==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-FEB-12 4DLP . COMPND 2 MOLECULE: AMINOACYL-TRNA SYNTHETASE, CLASS I:AMINOACYL-TRNA . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS 230 . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1428 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 608 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.4 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 6 0 3 6 2 7 9 3 0 3 0 3 0 3 3 0 0 9 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 4 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 . 7 7 1 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 1 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 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 3 A R 0 0 117 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 119.2 16.1 -18.6 41.2 2 4 A E - 0 0 131 37,-0.2 39,-3.0 1,-0.1 2,-0.2 -0.250 360.0-120.9 -62.5 137.6 14.4 -15.7 43.1 3 5 A K E -a 41 0A 80 37,-0.2 2,-0.4 246,-0.1 39,-0.2 -0.581 26.7-173.2 -88.0 140.0 10.7 -16.3 44.0 4 6 A Y E -a 42 0A 27 37,-3.0 39,-2.4 -2,-0.2 2,-0.5 -0.956 2.1-171.8-139.1 117.6 7.8 -14.1 42.8 5 7 A Y E +a 43 0A 0 -2,-0.4 249,-2.5 247,-0.3 250,-1.3 -0.942 8.8 174.6-115.2 123.5 4.2 -14.4 44.0 6 8 A I E -ab 44 255A 0 37,-2.3 39,-2.1 -2,-0.5 2,-0.3 -0.974 4.7-173.9-130.5 143.4 1.4 -12.4 42.3 7 9 A T E -ab 45 256A 0 248,-1.8 250,-2.7 -2,-0.3 2,-0.3 -0.930 16.1-143.8-132.9 151.2 -2.3 -12.5 42.9 8 10 A T E - b 0 257A 3 37,-1.5 250,-0.2 -2,-0.3 2,-0.1 -0.743 41.6 -93.0 -98.2 160.8 -5.6 -11.0 41.5 9 11 A A - 0 0 9 248,-0.7 2,-0.6 -2,-0.3 38,-0.4 -0.418 43.7-117.7 -58.0 151.1 -8.6 -10.1 43.6 10 12 A I - 0 0 0 36,-0.1 38,-0.2 38,-0.1 2,-0.1 -0.878 32.2-133.7 -99.0 118.4 -11.0 -13.0 43.8 11 13 A A B -c 48 0A 10 36,-1.0 38,-2.4 -2,-0.6 66,-0.0 -0.385 13.4-114.1 -75.6 145.9 -14.3 -12.0 42.2 12 14 A Y - 0 0 27 1423,-1.1 2,-0.6 36,-0.2 3,-0.3 -0.683 25.5-149.2 -66.7 125.8 -17.7 -12.6 43.7 13 15 A P + 0 0 0 0, 0.0 60,-0.2 0, 0.0 -1,-0.1 -0.319 56.8 125.7 -96.8 49.9 -19.2 -15.0 41.2 14 16 A N S S+ 0 0 60 -2,-0.6 2,-0.2 2,-0.1 56,-0.0 0.493 80.0 4.6 -89.1 -2.2 -22.8 -13.8 41.7 15 17 A G S S- 0 0 27 -3,-0.3 3,-0.0 1,-0.1 43,-0.0 -0.558 103.0 -49.4-141.6-144.4 -23.3 -13.2 38.0 16 18 A K - 0 0 63 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.650 69.0 -85.3 -93.6 155.3 -21.5 -13.6 34.7 17 19 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 281,-0.2 -0.417 47.1-158.6 -59.3 136.6 -17.9 -12.5 34.2 18 20 A H > - 0 0 102 278,-0.1 4,-1.6 -2,-0.1 3,-0.3 -0.612 32.8-100.0-114.3 171.3 -17.5 -8.8 33.2 19 21 A I H > S+ 0 0 13 276,-0.7 4,-3.2 1,-0.2 5,-0.2 0.783 117.9 64.6 -67.5 -27.8 -14.7 -6.9 31.5 20 22 A G H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 105.8 45.3 -55.6 -48.1 -13.4 -5.6 34.8 21 23 A H H > S+ 0 0 56 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.887 113.7 49.3 -62.7 -40.8 -12.6 -9.2 35.8 22 24 A A H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.931 110.7 50.8 -65.2 -44.2 -11.0 -9.9 32.4 23 25 A Y H X S+ 0 0 2 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.925 110.9 47.3 -57.4 -52.0 -8.9 -6.7 32.6 24 26 A E H X S+ 0 0 24 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.889 113.5 48.5 -59.1 -41.3 -7.5 -7.5 36.0 25 27 A L H X S+ 0 0 6 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.918 111.1 49.2 -70.6 -41.2 -6.7 -11.0 34.9 26 28 A I H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.940 112.9 46.9 -62.0 -46.0 -5.0 -10.0 31.7 27 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.921 114.4 46.6 -65.2 -40.7 -2.8 -7.4 33.4 28 30 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.919 111.9 52.2 -69.2 -39.9 -1.9 -9.8 36.2 29 31 A D H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.929 