==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-JUL-07 2QJ0 . COMPND 2 MOLECULE: UBIQUITIN CONJUGATION FACTOR E4; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.TU,A.T.BRUNGER . 937 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 706 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 44 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 2 0 1 3 1 5 2 1 0 5 0 5 1 2 0 3 1 0 1 0 0 0 0 1 0 0 4 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 G 0 0 90 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-114.9 66.7 84.1 179.3 2 -4 A S + 0 0 61 2,-0.1 4,-0.4 3,-0.1 79,-0.1 0.486 360.0 66.2-128.1 -21.8 64.7 81.8 176.9 3 -3 A E S > S+ 0 0 150 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.339 101.9 60.6 -80.4 5.8 61.2 83.1 177.5 4 -2 A F H > S+ 0 0 113 2,-0.2 4,-2.9 3,-0.1 5,-0.3 0.800 86.1 66.4 -95.2 -48.8 62.9 86.0 175.8 5 -1 A R H > S+ 0 0 161 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.712 105.5 50.9 -47.8 -20.1 63.8 84.1 172.6 6 0 A S H > S+ 0 0 9 -4,-0.4 4,-2.5 2,-0.2 3,-0.3 0.944 107.6 45.6 -82.7 -59.5 60.0 84.2 172.3 7 1 A X H X S+ 0 0 73 -4,-0.8 4,-1.1 1,-0.3 -2,-0.2 0.807 115.3 52.3 -55.7 -29.1 59.3 87.9 172.8 8 2 A T H X S+ 0 0 36 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.877 108.8 47.2 -74.4 -40.5 62.2 88.5 170.4 9 3 A A H X S+ 0 0 7 -4,-0.9 4,-1.0 -5,-0.3 -2,-0.2 0.829 109.4 54.4 -70.9 -32.0 60.8 86.2 167.7 10 4 A I H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.855 107.3 53.4 -67.5 -34.6 57.4 87.8 168.0 11 5 A E H X>S+ 0 0 53 -4,-1.1 4,-1.1 -5,-0.3 5,-0.9 0.952 110.9 42.8 -64.1 -51.8 59.1 91.1 167.4 12 6 A D H <5S+ 0 0 65 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.596 118.6 45.1 -74.5 -11.8 60.9 90.1 164.1 13 7 A I H <5S+ 0 0 0 -4,-1.0 -2,-0.2 -5,-0.1 52,-0.2 0.857 124.8 29.8 -95.9 -48.7 57.8 88.3 162.8 14 8 A L H <5S- 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.479 100.7-136.4 -87.7 -1.0 55.1 90.9 163.6 15 9 A Q T <5 + 0 0 76 -4,-1.1 12,-1.6 -5,-0.2 2,-0.3 0.929 63.3 114.6 41.4 64.4 57.7 93.7 163.2 16 10 A I E < +a 27 0A 3 -5,-0.9 2,-0.2 10,-0.3 12,-0.2 -0.944 37.2 175.9-160.1 134.1 56.6 95.6 166.3 17 11 A T E -a 28 0A 4 10,-1.8 12,-1.4 -2,-0.3 5,-0.1 -0.683 29.0-135.4-129.0-176.3 58.2 96.3 169.7 18 12 A T S S+ 0 0 84 -2,-0.2 10,-0.1 10,-0.2 -1,-0.0 0.544 73.3 95.4-120.9 -14.3 57.4 98.3 172.9 19 13 A D S S- 0 0 71 1,-0.1 3,-0.2 2,-0.1 -2,-0.1 -0.708 71.1-138.6 -84.7 119.6 60.6 100.2 173.6 20 14 A P S S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.584 95.8 60.8 -51.8 -8.5 60.5 103.7 172.2 21 15 A S + 0 0 101 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.620 67.1 156.9-124.0 74.3 64.2 103.2 171.1 22 16 A D - 0 0 53 -2,-0.4 -5,-0.0 -3,-0.2 6,-0.0 -0.843 42.5-139.8-103.3 134.7 64.4 100.3 168.7 23 17 A T S S+ 0 0 135 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.284 86.0 63.1 -71.1 11.4 67.4 100.0 166.3 24 18 A R S S- 0 0 160 2,-0.1 2,-1.4 3,-0.0 -2,-0.2 -0.955 96.0-103.3-137.7 157.5 64.9 98.8 163.7 25 19 A G + 0 0 74 -2,-0.3 2,-0.1 -9,-0.0 -2,-0.1 0.021 65.9 145.4 -69.8 34.1 61.9 100.2 161.8 26 20 A Y - 0 0 33 -2,-1.4 -10,-0.3 1,-0.1 -4,-0.1 -0.456 56.1-106.5 -76.4 144.4 59.4 98.3 163.9 27 21 A S E -a 16 0A 30 -12,-1.6 -10,-1.8 -2,-0.1 2,-0.5 -0.420 30.3-136.5 -67.1 141.5 56.1 99.9 164.7 28 22 A L E -a 17 0A 49 -12,-0.2 2,-0.4 -2,-0.1 -10,-0.2 -0.876 14.7-153.5-100.9 130.3 55.8 101.1 168.3 29 23 A L - 0 0 23 -12,-1.4 2,-0.4 -2,-0.5 12,-0.0 -0.831 8.6-166.1-103.8 147.2 52.5 100.3 170.1 30 24 A K 0 0 146 -2,-0.4 -12,-0.0 1,-0.1 -2,-0.0 -0.908 360.0 360.0-141.3 111.9 51.3 102.4 172.9 31 25 A S 0 0 168 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.238 360.0 360.0 155.7 360.0 48.5 101.6 175.4 32 ! 