0 56 -4,-0.3 -1,-0.2 2,-0.2 -3,-0.2 0.715 115.8 49.3 -97.7 -55.0 17.6 -12.0 -8.6 546 116 D N H 4 S+ 0 0 66 -4,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.876 124.3 29.5 -12.3 -67.6 15.5 -15.3 -8.5 547 117 D F H >< S- 0 0 26 -4,-1.7 3,-1.1 1,-0.1 2,-0.7 0.633 83.6-177.4-113.5 5.2 12.1 -13.4 -9.0 548 118 D G G >< S+ 0 0 17 -4,-0.8 3,-1.2 -5,-0.4 -149,-0.2 -0.268 72.3 2.7 82.8-147.4 12.7 -10.3 -11.0 549 119 D G G > S+ 0 0 65 -2,-0.7 3,-0.5 -150,-0.2 -1,-0.2 0.768 121.2 77.7 -73.8 -42.0 10.0 -7.7 -11.9 550 120 D Q G < S+ 0 0 149 -3,-1.1 2,-0.7 1,-0.2 -1,-0.2 0.925 85.3 78.5 -41.4 -35.3 8.0 -10.3 -9.6 551 121 D F G < S- 0 0 0 -3,-1.2 5,-0.3 -7,-0.2 -1,-0.2 -0.313 76.6-168.9 -79.4 50.3 10.0 -8.3 -7.0 552 122 D T <> - 0 0 49 -2,-0.7 4,-2.5 -3,-0.5 5,-0.4 0.418 47.3-117.0 -41.3 172.3 8.4 -4.9 -6.3 553 123 D P H > S+ 0 0 29 0, 0.0 4,-1.8 0, 0.0 -230,-0.1 0.962 135.1 40.0 -58.3 -42.9 9.0 -1.9 -4.7 554 124 D N H > S+ 0 0 103 3,-0.2 4,-2.2 2,-0.2 -2,-0.1 0.811 118.0 47.9 -52.5 -97.8 6.0 -3.2 -2.7 555 125 D V H > S+ 0 0 15 2,-0.3 4,-3.4 1,-0.2 5,-0.5 0.833 118.7 45.9 -40.4 -49.0 7.5 -7.4 -2.7 556 126 D Q H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.964 111.9 42.7 -71.6 -51.3 10.9 -5.9 -1.6 557 127 D A H >X S+ 0 0 21 -4,-1.8 4,-1.1 -5,-0.4 3,-0.7 0.893 114.0 53.4 -76.1 -70.8 10.0 -3.5 1.2 558 128 D L H >< S+ 0 0 14 -4,-2.2 3,-1.3 2,-0.2 -2,-0.2 0.597 122.8 34.5 -26.7 -74.6 7.2 -6.4 2.8 559 129 D F H >X S+ 0 0 10 -4,-3.4 3,-1.2 1,-0.2 4,-1.0 0.633 106.5 67.9 -46.6 -32.8 10.4 -8.7 2.6 560 130 D Q H << S+ 0 0 2 -4,-2.1 4,-0.2 -3,-0.7 -1,-0.2 0.895 105.4 45.9 -55.8 -35.9 12.8 -5.7 3.5 561 131 D K T S+ 0 0 27 -3,-1.2 4,-4.6 1,-0.2 -2,-0.2 0.893 104.2 48.2 -69.6 -31.2 11.1 -9.8 7.8 563 133 D V H X S+ 0 0 7 -4,-1.0 4,-1.7 3,-0.2 -1,-0.2 0.426 103.9 56.4 -46.3 -44.9 14.7 -9.4 8.0 564 134 D A H >4 S+ 0 0 35 -3,-0.4 3,-0.9 2,-0.3 -2,-0.2 0.910 118.9 32.7 -73.7 -98.6 14.5 -6.5 10.3 565 135 D G H 3X S+ 0 0 31 -4,-1.2 4,-2.3 1,-0.4 3,-0.5 0.800 116.9 60.1 -54.3 -36.2 12.2 -8.7 13.0 566 136 D V H 3X S+ 0 0 6 -4,-4.6 4,-1.9 2,-0.3 -1,-0.4 0.619 114.7 26.1 -79.1 -35.7 13.9 -11.7 12.1 567 137 D A H << S+ 0 0 15 -4,-1.7 -1,-0.2 -3,-0.9 -2,-0.1 -0.301 123.4 55.9-132.8 65.0 17.6 -11.0 13.0 568 138 D N H >> S+ 0 0 102 -3,-0.5 3,-1.7 -36,-0.1 4,-1.2 0.393 102.9 50.8-120.7 -58.7 16.3 -8.4 15.6 569 139 D A H >< S+ 0 0 17 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.580 107.4 57.9 -19.4 -60.2 14.4 -11.2 17.0 570 140 D L T 3< S+ 0 0 15 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.590 102.1 49.1 -43.3 -55.7 18.2 -12.7 16.7 571 141 D A T <4 S+ 0 0 28 -3,-1.7 2,-2.9 2,-0.2 -1,-0.3 0.541 87.9 120.3 -72.4 -11.8 19.9 -9.7 19.1 572 142 D H S << S- 0 0 130 -4,-1.2 -54,-0.1 -3,-1.0 -4,-0.1 -0.757 90.8 -20.9-102.3 98.8 16.7 -10.7 21.5 573 143 D K S S+ 0 0 116 -2,-2.9 -1,-0.4 -54,-0.0 -2,-0.2 -0.961 94.3 114.9 174.4 -65.9 18.8 -11.5 23.8 574 144 D Y 0 0 25 -56,-0.3 -51,-0.1 1,-0.2 -52,-0.1 -0.161 360.0 360.0 -7.4 -84.3 22.1 -12.3 23.7 575 145 D H 0 0 155 -53,-0.0 -1,-0.2 -49,-0.0 -4,-0.0 -0.094 360.0 360.0 29.0 360.0 25.1 -10.5 25.1