108.0 51.0 -59.1 -45.6 -1.1 -12.5 33.7 30 32 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.942 111.7 47.6 -57.3 -46.9 1.1 -10.2 31.7 31 33 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.4 49.3 -64.5 -39.8 3.0 -9.3 34.9 32 34 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.907 113.3 45.3 -63.7 -44.8 3.4 -12.9 35.9 33 35 A R H X S+ 0 0 49 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.915 108.5 57.9 -68.4 -38.8 4.7 -14.0 32.5 34 36 A F H X S+ 0 0 2 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.948 107.8 46.1 -55.7 -51.9 7.0 -11.1 32.4 35 37 A Q H <>S+ 0 0 11 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.873 109.1 55.3 -63.2 -35.8 8.7 -12.2 35.6 36 38 A R H ><5S+ 0 0 63 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.978 110.8 44.7 -56.0 -51.4 8.9 -15.8 34.4 37 39 A L H 3<5S+ 0 0 21 -4,-2.4 433,-2.1 1,-0.3 434,-0.5 0.729 106.1 62.5 -65.1 -24.1 10.8 -14.7 31.2 38 40 A N T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.325 127.0-100.1 -84.5 6.4 12.9 -12.5 33.4 39 41 A G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 1,-0.2 -37,-0.2 0.553 75.7 137.8 90.5 13.9 14.1 -15.6 35.2 40 42 A M < - 0 0 42 -5,-2.5 2,-0.9 -39,-0.1 -1,-0.2 -0.481 59.5-118.1 -88.9 161.0 12.0 -15.7 38.4 41 43 A D E -a 3 0A 52 -39,-3.0 -37,-3.0 -2,-0.1 2,-0.4 -0.853 46.6-162.5 -95.5 105.9 10.2 -18.6 40.1 42 44 A V E -a 4 0A 9 -2,-0.9 2,-0.4 -39,-0.2 -37,-0.2 -0.726 26.5-173.8-104.7 136.1 6.7 -17.5 39.8 43 45 A Y E -a 5 0A 24 -39,-2.4 -37,-2.3 -2,-0.4 2,-0.5 -0.998 14.2-171.4-120.4 126.3 3.4 -18.4 41.5 44 46 A F E -a 6 0A 0 -2,-0.4 45,-2.2 43,-0.2 46,-1.0 -0.970 3.4-172.8-128.1 118.7 0.3 -16.8 40.1 45 47 A L E +ad 7 90A 0 -39,-2.1 -37,-1.5 -2,-0.5 2,-0.3 -0.836 15.7 153.8-112.6 141.7 -3.1 -17.0 41.8 46 48 A T E + d 0 91A 12 44,-0.8 46,-2.2 -2,-0.3 2,-0.3 -0.877 17.7 132.3-144.9-175.9 -6.6 -16.0 40.9 47 49 A G E - d 0 92A 3 -38,-0.4 -36,-1.0 -2,-0.3 2,-0.3 -0.990 45.5 -65.9 164.3-164.7 -10.0 -17.5 42.1 48 50 A T E -cd 11 93A 0 44,-2.6 46,-1.8 -2,-0.3 2,-0.7 -0.967 19.5-141.0-132.0 146.6 -13.4 -16.7 43.4 49 51 A D + 0 0 0 -38,-2.4 44,-0.1 -2,-0.3 181,-0.0 -0.889 28.6 170.6-101.1 105.9 -14.9 -15.3 46.6 50 52 A E + 0 0 0 -2,-0.7 -1,-0.1 -38,-0.2 20,-0.1 0.631 47.2 72.3-105.3 -13.8 -18.1 -17.4 47.2 51 53 A H + 0 0 13 175,-0.1 4,-0.2 4,-0.1 162,-0.2 -0.101 59.2 92.1 -85.8-173.2 -19.3 -16.4 50.7 52 54 A G S > S- 0 0 1 160,-1.1 4,-1.7 2,-0.1 3,-0.3 -0.087 80.2 -88.9 107.9 155.8 -21.0 -13.2 51.7 53 55 A I H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.788 122.5 61.3 -69.4 -31.1 -24.5 -11.6 52.1 54 56 A K H > S+ 0 0 45 74,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.820 107.1 45.0 -66.7 -31.7 -24.3 -10.4 48.4 55 57 A M H > S+ 0 0 0 -3,-0.3 4,-2.3 -4,-0.2 -2,-0.2 0.882 111.1 54.0 -75.6 -38.7 -24.0 -14.1 47.4 56 58 A L H X S+ 0 0 26 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.931 110.3 45.7 -58.2 -47.9 -26.8 -15.1 49.7 57 59 A Q H X S+ 0 0 60 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.817 111.2 51.6 -69.2 -32.3 -29.2 -12.5 48.3 58 60 A S H X S+ 0 0 28 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.3 51.6 -69.5 -38.3 -28.4 -13.4 44.7 59 61 A A H X>S+ 0 0 1 -4,-2.3 5,-2.3 1,-0.2 4,-0.5 0.901 109.3 50.0 -62.2 -43.2 -29.1 -17.1 45.6 60 62 A R H ><5S+ 0 0 164 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.951 107.3 52.7 -62.7 -50.2 -32.4 -16.1 47.1 61 63 A K H 3<5S+ 0 0 193 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.953 114.0 43.1 -50.1 -53.3 -33.5 -14.1 44.0 62 64 A E H 3<5S- 0 0 101 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.539 113.0-124.1 -68.4 -8.1 -32.7 -17.1 41.8 63 65 A G T <<5S+ 0 0 65 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.850 73.4 