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 33 34 A L 0 0 174 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.1 51.5 88.3 179.5 34 35 A G + 0 0 22 1,-0.0 0, 0.0 -28,-0.0 0, 0.0 -0.598 360.0 4.9 133.5 -77.2 53.8 87.0 176.8 35 36 A V S S+ 0 0 31 -2,-0.2 3,-0.4 2,-0.1 4,-0.1 0.386 120.5 67.8-122.0 -4.8 52.2 85.2 173.9 36 37 A D S S+ 0 0 125 1,-0.2 4,-0.2 2,-0.1 -1,-0.0 0.270 95.5 64.6 -94.2 6.5 48.6 85.9 175.0 37 38 A F S > S+ 0 0 36 2,-0.1 4,-2.1 1,-0.1 -1,-0.2 0.540 80.2 77.1-104.7 -14.4 49.6 89.4 174.2 38 39 A I H > S+ 0 0 4 -3,-0.4 4,-1.6 2,-0.2 -2,-0.1 0.666 88.4 57.4 -75.2 -16.9 50.2 88.8 170.4 39 40 A D H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.864 110.5 46.4 -75.8 -35.0 46.4 88.8 169.6 40 41 A T H > S+ 0 0 76 2,-0.2 4,-1.2 -4,-0.2 -2,-0.2 0.884 108.1 54.6 -70.3 -41.1 46.5 92.3 171.2 41 42 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.929 113.3 44.5 -55.8 -47.8 49.5 93.3 169.2 42 43 A L H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.967 104.3 56.4 -62.8 -61.3 47.7 92.3 166.0 43 44 A L H X S+ 0 0 74 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.796 113.0 49.4 -44.7 -29.0 44.3 93.8 166.6 44 45 A Y H X>S+ 0 0 45 -4,-1.2 4,-2.9 2,-0.2 5,-1.3 0.984 105.7 50.2 -74.2 -65.1 46.3 97.0 167.0 45 46 A Q H <5S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 7,-0.2 0.786 120.7 41.4 -44.5 -30.1 48.5 96.9 163.9 46 47 A L H <5S+ 0 0 3 -4,-2.3 62,-2.2 -5,-0.1 63,-0.3 0.822 128.5 23.1 -91.4 -34.6 45.2 96.3 162.0 47 48 A T H <5S+ 0 0 40 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.373 133.4 26.0-115.5 6.0 42.8 98.7 163.6 48 49 A E T <5S+ 0 0 99 -4,-2.9 2,-0.7 1,-0.1 -3,-0.2 0.628 88.6 90.2-130.8 -54.6 45.0 101.4 165.2 49 50 A N > < - 0 0 9 -5,-1.3 3,-1.4 1,-0.2 -1,-0.1 -0.363 50.0-170.8 -56.5 102.0 48.4 101.8 163.4 50 51 A E T 3 S+ 0 0 134 -2,-0.7 -1,-0.2 1,-0.3 -5,-0.0 0.557 78.7 75.1 -72.7 -6.6 47.6 104.4 160.7 51 52 A K T 3 S+ 0 0 169 1,-0.1 2,-0.9 2,-0.0 -1,-0.3 0.586 77.2 83.4 -81.2 -11.9 51.0 103.7 159.3 52 53 A L < + 0 0 29 -3,-1.4 57,-0.3 -7,-0.2 -1,-0.1 -0.826 44.9 162.8 -96.8 101.5 49.8 100.4 157.8 53 54 A D S S+ 0 0 105 -2,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.741 75.1 49.8 -86.7 -26.9 48.1 101.1 154.5 54 55 A K > + 0 0 105 1,-0.2 4,-1.7 -3,-0.2 -1,-0.2 -0.653 62.2 168.7-115.6 74.1 48.2 97.5 153.3 55 56 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 82.2 43.5 -49.3 -47.4 46.8 95.4 156.2 56 57 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.937 108.4 53.9 -69.3 -49.9 46.6 92.3 154.1 57 58 A E H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.825 114.1 49.1 -54.5 -26.2 50.0 92.7 152.4 58 59 A Y H >X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 3,-0.8 0.982 105.2 51.6 -74.7 -62.3 51.2 92.8 156.0 59 60 A L H 3X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.792 112.5 51.2 -45.6 -31.3 49.3 89.8 157.4 60 61 A N H 3X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.881 106.5 50.8 -76.7 -39.0 50.9 87.9 154.5 61 62 A D H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 3,-1.4 0.994 113.4 43.1 -65.7 -63.4 53.9 88.0 158.8 63 64 A F H 3X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.888 114.0 55.8 -45.7 -43.1 52.7 84.6 157.8 64 65 A R H 3< S+ 0 0 158 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.794 112.4 39.3 -63.0 -33.3 55.5 84.6 155.3 65 66 A R H XX S+ 0 0 44 -4,-1.5 4,-2.4 -3,-1.4 3,-2.3 0.858 109.6 58.3 -85.9 -39.2 58.2 85.2 157.9 66 67 A N H 3X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.887 104.9 54.1 -55.0 -38.9 56.7 82.9 160.5 67 68 A Q H 3< S+ 0 0 65 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.3 0.425 110.8 45.7 -75.9 -0.8 57.1 80.2 157.9 68 69 A Q H <4 S+ 0 0 95 -3,-2.3 -2,-0.2 2,-0.2 4,-0.2 0.645 102.7 60.9-109.6 -31.8 60.7 81.1 157.6 69 70 A Q H >X S+ 0 0 56 -4,-2.4 4,-1.5 1,-0.2 3,-0.7 0.874 108.5 48.5 -61.5 -35.0 61.4 81.2 161.3 70 71 A K H 3X S+ 0 0 56 -4,-1.4 4,-2.0 -5,-0.2 3,-0.3 0.939 100.1 62.1 -70.3 -49.1 60.3 77.6 161.2 71 72 A R H 34 S+ 0 0 185 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.475 120.3 28.4 -57.9 0.1 62.6 76.7 158.2 72 73 A I H <4 S+ 0 0 80 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.500 111.2 63.4-134.4 -17.9 65.5 77.6 160.5 73 74 A T H >< S+ 0 0 17 -4,-1.5 3,-0.8 -3,-0.3 -3,-0.2 0.764 102.5 52.9 -80.2 -26.5 64.2 77.0 164.0 74 75 A K T 3< S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.668 97.9 66.1 -81.9 -16.1 63.9 73.2 163.3 75 76 A N T 3 S+ 0 0 112 -5,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.094 97.4 72.4 -90.3 22.5 67.5 73.2 162.1 76 77 A K S < S- 0 0 121 -3,-0.8 -4,-0.0 1,-0.1 -3,-0.0 -0.963 80.0-128.6-137.5 153.6 68.7 73.9 165.6 77 78 A P S S+ 0 0 128 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.887 100.7 65.9 -65.9 -41.6 68.9 72.1 169.0 78 79 A N + 0 0 128 1,-0.1 -3,-0.1 -3,-0.1 -2,-0.0 -0.768 66.4 116.9 -86.0 108.8 67.0 74.9 170.8 79 80 A A + 