103.9 65.4 35.6 -34.4 -19.5 44.3 64 66 A I S - 0 0 82 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.611 34.8-118.5 -84.1 151.5 -28.8 -22.2 47.5 66 68 A P H > S+ 0 0 19 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.843 117.4 52.5 -57.9 -32.9 -25.6 -20.1 47.6 67 69 A R H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 108.7 50.5 -64.7 -40.6 -23.5 -23.3 47.1 68 70 A D H > S+ 0 0 78 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.964 114.7 43.5 -59.7 -52.5 -25.6 -24.2 44.1 69 71 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.879 113.4 50.7 -61.5 -46.8 -25.1 -20.6 42.7 70 72 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.952 111.4 48.0 -55.6 -52.6 -21.4 -20.6 43.5 71 73 A D H X S+ 0 0 61 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.908 116.2 44.3 -55.0 -42.9 -20.8 -23.9 41.8 72 74 A R H >< S+ 0 0 119 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.972 117.6 40.0 -69.9 -54.6 -22.8 -22.9 38.7 73 75 A N H >X S+ 0 0 17 -4,-2.6 4,-1.1 1,-0.2 3,-0.7 0.730 104.2 68.6 -68.9 -26.2 -21.4 -19.4 38.1 74 76 A T H 3X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.860 89.0 63.9 -64.9 -34.6 -17.8 -20.3 39.0 75 77 A S H S+ 0 0 25 -3,-0.7 4,-2.1 -4,-0.5 -1,-0.2 0.888 107.7 49.6 -69.4 -40.4 -17.9 -19.3 33.8 77 79 A F H X S+ 0 0 8 -4,-1.1 4,-1.9 -3,-0.2 -2,-0.2 0.902 111.9 48.3 -65.3 -40.2 -15.1 -17.6 35.6 78 80 A R H X S+ 0 0 71 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.899 110.8 50.5 -65.7 -39.8 -12.8 -20.6 35.1 79 81 A R H X S+ 0 0 141 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.864 106.0 56.8 -65.4 -34.3 -13.7 -20.7 31.4 80 82 A M H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.947 104.4 52.8 -61.8 -44.1 -12.9 -17.0 31.3 81 83 A A H <>S+ 0 0 9 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.918 110.1 46.9 -57.2 -44.7 -9.4 -17.8 32.6 82 84 A E H ><5S+ 0 0 79 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.946 112.8 49.6 -64.5 -42.7 -8.9 -20.4 29.8 83 85 A V H 3<5S+ 0 0 52 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.851 109.0 50.8 -67.2 -35.5 -10.2 -18.0 27.1 84 86 A L T 3<5S- 0 0 1 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.363 114.5-117.7 -80.6 6.0 -7.9 -15.1 28.2 85 87 A N T < 5 - 0 0 46 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.928 44.7-173.5 56.1 50.3 -4.9 -17.5 28.1 86 88 A S < - 0 0 20 -5,-2.3 -1,-0.2 -6,-0.1 -60,-0.1 -0.597 21.7-157.2 -80.4 133.4 -4.2 -17.1 31.9 87 89 A S + 0 0 24 -2,-0.3 -43,-0.2 2,-0.0 -1,-0.1 0.084 36.2 151.8 -98.5 21.2 -1.0 -18.7 33.2 88 90 A N - 0 0 37 1,-0.1 -43,-0.2 -45,-0.1 3,-0.1 -0.269 40.7-147.7 -57.4 141.4 -2.2 -19.0 36.8 89 91 A D S S+ 0 0 77 -45,-2.2 2,-0.3 1,-0.1 -44,-0.2 0.539 77.1 11.3 -88.4 -14.9 -0.7 -21.8 38.7 90 92 A D E -d 45 0A 34 -46,-1.0 -44,-0.8 2,-0.0 2,-0.4 -0.949 62.9-140.5-157.6 163.4 -3.7 -22.5 41.0 91 93 A Y E -d 46 0A 14 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.3 -0.986 20.4-154.0-136.1 119.7 -7.3 -21.5 41.2 92 94 A I E -d 47 0A 0 -46,-2.2 -44,-2.6 -2,-0.4 2,-0.4 -0.783 12.4-175.7-103.4 136.8 -8.8 -20.8 44.6 93 95 A R E > -d 48 0A 35 -2,-0.4 3,-2.1 -46,-0.2 6,-0.3 -0.998 24.9-140.2-125.0 128.3 -12.5 -21.1 45.6 94 96 A T T 3 S+ 0 0 1 -46,-1.8 -45,-0.1 -2,-0.4 -2,-0.0 0.465 97.1 69.8 -75.0 3.7 -13.3 -20.0 49.1 95 97 A S T 3 S+ 0 0 25 4,-0.1 -1,-0.3 -44,-0.0 -46,-0.0 0.543 77.0 110.1 -86.9 -11.7 -15.8 -22.9 49.5 96 98 A E S <> S- 0 0 54 -3,-2.1 4,-1.3 1,-0.1 3,-0.5 -0.262 77.6-124.3 -64.0 150.8 -12.8 -25.4 49.6 97 99 A E H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.888 109.2 62.2 -65.8 -36.8 -11.9 -27.2 52.8 98 100 A R H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 106.9 46.6 -53.4 -35.8 -8.3 -25.9 52.7 99 101 A H H > S+ 0 0 0 -3,-0.5 4,-3.0 -6,-0.3 5,-0.3 0.825 106.6 55.4 -76.0 -37.3 -9.7 -22.3 53.0 100 102 A Y H X S+ 0 0 79 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.930 113.4 42.5 -60.0 -44.2 -12.1 -23.1 55.8 101 103 A K H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 114.6 51.6 -71.5 -43.5 -9.1 -24.4 57.8 102 104 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.922 110.9 47.3 -53.3 -52.0 -6.9 -21.5 56.7 103 105 A S H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.905 112.8 48.3 -65.2 -40.9 -9.4 -18.9 57.7 104 106 A Q H X S+ 0 0 45 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.842 111.9 51.5 -67.9 -28.9 -10.0 -20.5 61.1 105 107 A A H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.960 109.6 46.7 -71.5 -48.2 -6.2 -20.7 61.6 106 108 A I H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.895 112.5 53.6 -63.2 -34.9 -5.6 -17.0 60.9 107 109 A W H X S+ 0 0 3 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 108.7 46.8 -60.2 -47.5 -8.5 -16.2 63.2 108 110 A Q H X S+ 0 0 102 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.858 107.9 57.5 -64.5 -33.7 -7.0 -18.2 66.0 109 111 A A H X S+ 0 0 25 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.907 107.8 47.0 -64.8 -39.3 -3.7 -16.6 65.4 110 112 A M H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 6,-0.3 0.861 111.3 50.7 -72.1 -33.9 -5.3 -13.1 66.0 111 113 A V H ><5S+ 0 0 62 -4,-1.9 3,-2.2 1,-0.2 5,-0.3 0.954 107.8 53.7 -66.0 -46.2 -7.1 -14.3 69.1 112 114 A A H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 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-5.3 9.0 346 360 A A H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.956 115.3 46.6 -62.0 -49.7 7.5 -9.0 9.7 347 361 A Q H X S+ 0 0 46 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.926 114.6 44.4 -63.6 -47.5 5.7 -10.0 6.5 348 362 A R H X S+ 0 0 84 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.944 119.0 41.9 -61.5 -50.3 7.5 -7.7 4.1 349 363 A S H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.858 116.5 46.6 -65.8 -41.9 11.0 -8.4 5.5 350 364 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.822 110.7 52.5 -77.2 -27.4 10.6 -12.2 5.9 351 365 A S H X S+ 0 0 49 -4,-1.9 4,-3.2 -5,-0.3 5,-0.3 0.887 106.7 53.9 -72.8 -36.1 9.1 -12.5 2.4 352 366 A M H X S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.905 110.4 46.8 -61.8 -39.1 12.1 -10.7 1.0 353 367 A I H X S+ 0 0 1 -4,-1.6 4,-1.7 3,-0.2 6,-1.6 0.907 114.4 48.6 -65.3 -40.7 14.3 -13.3 2.8 354 368 A A H < S+ 0 0 45 -4,-2.2 4,-0.3 4,-0.2 -2,-0.2 0.928 121.1 34.2 -62.4 -47.0 12.0 -16.0 1.4 355 369 A K H < S+ 0 0 93 -4,-3.2 3,-0.3 1,-0.1 -2,-0.2 0.930 131.5 27.8 -77.4 -46.0 12.1 -14.7 -2.2 356 370 A N H < S+ 0 0 52 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.527 124.2 40.3-102.1 -6.6 15.6 -13.3 -2.4 357 371 A C S >< S- 0 0 18 -4,-1.7 3,-1.9 -5,-0.3 -1,-0.2 0.094 105.5-105.8-133.2 29.1 17.8 -15.4 0.1 358 372 A E T 3 S- 0 0 171 -4,-0.3 -4,-0.2 -3,-0.3 -3,-0.1 0.775 72.9 -68.8 53.8 31.4 16.5 -19.0 -0.3 359 373 A G T 3 S+ 0 0 14 -6,-1.6 125,-2.4 1,-0.2 2,-0.4 0.772 106.0 126.2 58.4 29.4 14.7 -18.7 3.0 360 374 A K B < S-O 483 0F 21 -3,-1.9 -1,-0.2 -7,-0.5 123,-0.2 -0.918 72.5-104.0-114.6 141.6 17.9 -18.6 4.9 361 375 A V - 0 0 2 121,-2.3 120,-3.4 -2,-0.4 121,-0.1 -0.497 48.5-117.7 -59.8 123.6 18.9 -15.9 7.4 362 376 A P - 0 0 15 0, 0.0 120,-0.1 0, 0.0 -1,-0.1 -0.373 20.6-108.2 -70.4 148.2 21.4 -13.7 5.5 363 377 A Q - 0 0 139 117,-0.1 67,-0.2 116,-0.1 2,-0.2 -0.642 38.1-138.8 -71.1 114.0 25.0 -13.3 6.6 364 378 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 63,-0.1 -0.511 16.4-163.3 -78.5 144.0 25.4 -9.8 7.9 365 379 A G - 0 0 45 1,-0.3 62,-0.0 61,-0.2 2,-0.0 0.061 54.2 -21.9 -93.5-153.1 28.4 -7.6 7.2 366 380 A A - 0 0 93 1,-0.1 2,-0.4 -2,-0.1 -1,-0.3 -0.345 68.6-125.3 -55.5 135.4 29.6 -4.5 8.9 367 381 A F - 0 0 95 -3,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.724 23.2-141.5 -82.5 135.9 26.8 -2.7 10.8 368 382 A S > - 0 0 43 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.299 31.7 -94.2 -83.8 176.6 26.4 0.9 9.8 369 383 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.903 128.6 47.9 -58.6 -43.2 25.5 3.8 12.2 370 384 A A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 110.6 52.1 -70.8 -36.6 21.8 3.4 11.5 371 385 A D H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 111.1 46.5 -59.2 -52.4 22.0 -0.4 11.9 372 386 A K H X S+ 0 0 39 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.900 109.8 56.2 -61.2 -37.7 23.7 -0.1 15.4 373 387 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.931 110.3 40.7 -61.9 -51.0 21.2 2.6 16.4 374 388 A I H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.909 116.4 51.4 -67.2 -40.7 18.0 0.4 15.8 375 389 A L H X S+ 0 0 10 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.941 112.6 45.6 -57.6 -48.2 19.8 -2.7 17.3 376 390 A D H X S+ 0 0 102 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.877 107.3 57.6 -66.4 -35.6 20.7 -0.7 20.4 377 391 A Q H X S+ 0 0 75 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.906 105.3 52.1 -60.3 -39.7 17.3 0.8 20.7 378 392 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.954 111.0 45.9 -60.1 -50.7 15.9 -2.8 20.9 379 393 A D H >X S+ 0 0 39 -4,-1.8 4,-1.1 1,-0.2 3,-0.6 0.893 111.1 53.7 -58.6 -41.1 18.3 -3.7 23.7 380 394 A A H 3X S+ 0 0 50 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.866 99.2 63.3 -63.2 -36.2 17.5 -0.5 25.5 381 395 A A H 3X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.835 97.5 56.7 -58.4 -34.4 13.7 -1.3 25.4 382 396 A L H <>S+ 0 0 9 -4,-2.8 5,-2.9 1,-0.2 3,-1.2 0.909 108.4 49.8 -64.6 -46.1 8.4 -0.2 34.0 389 403 A M H ><5S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.794 100.0 65.4 -70.9 -29.4 7.0 -3.5 35.1 390 404 A D H 3<5S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.799 110.5 38.4 -57.3 -29.4 8.7 -3.1 38.5 391 405 A D T <<5S- 0 0 102 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.129 118.5-110.8-105.5 17.3 6.2 -0.2 38.9 392 406 A Q T < 5 + 0 0 7 -3,-1.5 2,-1.9 1,-0.2 3,-0.2 0.699 68.2 149.2 60.9 22.4 3.3 -2.0 37.2 393 407 A A >< + 0 0 12 -5,-2.9 4,-1.8 1,-0.2 3,-0.3 -0.487 9.7 162.4 -88.2 70.7 3.6 0.5 34.3 394 408 A L H > + 0 0 0 -2,-1.9 4,-2.8 1,-0.2 5,-0.2 0.870 69.6 55.6 -61.1 -38.4 2.4 -1.9 31.6 395 409 A H H > S+ 0 0 43 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 107.5 48.0 -64.5 -38.6 1.7 0.9 29.1 396 410 A L H > S+ 0 0 96 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.844 110.8 52.1 -70.4 -33.8 5.2 2.3 29.3 397 411 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.977 116.3 39.5 -67.7 -51.6 6.7 -1.2 28.9 398 412 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.840 113.0 57.5 -60.9 -36.8 4.6 -1.8 25.8 399 413 A G H X S+ 0 0 17 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.887 108.2 46.0 -61.4 -39.5 5.2 1.9 24.7 400 414 A A H X S+ 0 0 22 -4,-2.0 4,-1.2 -3,-0.2 -2,-0.2 0.902 113.2 49.0 -70.2 -43.9 8.9 1.3 24.7 401 415 A I H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.902 113.6 45.9 -66.0 -41.0 8.7 -2.0 22.9 402 416 A F H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.723 102.0 64.1 -79.7 -15.8 6.5 -0.6 20.2 403 417 A A H X S+ 0 0 43 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.882 101.9 52.7 -67.6 -34.5 8.6 2.5 19.7 404 418 A V H X S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.903 108.3 50.5 -65.5 -40.1 11.3 0.1 18.5 405 419 A V H X S+ 0 0 3 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.937 110.7 47.6 -60.3 -49.2 8.7 -1.3 16.1 406 420 A A