0 0 33 -2,-0.9 -1,-0.1 -5,-0.1 -3,-0.0 -0.339 36.7 90.5-173.2 77.3 63.6 74.9 169.3 80 81 A E S >> S+ 0 0 168 3,-0.0 3,-1.1 -2,-0.0 4,-0.7 0.535 83.2 44.3-142.5 -49.2 60.7 74.1 171.7 81 82 A S H 3> S+ 0 0 66 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.529 106.0 70.5 -80.7 -4.1 59.1 77.1 173.4 82 83 A L H 3> S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.570 91.7 57.3 -84.3 -11.7 59.3 78.6 169.9 83 84 A H H <> S+ 0 0 112 -3,-1.1 4,-1.6 2,-0.2 5,-0.2 0.840 96.8 60.6 -84.2 -37.3 56.6 76.2 168.9 84 85 A S H X S+ 0 0 72 -4,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.843 119.4 30.0 -56.4 -34.1 54.2 77.4 171.6 85 86 A T H X S+ 0 0 3 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.894 110.3 61.3 -92.4 -52.7 54.5 80.8 169.8 86 87 A F H X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.788 109.9 50.8 -44.7 -29.3 55.1 80.0 166.1 87 88 A Q H X S+ 0 0 92 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.932 104.4 50.6 -77.0 -51.8 51.7 78.3 166.5 88 89 A E H X S+ 0 0 49 -4,-0.8 4,-1.3 -5,-0.2 -2,-0.2 0.738 109.6 56.1 -60.4 -21.3 49.7 81.1 168.0 89 90 A I H >X S+ 0 0 6 -4,-2.0 4,-3.3 2,-0.2 3,-1.3 0.987 107.0 46.0 -70.3 -63.4 51.1 83.2 165.2 90 91 A D H 3X S+ 0 0 23 -4,-1.6 4,-1.2 1,-0.3 5,-0.5 0.796 111.5 55.8 -47.3 -34.2 49.7 80.9 162.5 91 92 A R H 3X S+ 0 0 123 -4,-2.2 4,-0.6 1,-0.2 -1,-0.3 0.852 118.2 30.1 -71.0 -34.7 46.4 80.9 164.4 92 93 A L H X S+ 0 0 29 -4,-1.7 4,-2.4 2,-0.2 3,-0.7 0.834 105.7 66.9 -85.7 -37.5 42.7 87.4 160.8 97 98 A G H 3X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.3 -2,-0.2 0.781 102.3 53.1 -52.2 -25.0 43.6 87.1 157.2 98 99 A V H 3< S+ 0 0 3 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.822 105.3 49.5 -80.1 -35.8 40.1 85.6 157.0 99 100 A V H XX S+ 0 0 36 -3,-0.7 4,-2.4 -4,-0.6 3,-1.6 0.851 103.4 63.0 -71.4 -32.6 38.4 88.5 158.6 100 101 A A H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.915 110.0 39.1 -55.1 -45.6 40.2 90.8 156.2 101 102 A L T 3< S+ 0 0 3 -4,-0.9 -1,-0.3 -5,-0.2 48,-0.2 -0.275 120.9 44.4-101.1 44.7 38.4 89.1 153.3 102 103 A Q T <4 S+ 0 0 43 -3,-1.6 2,-0.6 1,-0.4 -2,-0.2 0.439 100.8 57.0-151.3 -36.7 35.0 88.8 155.1 103 104 A I S >< S- 0 0 93 -4,-2.4 3,-1.1 1,-0.2 -1,-0.4 -0.948 80.9-130.3-109.2 120.1 34.1 92.0 156.9 104 105 A E T 3 S+ 0 0 95 -2,-0.6 2,-0.4 1,-0.2 8,-0.3 0.834 90.6 1.8 -33.5 -80.7 34.0 95.0 154.6 105 106 A N T 3 S+ 0 0 97 1,-0.2 -1,-0.2 6,-0.1 -5,-0.1 -0.500 76.5 133.3-118.3 68.5 36.1 97.5 156.5 106 107 A F < + 0 0 62 -3,-1.1 -1,-0.2 -2,-0.4 2,-0.1 0.727 64.0 76.9 -80.7 -23.0 37.3 95.9 159.6 107 108 A C S S- 0 0 11 -4,-0.3 -60,-0.2 -3,-0.3 3,-0.1 -0.460 83.0-127.3 -88.3 161.4 40.8 97.3 158.8 108 109 A X S S+ 0 0 92 -62,-2.2 2,-0.4 1,-0.2 -61,-0.1 0.920 93.1 32.7 -72.5 -45.2 42.0 100.9 159.3 109 110 A N S S+ 0 0 50 -57,-0.3 -1,-0.2 -63,-0.3 -3,-0.0 -0.947 109.3 1.0-120.3 135.5 43.3 101.4 155.7 110 111 A G - 0 0 25 -2,-0.4 2,-0.2 -56,-0.1 -3,-0.2 0.128 59.8-128.5 81.1 162.0 41.9 99.9 152.5 111 112 A A >> - 0 0 12 -6,-0.1 4,-1.8 -5,-0.1 3,-1.3 -0.745 47.8 -65.0-135.4-177.3 39.0 97.7 151.6 112 113 A F H 3> S+ 0 0 17 -8,-0.3 4,-2.7 1,-0.3 5,-0.4 0.844 128.8 56.1 -37.7 -53.2 38.4 94.5 149.7 113 114 A I H 3> S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.848 108.2 47.7 -52.1 -42.3 39.4 96.1 146.4 114 115 A N H <> S+ 0 0 93 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.903 112.7 47.2 -69.3 -43.1 42.8 97.2 147.7 115 116 A Y H X S+ 0 0 10 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.954 115.4 43.2 -65.8 -50.1 43.7 93.8 149.2 116 117 A I H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.743 109.2 60.2 -69.7 -19.6 42.8 91.7 146.2 117 118 A T H X S+ 0 0 36 -4,-1.0 4,-1.7 -5,-0.4 -1,-0.2 0.914 107.9 45.0 -69.8 -40.1 44.4 94.3 144.0 118 119 A G H X S+ 0 0 20 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.929 112.1 51.7 -66.1 -44.8 47.6 93.6 145.8 119 120 A I H < S+ 0 0 11 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.922 108.9 50.8 -56.9 -46.6 47.0 89.9 145.6 120 121 A V H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.843 105.2 58.9 -61.5 -36.2 46.5 90.1 141.8 121 122 A S H 3< S+ 0 0 78 -4,-1.7 2,-0.4 1,-0.3 -1,-0.2 0.953 127.3 9.1 -59.5 -58.8 49.7 92.1 141.4 122 123 A N T >< S+ 0 0 98 -4,-1.7 3,-1.1 1,-0.1 -1,-0.3 -0.730 76.9 165.6-126.3 81.1 52.1 