H X S+ 0 0 25 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.938 114.2 47.1 -58.6 -46.9 7.9 2.2 14.8 407 421 A E H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.835 107.4 57.8 -65.9 -31.7 11.6 3.0 14.4 408 422 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.824 103.8 51.7 -69.4 -33.5 12.3 -0.3 12.7 409 423 A N H X S+ 0 0 22 -4,-1.7 4,-3.0 -3,-0.4 5,-0.2 0.938 111.8 46.6 -64.9 -47.0 9.7 0.5 10.0 410 424 A R H X S+ 0 0 172 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.895 113.2 50.0 -57.7 -44.2 11.5 3.9 9.4 411 425 A Y H X S+ 0 0 20 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.947 114.2 45.1 -58.1 -49.1 14.9 2.1 9.4 412 426 A F H >X S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.2 4,-1.0 0.951 115.0 45.2 -62.9 -53.5 13.6 -0.5 6.9 413 427 A A H >< S+ 0 0 48 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.908 112.8 52.1 -56.9 -45.9 11.9 2.0 4.5 414 428 A G H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.609 104.0 56.2 -69.5 -15.8 14.9 4.3 4.6 415 429 A Q H << S- 0 0 41 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.699 91.6-150.7 -89.8 -19.1 17.4 1.6 3.7 416 430 A E S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.750 75.5 62.8 -65.5 -23.5 16.4 -2.9 0.5 418 432 A W H >> S+ 0 0 132 2,-0.2 3,-0.9 1,-0.2 4,-0.6 0.962 105.6 46.9 -59.0 -52.0 14.6 -3.5 -2.9 419 433 A A H >> S+ 0 0 49 -3,-0.4 4,-1.6 1,-0.3 3,-0.6 0.845 108.1 56.6 -56.0 -36.7 17.0 -1.0 -4.5 420 434 A L H 3X S+ 0 0 30 -4,-1.6 4,-1.7 1,-0.2 8,-0.3 0.769 88.6 76.2 -69.1 -25.2 19.9 -2.7 -2.8 421 435 A R H << S+ 0 0 52 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.906 108.3 30.9 -48.4 -46.9 18.8 -6.1 -4.4 422 436 A K H << S+ 0 0 89 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.1 0.971 128.0 36.5 -76.5 -63.0 20.4 -4.8 -7.7 423 437 A T H < S+ 0 0 118 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.923 133.0 4.2 -54.6 -56.0 23.2 -2.5 -6.5 424 438 A D X + 0 0 72 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 -0.703 54.4 176.3-147.9 78.5 24.6 -4.3 -3.4 425 439 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.818 83.8 59.9 -62.9 -29.4 23.2 -7.7 -2.4 426 440 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -61,-0.2 0.973 110.1 43.0 -56.8 -52.9 25.7 -8.1 0.5 427 441 A R H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.816 108.4 58.5 -63.5 -37.2 24.3 -4.9 2.1 428 442 A M H X S+ 0 0 12 -4,-2.0 4,-2.3 -8,-0.3 -1,-0.2 0.925 107.2 49.7 -54.3 -44.5 20.7 -6.0 1.3 429 443 A G H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.914 107.5 52.0 -64.1 -45.4 21.4 -9.1 3.4 430 444 A T H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.934 110.7 48.8 -56.3 -46.3 22.8 -7.1 6.2 431 445 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.900 112.0 47.4 -63.6 -40.8 19.7 -4.9 6.3 432 446 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.907 111.9 52.6 -65.2 -39.2 17.4 -8.0 6.2 433 447 A Y H X S+ 0 0 19 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.964 109.4 47.5 -56.2 -55.8 19.5 -9.5 9.0 434 448 A V H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.910 113.6 48.0 -52.3 -49.8 19.2 -6.5 11.2 435 449 A T H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.953 113.5 46.9 -61.1 -50.0 15.4 -6.3 10.6 436 450 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.919 114.2 48.8 -54.5 -46.2 15.0 -9.9 11.4 437 451 A E H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.909 110.1 49.2 -65.5 -41.5 17.2 -9.5 14.5 438 452 A V H X S+ 0 0 3 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.928 110.9 53.0 -59.2 -40.7 15.3 -6.5 15.7 439 453 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.869 106.2 52.2 -64.6 -38.0 12.1 -8.6 15.2 440 454 A R H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.925 110.4 47.9 -62.2 -45.0 13.5 -11.4 17.3 441 455 A R H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 114.4 45.4 -63.6 -44.5 14.3 -9.1 20.1 442 456 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.938 109.9 56.0 -61.0 -45.6 10.8 -7.5 20.0 443 457 A G H X S+ 0 0 0 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.931 108.7 46.6 -53.6 -46.9 9.2 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360.0 360.0-168.1 170.8 16.2 -37.4 98.3 621 126 B W 0 0 130 -2,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.868 360.0 360.0 -99.4 360.0 12.7 -36.0 98.0 622 ! 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 0.0 623 158 B W 0 0 205 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 135.7 12.0 -37.7 102.0 624 159 B V E -V 620 0H 89 -4,-1.5 -4,-1.8 2,-0.1 2,-0.4 -0.989 360.0-166.7-142.8 141.7 13.5 -41.2 101.6 625 160 B E E +V 619 0H 150 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.956 31.7 155.8-126.0 109.3 16.9 -42.9 102.2 626 161 B E E -V 618 0H 38 -8,-1.4 -8,-2.2 -2,-0.4 2,-0.3 -0.944 45.7-111.7-133.1 149.7 17.0 -46.3 100.5 627 162 B E E +V 617 0H 107 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.693 49.3 169.8 -79.3 139.9 19.7 -48.7 99.1 628 163 B S E -V 616 0H 5 -12,-2.6 -12,-2.6 -2,-0.3 2,-0.2 -0.999 38.1-116.7-156.9 140.3 19.5 -48.8 95.3 629 164 B Y E -V 615 0H 40 -2,-0.3 44,-2.7 -14,-0.2 45,-0.6 -0.601 37.8-159.2 -74.7 143.2 21.3 -50.0 92.2 630 165 B F E -VW 614 672H 26 -16,-2.9 -16,-1.7 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4,-2.4 2,-0.2 -2,-0.2 0.932 108.1 51.0 -70.6 -46.9 24.3 -38.8 73.8 641 176 B L H X S+ 0 0 42 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.897 110.6 50.3 -57.4 -38.7 25.0 -35.2 72.7 642 177 B D H X S+ 0 0 97 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.926 107.1 54.5 -63.0 -43.9 27.1 -36.6 69.8 643 178 B L H X S+ 0 0 23 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.936 109.4 47.4 -55.5 -46.5 24.3 -39.0 68.9 644 179 B Y H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.857 114.3 46.4 -64.1 -38.3 21.9 -36.0 68.6 645 180 B E H < S+ 0 0 69 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.952 118.1 41.7 -66.9 -45.5 24.5 -34.0 66.5 646 181 B N H < S+ 0 0 131 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.641 122.2 38.6 -80.6 -19.2 25.3 -37.0 64.2 647 182 B N >< + 0 0 52 -4,-1.7 3,-1.8 -5,-0.3 4,-0.3 -0.771 65.1 178.9-130.2 83.9 21.7 -38.2 63.8 648 183 B P T 3 S+ 0 0 82 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.655 82.1 52.7 -64.4 -12.3 19.4 -35.2 63.6 649 184 B G T 3 S+ 0 0 9 1,-0.1 104,-0.3 102,-0.1 3,-0.2 0.169 75.1 105.8-104.6 18.0 16.3 -37.4 63.2 650 185 B F S < S+ 0 0 0 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2 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.938 110.5 48.1 -61.7 -47.3 -9.4 -38.2 44.5 874 420 B A H X S+ 0 0 43 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.957 114.4 46.0 -58.6 -49.0 -10.7 -34.6 44.7 875 421 B E H X S+ 0 0 67 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.827 107.6 58.5 -64.8 -31.5 -9.1 -33.8 41.3 876 422 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.832 103.9 51.5 -68.3 -32.6 -10.5 -37.1 39.8 877 423 B N H X S+ 0 0 26 -4,-1.6 4,-3.0 -3,-0.5 5,-0.2 0.929 110.9 47.8 -64.6 -47.6 -14.1 -36.0 40.6 878 424 B R H X S+ 0 0 114 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.898 112.6 50.0 -57.8 -43.4 -13.4 -32.7 38.8 879 425 B Y H X S+ 0 0 14 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.947 113.7 45.0 -57.3 -51.4 -11.9 -34.7 35.9 880 426 B F H >X S+ 0 0 7 -4,-2.4 3,-1.0 2,-0.2 4,-0.8 0.959 115.4 45.1 -63.1 -52.9 -15.0 -37.0 35.8 881 427 B A H >< S+ 0 0 63 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.899 112.9 