89.5 142.8 123 124 A V G X> + 0 0 7 -3,-0.6 3,-2.3 -2,-0.4 4,-0.9 0.862 65.0 69.4 -66.6 -39.4 49.9 86.4 143.2 124 125 A N G 34 S+ 0 0 120 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.576 97.4 57.6 -60.0 -3.8 52.6 83.8 143.7 125 126 A S G <4 S+ 0 0 63 -3,-1.1 -1,-0.3 -6,-0.2 4,-0.2 0.438 107.3 41.8-105.4 -3.5 53.3 85.5 147.1 126 127 A Y T <> S+ 0 0 15 -3,-2.3 4,-3.3 -7,-0.2 5,-0.4 0.331 88.4 99.0-118.0 -2.6 49.9 85.2 148.7 127 128 A T H X S+ 0 0 42 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.934 86.1 38.1 -50.3 -60.3 49.4 81.7 147.4 128 129 A D H > S+ 0 0 104 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.964 119.8 46.6 -57.9 -57.6 50.4 79.8 150.6 129 130 A F H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.917 114.7 46.1 -53.4 -50.3 48.7 82.2 153.0 130 131 A L H X S+ 0 0 9 -4,-3.3 4,-2.8 2,-0.2 3,-0.3 0.936 107.4 57.8 -58.6 -48.4 45.5 82.4 150.9 131 132 A S H X S+ 0 0 31 -4,-2.5 4,-2.1 -5,-0.4 -1,-0.2 0.921 110.7 44.2 -46.3 -49.7 45.4 78.6 150.6 132 133 A Q H X S+ 0 0 78 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.783 109.2 55.9 -66.6 -31.5 45.4 78.5 154.4 133 134 A I H X S+ 0 0 1 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.855 107.9 50.2 -69.6 -35.7 42.8 81.2 154.7 134 135 A I H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.973 109.4 48.2 -65.6 -56.6 40.5 79.2 152.5 135 136 A Q H X S+ 0 0 80 -4,-2.1 4,-2.6 1,-0.3 5,-0.3 0.911 111.8 52.6 -49.0 -47.4 40.9 75.9 154.5 136 137 A R H X S+ 0 0 50 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.938 108.0 51.6 -53.1 -51.9 40.2 78.0 157.6 137 138 A A H < S+ 0 0 0 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.918 112.3 43.0 -53.9 -53.2 37.1 79.4 156.0 138 139 A I H >< S+ 0 0 43 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.941 113.9 49.8 -63.9 -47.7 35.5 76.0 155.1 139 140 A L H 3< S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 112.3 48.5 -58.1 -39.3 36.4 74.3 158.4 140 141 A E T 3< S- 0 0 116 -4,-2.4 2,-1.2 -5,-0.3 -1,-0.3 0.473 115.1-121.6 -80.8 0.8 34.9 77.2 160.3 141 142 A G S < S+ 0 0 52 -3,-1.6 3,-0.3 -4,-0.2 2,-0.2 -0.566 82.8 105.5 96.7 -69.3 31.8 77.0 158.1 142 143 A T + 0 0 40 -2,-1.2 -2,-0.2 1,-0.2 -1,-0.2 -0.255 32.4 120.7 -50.4 109.8 32.0 80.5 156.7 143 144 A A > + 0 0 10 -2,-0.2 4,-2.4 -5,-0.1 -1,-0.2 0.428 62.1 65.8-143.2 -32.1 33.2 80.2 153.1 144 145 A L H > S+ 0 0 64 -3,-0.3 4,-3.3 1,-0.2 5,-0.2 0.918 104.6 52.4 -61.7 -40.1 30.4 81.7 151.0 145 146 A D H 4 S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.868 105.1 53.1 -62.6 -38.7 31.4 84.9 152.8 146 147 A L H >> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.957 114.2 43.7 -61.0 -47.9 35.0 84.5 151.8 147 148 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 106.5 57.9 -63.0 -47.9 33.9 84.1 148.2 148 149 A N H 3< S+ 0 0 38 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.577 112.4 45.9 -61.2 -7.1 31.4 87.0 148.2 149 150 A A H <4 S+ 0 0 4 -3,-0.9 4,-0.3 -4,-0.5 -2,-0.2 0.812 118.2 35.0-103.1 -42.6 34.4 89.1 149.2 150 151 A V H X S+ 0 0 7 -4,-1.9 4,-1.8 -49,-0.2 -2,-0.2 0.834 120.0 43.8 -85.3 -30.0 37.1 88.1 146.8 151 152 A F H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 -3,-0.2 0.905 109.6 47.0 -87.4 -42.2 35.1 87.4 143.6 152 153 A P H > S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.881 119.3 49.3 -64.3 -27.4 32.5 90.1 143.2 153 154 A T H > S+ 0 0 10 -4,-0.3 4,-3.3 2,-0.2 5,-0.3 0.926 102.5 56.3 -71.3 -48.2 35.6 92.2 143.9 154 155 A L H X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.821 109.5 51.7 -52.6 -29.5 37.8 90.4 141.3 155 156 A L H X S+ 0 0 24 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.923 108.6 46.4 -73.2 -50.1 35.0 91.5 139.0 156 157 A E H X>S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 5,-0.7 0.866 114.0 51.0 -62.1 -35.0 35.1 95.1 140.0 157 158 A Y H X5S+ 0 0 15 -4,-3.3 4,-1.2 3,-0.2 -2,-0.2 0.939 109.5 48.8 -68.0 -46.1 38.9 94.9 139.6 158 159 A C H <5S+ 0 0 5 -4,-2.2 7,-0.3 -5,-0.3 -2,-0.2 0.870 121.6 36.1 -61.9 -34.7 38.7 93.4 136.2 159 160 A N H <5S+ 0 0 50 -4,-2.2 3,-0.3 53,-0.1 -2,-0.2 0.967 132.1 18.0 -82.0 -59.7 36.2 96.1 135.1 160 161 A K H <5S+ 0 0 161 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.676 120.1 52.8 -92.9 -18.6 37.3 99.3 136.8 161 162 A H S < S- 0 0 12 -2,-1.3 3,-2.1 56,-0.1 7,-0.3 -0.916 83.9 -70.3-151.8 177.6 42.2 91.1 127.8 167 168 A L T 3 S+ 0 0 5 56,-0.4 3,-0.2 1,-0.3 -2,-0.1 0.523 119.5 67.8 -53.6 -5.4 44.9 88.9 126.3 168 169 A N T 3 S+ 0 0 31 1,-0.2 2,-2.1 -4,-0.1 -1,-0.3 0.789 82.6 69.9 -87.9 -29.0 47.2 92.0 126.4 169 170 A E <> + 0 0 62 -3,-2.1 4,-2.7 1,-0.2 5,-0.5 -0.510 68.3 171.1 -85.1 67.7 47.5 92.2 130.1 170 171 A S H > S+ 0 0 64 -2,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.829 72.1 40.8 -49.4 -42.7 49.5 89.0 130.1 171 172 A V H > S+ 0 0 93 -3,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.952 116.5 47.4 -74.6 -50.0 50.5 89.2 133.8 172 173 A I H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 116.8 39.8 -60.0 -49.8 47.1 90.4 135.1 173 174 A Y H X S+ 0 0 7 -4,-2.7 4,-2.6 -7,-0.3 5,-0.2 0.958 115.5 52.9 -66.7 -44.7 44.8 87.9 133.3 174 175 A N H X S+ 0 0 59 -4,-1.1 4,-1.5 -5,-0.5 -1,-0.2 0.855 114.5 42.9 -56.6 -36.0 47.3 85.1 133.9 175 176 A N H X S+ 0 0 20 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.834 109.5 55.9 -79.4 -34.5 47.3 85.9 137.6 176 177 A V H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.867 108.4 49.1 -66.3 -34.0 43.6 86.4 137.8 177 178 A L H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-1.5 0.952 105.7 58.3 -67.6 -44.7 43.2 82.9 136.4 178 179 A T H 3X S+ 0 0 36 -4,-1.5 4,-2.2 1,-0.3 5,-0.2 0.848 105.0 49.1 -52.1 -39.5 45.7 81.6 139.0 179 180 A I H 3X S+ 0 0 10 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.705 110.4 52.6 -76.1 -16.3 43.5 82.9 141.8 180 181 A F H X S+ 0 0 42 -4,-2.7 4,-2.3 2,-0.2 3,-0.8 0.997 115.6 49.2 -60.1 -67.0 42.2 77.8 139.9 182 183 A L H 3< S+ 0 0 38 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.861 117.7 42.8 -37.3 -50.9 43.8 78.0 143.4 183 184 A F H 3< S+ 0 0 2 -4,-1.1 3,-0.4 -5,-0.2 -1,-0.3 0.827 118.3 43.2 -70.2 -34.2 40.4 79.0 144.9 184 185 A V H << S+ 0 0 0 -4,-2.2 6,-0.3 -3,-0.8 -2,-0.2 0.589 91.2 79.0 -94.0 -9.7 38.4 76.4 142.9 185 186 A T S < S+ 0 0 71 -4,-2.3 2,-0.9 -3,-0.2 -1,-0.2 0.604 77.3 88.5 -72.0 -9.2 40.6 73.3 143.3 186 187 A F S >> S- 0 0 41 -3,-0.4 3,-2.2 -5,-0.3 4,-1.6 -0.811 75.0-152.2 -90.7 107.1 39.1 73.1 146.8 187 188 A K H 3> S+ 0 0 128 -2,-0.9 4,-2.2 1,-0.3 5,-0.2 0.809 89.8 63.5 -52.5 -37.5 36.0 71.0 146.2 188 189 A P H 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.733 108.4 46.4 -62.1 -16.4 34.0 72.4 149.1 189 190 A I H X> S+ 0 0 4 -3,-2.2 3,-3.2 2,-0.1 4,-2.3 0.917 106.2 56.8 -84.3 -55.5 34.2 75.7 147.2 190 191 A A H 3X S+ 0 0 2 -4,-1.6 4,-0.5 -6,-0.3 3,-0.2 0.875 101.7 56.0 -41.8 -52.5 33.3 74.2 143.9 191 192 A E H 3< S+ 0 0 84 -4,-2.2 -1,-0.3 82,-0.3 -2,-0.1 0.529 120.5 31.9 -64.2 -1.3 30.0 72.8 145.2 192 193 A I H X4 S+ 0 0 57 -3,-3.2 3,-2.7 -5,-0.2 4,-0.4 0.557 87.6 100.0-127.4 -20.1 29.1 76.3 146.3 193 194 A F H >< S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.3 -2,-0.1 0.798 75.2 62.6 -38.8 -50.7 30.7 78.6 143.8 194 195 A T T 3< S+ 0 0 3 -4,-0.5 -1,-0.3 1,-0.3 5,-0.1 0.417 93.4 66.6 -62.1 3.6 27.6 79.2 141.7 195 196 A K T < S+ 0 0 88 -3,-2.7 -1,-0.3 4,-0.1 -2,-0.2 0.615 70.5 123.0 -98.1 -15.0 26.0 80.9 144.8 196 197 A I S X S- 0 0 3 -3,-2.3 3,-1.7 -4,-0.4 4,-0.2 -0.158 79.9 -92.2 -48.7 131.7 28.4 83.8 144.8 197 198 A D T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.226 111.8 13.6 -49.5 126.8 26.6 87.2 144.6 198 199 A G T 3 S+ 0 0 39 -3,-0.1 17,-1.4 3,-0.1 -1,-0.3 0.672 79.4 130.0 80.1 18.7 26.3 88.1 140.9 199 200 A F S < S+ 0 0 1 -3,-1.7 17,-0.3 15,-0.2 2,-0.2 0.820 71.1 53.5 -71.5 -28.0 27.2 84.8 139.4 200 201 A F S S- 0 0 79 -4,-0.2 15,-0.1 1,-0.1 2,-0.1 -0.560 102.1 -84.5-102.9 168.6 24.1 85.1 137.3 201 202 A A - 0 0 28 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.1 -0.391 38.8-117.0 -70.8 149.7 22.8 87.8 134.9 202 203 A D - 0 0 123 1,-0.1 -1,-0.1 -4,-0.1 4,-0.1 0.248 34.3-121.2 -73.8 12.5 20.9 90.7 136.5 203 204 A Y S S+ 0 0 220 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.552 115.9 48.7 59.9 3.9 17.5 90.0 134.7 204 205 A S S S+ 0 0 89 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.187 83.8 121.8-146.4 -4.7 17.9 93.5 133.3 205 206 A C - 0 0 22 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.516 63.7-127.1 -70.1 125.8 21.5 93.0 132.3 206 207 A K > - 0 0 118 -2,-0.3 3,-2.5 1,-0.1 4,-0.4 -0.485 21.8-111.8 -75.6 144.2 22.0 93.6 128.6 207 208 A P T 3 S+ 0 0 25 