52.3 -55.3 -45.8 -17.6 -34.2 36.1 882 428 B G H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.625 103.5 56.8 -70.6 -16.3 -15.8 -32.0 33.5 883 429 B Q H << S- 0 0 41 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.668 94.7-147.3 -88.8 -17.0 -15.7 -34.8 30.9 884 430 B E S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.740 77.5 62.8 -68.9 -21.7 -19.6 -38.9 30.4 886 432 B W H > S+ 0 0 167 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.964 106.5 44.7 -58.0 -54.4 -23.5 -38.8 30.3 887 433 B A H > S+ 0 0 53 -3,-0.3 4,-2.0 1,-0.2 3,-0.4 0.865 113.1 52.2 -55.3 -38.3 -23.3 -36.5 27.3 888 434 B L H X S+ 0 0 27 -4,-1.8 4,-1.5 1,-0.2 8,-0.3 0.826 94.1 70.7 -71.4 -29.6 -20.5 -38.9 25.9 889 435 B R H < S+ 0 0 121 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.909 112.6 29.8 -50.1 -45.2 -22.8 -41.9 26.4 890 436 B K H < S+ 0 0 87 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.1 0.973 128.5 36.4 -77.1 -64.4 -24.9 -40.6 23.5 891 437 B T H < S+ 0 0 111 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.926 133.2 5.3 -56.8 -52.3 -22.4 -38.7 21.3 892 438 B D X + 0 0 75 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 -0.698 53.6 176.1-148.5 78.9 -19.2 -40.8 21.6 893 439 B P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.813 83.8 60.9 -62.8 -27.0 -19.2 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3,-1.1 0.896 108.2 51.3 -65.0 -43.0 19.9 0.9 79.1 1328 403 C M H ><5S+ 0 0 3 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.816 99.7 64.5 -72.5 -28.5 21.4 -2.5 79.7 1329 404 C D H 3<5S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.797 110.6 38.8 -55.6 -30.9 23.5 -2.1 76.7 1330 405 C D T <<5S- 0 0 105 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.135 118.5-110.5-106.1 18.7 25.2 0.7 78.6 1331 406 C Q T < 5 + 0 0 7 -3,-1.5 2,-1.9 1,-0.2 -3,-0.2 0.693 67.9 150.0 59.7 22.9 25.1 -1.1 82.0 1332 407 C A >< + 0 0 12 -5,-2.9 4,-1.8 1,-0.2 3,-0.3 -0.460 9.0 162.1 -87.5 69.8 22.5 1.5 83.1 1333 408 C L H > S+ 0 0 0 -2,-1.9 4,-2.7 1,-0.2 5,-0.2 0.867 70.6 54.6 -60.8 -38.0 20.7 -0.8 85.5 1334 409 C H H > S+ 0 0 39 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 107.7 48.9 -66.0 -37.6 19.0 2.1 87.3 1335 410 C L H > S+ 0 0 95 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.850 111.0 52.0 -69.6 -32.3 17.5 3.5 84.1 1336 411 C A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 3,-0.2 0.976 115.9 39.0 -66.8 -55.6 16.2 0.0 83.2 1337 412 C L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 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0.822 103.3 51.9 -68.7 -33.9 -0.6 1.7 86.5 1348 423 C N H X S+ 0 0 23 -4,-1.6 4,-3.0 -3,-0.5 5,-0.2 0.941 111.2 47.1 -65.7 -46.0 -1.7 2.6 90.0 1349 424 C R H X S+ 0 0 167 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.900 112.9 50.1 -58.0 -44.5 -2.9 6.0 88.7 1350 425 C Y H X S+ 0 0 15 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.953 114.0 44.6 -57.5 -50.5 -4.7 4.2 85.8 1351 426 C F H >X S+ 0 0 4 -4,-2.5 3,-1.0 2,-0.2 4,-0.9 0.953 115.6 45.0 -61.1 -54.7 -6.3 1.8 88.3 1352 427 C A H >< S+ 0 0 63 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.901 112.9 53.0 -56.6 -43.6 -7.4 4.4 90.8 1353 428 C G H 3< S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.627 103.9 55.2 -70.8 -15.9 -8.6 6.7 88.0 1354 429 C Q H << S- 0 0 43 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.681 93.6-148.8 -91.0 -18.2 -10.8 4.0 86.5 1355 430 C E S+ 0 0 5 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.737 76.3 63.0 -68.2 -22.5 -13.3 -0.2 89.3 1357 432 C W H >> S+ 0 0 178 2,-0.2 4,-0.8 1,-0.2 3,-0.6 0.962 106.1 45.3 -57.1 -55.1 -15.3 -0.4 92.6 1358 433 C A H 3> S+ 0 0 56 -3,-0.4 4,-1.7 1,-0.2 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