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.619 115.7 60.9 -50.0 -18.5 23.7 90.9 126.5 208 209 A Q T 3 S+ 0 0 37 1,-0.2 3,-0.3 95,-0.1 99,-0.2 0.770 105.4 50.4 -79.7 -24.6 26.8 93.0 125.9 209 210 A D S X> S+ 0 0 17 -3,-2.5 4,-3.3 1,-0.2 3,-1.8 0.414 79.6 92.8 -93.0 -0.4 27.3 93.0 129.7 210 211 A F T 34 S+ 0 0 3 -4,-0.4 4,-0.5 -3,-0.3 7,-0.2 0.943 92.2 45.8 -55.9 -46.6 27.0 89.3 130.4 211 212 A E T 34 S+ 0 0 20 -4,-0.3 -1,-0.3 -3,-0.3 10,-0.2 0.324 120.9 41.8 -80.0 8.7 30.8 89.0 130.0 212 213 A R T <4 S+ 0 0 106 -3,-1.8 -2,-0.2 5,-0.1 -1,-0.2 0.722 117.7 34.4-119.6 -45.7 31.2 92.1 132.2 213 214 A K S < S+ 0 0 117 -4,-3.3 2,-0.4 4,-0.1 -2,-0.1 0.087 101.6 85.3-105.4 24.4 28.8 92.0 135.2 214 215 A T S > S- 0 0 3 -4,-0.5 3,-1.1 -5,-0.2 -15,-0.2 -0.949 82.2-119.9-125.0 141.7 28.8 88.3 135.7 215 216 A I T 3 S+ 0 0 7 -17,-1.4 4,-0.4 -2,-0.4 -16,-0.1 0.904 114.1 36.5 -48.5 -58.2 31.4 86.4 137.8 216 217 A L T 3> S+ 0 0 3 -17,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.558 97.8 101.7 -74.6 -3.8 32.8 84.1 135.2 217 218 A G H <> S+ 0 0 0 -3,-1.1 4,-0.8 1,-0.2 3,-0.4 0.911 75.7 40.6 -42.1 -75.9 32.4 87.0 132.8 218 219 A P H >4 S+ 0 0 9 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.861 117.8 45.4 -48.4 -47.7 35.9 88.5 132.4 219 220 A I H >4 S+ 0 0 2 -4,-0.4 3,-1.1 1,-0.2 -2,-0.2 0.850 104.8 60.0 -73.1 -30.2 37.9 85.3 132.2 220 221 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 -3,-0.4 93,-0.2 0.716 104.2 56.2 -66.8 -15.4 35.5 83.5 129.8 221 222 A S T << S+ 0 0 11 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.597 70.5 120.4 -91.9 -13.8 36.3 86.4 127.4 222 223 A L < + 0 0 0 -3,-1.1 -56,-0.1 -4,-0.4 -3,-0.0 -0.365 44.8 128.5 -53.8 117.7 40.1 86.1 127.3 223 224 A S > - 0 0 2 -2,-0.2 3,-0.6 1,-0.0 -56,-0.4 -0.974 67.8-119.3-170.7 155.1 40.8 85.5 123.6 224 225 A P T 3 S+ 0 0 7 0, 0.0 233,-0.1 0, 0.0 -2,-0.1 0.559 102.9 71.3 -80.3 -5.9 42.8 86.6 120.5 225 226 A I T 3 S+ 0 0 8 229,-0.1 2,-0.5 4,-0.1 84,-0.3 -0.088 70.5 113.4 -99.7 37.0 39.7 87.6 118.5 226 227 A E S X> S- 0 0 53 -3,-0.6 4,-2.7 1,-0.1 3,-0.7 -0.914 75.7-125.0-104.5 130.0 39.1 90.7 120.7 227 228 A A H 3> S+ 0 0 38 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.869 108.3 55.7 -43.3 -49.5 39.6 93.9 118.8 228 229 A A H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 113.2 40.9 -52.4 -46.8 42.1 95.3 121.3 229 230 A V H <> S+ 0 0 1 -3,-0.7 4,-2.8 -6,-0.2 5,-0.3 0.910 111.1 58.4 -67.6 -42.9 44.3 92.2 120.9 230 231 A A H X>S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-1.1 0.890 110.9 39.0 -56.3 -46.0 43.8 92.1 117.2 231 232 A I H <5S+ 0 0 64 -4,-2.3 5,-0.3 3,-0.2 -1,-0.2 0.830 113.8 55.4 -77.3 -30.4 45.1 95.6 116.5 232 233 A R H <5S+ 0 0 153 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.932 120.5 31.1 -64.8 -45.8 47.9 95.3 119.0 233 234 A N H <5S+ 0 0 39 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.902 141.4 10.3 -81.3 -43.0 49.2 92.1 117.4 234 235 A Y T ><5S+ 0 0 5 -4,-2.7 3,-1.6 -5,-0.3 -3,-0.2 0.767 115.4 65.9-109.0 -34.0 48.3 92.6 113.7 235 236 A G T 3 - 0 0 44 1,-0.1 4,-3.4 4,-0.0 5,-0.3 -0.249 31.4-107.1 -71.7 159.1 54.7 88.9 104.9 242 243 A K H > S+ 0 0 171 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.857 120.8 54.3 -52.3 -38.7 52.9 85.6 105.1 243 244 A Q H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.966 113.4 37.8 -61.8 -56.4 55.8 84.3 107.1 244 245 A Q H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.865 118.7 51.2 -63.8 -37.4 55.8 87.0 109.8 245 246 A T H X S+ 0 0 14 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.944 109.5 49.3 -63.5 -49.6 52.0 87.0 109.7 246 247 A A H X S+ 0 0 43 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.800 106.5 61.2 -59.8 -29.6 51.9 83.2 110.2 247 248 A X H X S+ 0 0 105 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.988 104.3 43.1 -60.4 -62.8 54.4 83.8 113.0 248 249 A I 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2,-0.2 -2,-0.2 0.831 105.3 59.0 -63.9 -32.9 26.5 64.6 116.8 476 477 A S H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.978 104.2 48.9 -58.8 -57.7 25.8 63.3 113.3 477 478 A T H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.902 110.5 53.0 -49.2 -45.2 25.9 59.7 114.5 478 479 A F H X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.934 108.6 47.9 -59.5 -47.0 23.6 60.7 117.3 479 480 A L H >X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 3,-0.6 0.912 107.1 56.6 -62.2 -40.4 21.0 62.2 115.1 480 481 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 3,-0.8 0.940 106.0 51.7 -54.9 -45.8 21.1 59.2 112.7 481 482 A R H 3< S+ 0 0 33 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.792 105.1 56.5 -61.1 -27.2 20.2 57.1 115.8 482 483 A V H << S+ 0 0 0 -4,-1.2 40,-0.5 -3,-0.6 -1,-0.2 0.776 113.5 39.6 -76.0 -25.9 17.3 59.4 116.5 483 484 A V H << S+ 0 0 5 -4,-1.5 -2,-0.2 -3,-0.8 -3,-0.1 0.940 89.3 101.8 -82.8 -57.2 15.9 58.8 113.1 484 485 A D S < S- 0 0 4 -4,-3.0 5,-0.1 -5,-0.2 10,-0.0 0.044 74.2-137.6 -31.9 108.5 16.6 55.1 112.9 485 486 A P S S+ 0 0 90 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.878 103.5 40.8 -38.7 -55.7 13.2 53.4 113.7 486 487 A E S S- 0 0 98 6,-0.0 2,-1.4 1,-0.0 3,-0.2 -0.874 102.3-133.6 -96.0 100.8 15.0 50.9 116.0 487 488 A H + 0 0 81 -2,-1.0 -6,-0.1 1,-0.2 -5,-0.1 -0.398 68.3 114.6 -62.8 92.3 17.4 53.3 117.6 488 489 A E >> + 0 0 87 -2,-1.4 4,-1.8 4,-0.2 3,-1.7 0.361 41.9 159.2-141.4 0.8 20.6 51.3 117.3 489 490 A F T 34 + 0 0 8 1,-0.3 4,-0.1 2,-0.2 -8,-0.1 -0.414 61.8 23.1 -67.7 149.4 23.0 53.1 115.0 490 491 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.916 125.6 52.7 -94.0 18.3 25.9 53.0 114.6 491 492 A F T <4 S+ 0 0 125 -3,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.988 120.2 28.9 -71.3 -61.3 25.8 49.5 116.1 492 493 A K S < S- 0 0 103 -4,-1.8 -1,-0.3 -6,-0.1 -4,-0.2 -0.900 99.8-114.2-101.6 124.1 23.2 48.1 113.8 493 494 A Q - 0 0 78 -2,-0.5 2,-0.4 -3,-0.2 -1,-0.1 0.168 28.8-114.5 -46.8 170.6 23.1 49.7 110.3 494 495 A I - 0 0 11 -4,-0.1 2,-0.5 -6,-0.0 -1,-0.1 -0.912 16.4-134.5-118.0 142.5 20.1 51.8 109.2 495 496 A K - 0 0 144 -2,-0.4 113,-0.0 3,-0.0 0, 0.0 -0.854 27.7-133.9-100.8 123.2 17.7 51.0 106.3 496 497 A L S S+ 0 0 5 -2,-0.5 2,-0.1 2,-0.1 71,-0.0 -0.909 78.2 50.9-117.6 145.7 16.7 53.8 103.9 497 498 A P - 0 0 40 0, 0.0 4,-0.1 0, 0.0 70,-0.1 0.561 64.8-161.9 -73.7 154.5 14.2 54.9 102.7 498 499 A L S S+ 0 0 42 1,-0.2 -2,-0.1 -2,-0.1 69,-0.0 0.904 84.4 24.7 -71.8 -43.3 12.3 55.2 106.0 499 500 A I S S- 0 0 27 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.968 110.5 -86.2-120.8 140.8 9.0 55.3 104.1 500 501 A P - 0 0 111 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.032 51.7-101.9 -44.1 141.8 8.7 53.8 100.6 501 502 A D - 0 0 45 1,-0.1 2,-1.2 -4,-0.1 3,-0.2 -0.382 40.6 -98.5 -67.6 147.0 9.7 56.1 97.8 502 503 A Q > + 0 0 41 1,-0.2 3,-0.6 -3,-0.1 -1,-0.1 -0.551 44.9 167.8 -73.0 94.4 6.9 57.7 95.9 503 504 A I T 3 S+ 0 0 177 -2,-1.2 2,-1.3 1,-0.4 3,-0.3 0.906 95.5 46.7 -65.9 -40.6 6.4 55.6 92.7 504 505 A G T 3 S+ 0 0 41 -3,-0.2 -1,-0.4 1,-0.2 3,-0.1 -0.691 75.6 136.7 -97.4 73.5 3.3 57.8 92.7 505 506 A V < + 0 0 22 -2,-1.3 2,-1.7 -3,-0.6 -1,-0.2 0.482 47.3 90.8 -95.4 -9.7 5.4 60.9 93.5 506 507 A E S S+ 0 0 136 -3,-0.3 2,-0.2 3,-0.1 -1,-0.2 -0.456 70.6 105.9 -85.2 61.8 3.3 62.7 90.9 507 508 A N S S- 0 0 100 -2,-1.7 3,-0.2 1,-0.1 2,-0.2 -0.631 80.4 -53.8-128.3-172.6 0.8 63.9 93.4 508 509 A V S S- 0 0 122 1,-0.2 5,-0.2 -2,-0.2 -1,-0.1 -0.470 94.3 -56.7 -65.8 131.7 -0.4 66.9 95.4 509 510 A D >> - 0 0 98 1,-0.2 3,-1.1 -2,-0.2 4,-0.5 0.344 47.8-146.0 -13.6 109.0 2.5 68.5 97.2 510 511 A N H 3> S+ 0 0 8 1,-0.3 4,-4.1 -3,-0.2 5,-0.4 0.698 77.8 105.3 -59.4 -17.8 3.9 65.7 99.4 511 512 A A H 3> S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.802 86.5 34.0 -28.8 -56.8 4.6 68.6 101.8 512 513 A D H <> S+ 0 0 120 -3,-1.1 4,-1.6 2,-0.2 -1,-0.3 0.877 120.3 49.3 -72.9 -40.4 1.7 67.5 104.0 513 514 A F H X S+ 0 0 88 -4,-0.5 4,-1.4 -5,-0.2 -2,-0.2 0.943 113.3 47.2 -63.8 -47.9 2.0 63.8 103.4 514 515 A L H >< S+ 0 0 15 -4,-4.1 3,-0.7 1,-0.2 4,-0.4 0.935 109.8 51.8 -60.1 -50.4 5.7 63.9 104.1 515 516 A R H >< S+ 0 0 56 -4,-2.0 3,-0.7 -5,-0.4 -1,-0.2 0.847 109.3 52.1 -56.1 -34.9 5.3 65.9 107.3 516 517 A A H 3< S+ 0 0 71 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.816 114.3 42.3 -72.3 -28.6 2.8 63.4 108.5 517 518 A H T << S+ 0 0 93 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.223 86.0 121.3-102.9 14.7 5.2 60.5 107.9 518 519 A A S < S- 0 0 7 -3,-0.7 52,-0.1 -4,-0.4 5,-0.0 -0.525 81.5 -76.3 -78.2 145.0 8.3 62.1 109.3 519 520 A P > - 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.158 44.2-123.8 -45.5 121.1 10.1 60.3 112.2 520 521 A V T 4 S+ 0 0 94 1,-0.2 4,-0.1 2,-0.2 -37,-0.1 0.700 103.2 27.0 -39.3 -43.2 8.1 60.9 115.4 521 522 A P T >4 S+ 0 0 18 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.923 118.6 53.2 -89.2 -55.1 11.0 62.3 117.5 522 523 A F G >4 S+ 0 0 0 -40,-0.5 3,-1.7 1,-0.3 -166,-0.3 0.756 95.9 68.1 -47.3 -38.4 13.3 63.9 114.8 523 524 A K G 3< S+ 0 0 14 -4,-2.4 -166,-1.6 1,-0.3 -1,-0.3 0.728 99.5 50.6 -61.1 -21.2 10.6 66.0 113.2 524 525 A Y G < S+ 0 0 26 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.431 83.4 116.4 -98.1 1.7 10.3 68.2 116.2 525 526 A Y S < S- 0 0 1 -3,-1.7 -169,-2.9 -4,-0.3 -168,-0.2 -0.406 76.4 -99.3 -69.2 141.7 14.0 68.9 116.5 526 527 A P B > -C 355 0B 0 0, 0.0 3,-1.3 0, 0.0 -171,-0.3 -0.350 26.3-126.5 -64.6 144.0 15.1 72.6 116.1 527 528 A E T >> S+ 0 0 18 -173,-2.8 3,-2.2 1,-0.3 4,-1.9 0.790 102.9 70.9 -60.1 -33.2 16.5 73.4 112.7 528 529 A F H 3> S+ 0 0 4 -174,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.783 80.5 76.1 -59.0 -24.7 19.7 74.9 114.0 529 530 A V H <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.815 110.8 27.6 -53.8 -31.0 20.7 71.3 115.0 530 531 A V H <> S+ 0 0 2 -3,-2.2 4,-1.6 -4,-0.3 -2,-0.2 0.746 118.9 55.3-103.0 -31.2 21.4 70.9 111.2 531 532 A E H X S+ 0 0 37 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.913 102.1 58.3 -69.8 -41.6 22.2 74.5 110.2 532 533 A G H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.954 109.2 42.5 -51.3 -59.0 25.0 74.9 112.8 533 534 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.908 117.3 47.4 -56.5 -44.7 27.1 71.9 111.5 534 535 A V H X S+ 0 0 1 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.945 111.1 48.9 -65.3 -48.8 26.5 72.8 107.8 535 536 A N H X S+ 0 0 18 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.945 115.2 44.7 -56.7 -51.0 27.3 76.5 108.1 536 537 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 5,-0.4 0.969 114.7 49.4 -56.0 -56.0 30.5 75.8 110.0 537 538 A S H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.3 -2,-0.2 0.891 111.9 45.7 -53.2 -49.2 31.6 73.0 107.7 538 539 A L H < S+ 0 0 38 -4,-3.1 -1,-0.3 -5,-0.2 4,-0.2 0.891 116.4 52.4 -62.4 -34.1 31.0 75.0 104.5 539 540 A Y H >< S+ 0 0 5 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.992 108.9 40.3 -66.2 -67.3 32.9 77.8 106.2 540 541 A I H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.585 94.3 87.7 -62.3 -7.3 36.2 76.3 107.5 541 542 A S T 3< S+ 0 0 29 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.745 79.2 63.0 -63.8 -19.1 36.4 74.4 104.2 542 543 A K T < S+ 0 0 101 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.515 86.4 99.0 -82.5 -3.8 38.1 77.5 102.8 543 544 A Y S X S- 0 0 24 -3,-2.0 3,-2.0 1,-0.1 -83,-0.0 -0.673 73.9-137.6 -91.9 140.5 41.0 77.0 105.2 544 545 A Q T 3 S+ 0 0 188 -2,-0.3 -1,-0.1 1,-0.3 -84,-0.1 0.821 110.5 45.4 -56.5 -33.7 44.3 75.4 104.4 545 546 A T T 3 S+ 0 0 44 -5,-0.1 -1,-0.3 -86,-0.0 -80,-0.1 -0.012 80.6 164.8-102.7 26.5 44.0 73.7 107.7 546 547 A S < - 0 0 9 -3,-2.0 3,-0.4 1,-0.2 -5,-0.1 -0.150 36.5-143.2 -45.4 134.5 40.4 72.6 107.5 547 548 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.856 98.5 66.3 -68.9 -34.5 39.7 70.0 110.2 548 549 A I S > S+ 0 0 1 2,-0.1 3,-1.6 -11,-0.1 2,-0.3 0.796 74.6 106.2 -56.0 -34.4 37.4 68.3 107.7 549 550 A F T 3 S- 0 0 78 -3,-0.4 50,-0.0 1,-0.3 38,-0.0 -0.322 107.8 -28.3 -58.9 115.7 40.3 67.4 105.4 550 551 A R T 3 S+ 0 0 138 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.720 88.8 164.1 49.8 25.8 41.0 63.7 105.7 551 552 A N X - 0 0 11 -3,-1.6 3,-1.9 1,-0.1 -1,-0.2 -0.590 44.8-126.8 -71.3 130.2 39.7 63.7 109.3 552 553 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.437 103.7 54.5 -60.5 0.5 39.0 60.1 110.2 553 554 A R T >> + 0 0 27 1,-0.1 3,-1.5 2,-0.1 4,-0.6 0.392 68.5 108.8-116.5 4.7 35.4 60.8 111.2 554 555 A L H X> + 0 0 3 -3,-1.9 4,-2.7 1,-0.3 3,-1.7 0.862 69.0 69.4 -47.0 -44.2 34.1 62.5 108.0 555 556 A G H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.870 90.8 60.1 -44.0 -44.6 32.0 59.4 107.2 556 557 A S H <> S+ 0 0 17 -3,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.846 113.2 37.2 -55.9 -34.5 29.7 60.1 110.2 557 558 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.7 0.908 109.0 46.8 -62.9 -42.8 20.5 60.4 104.8 564 565 A V H 3< S+ 0 0 2 -4,-2.1 7,-0.3 -3,-0.4 -1,-0.2 0.866 113.2 50.0 -66.3 -36.8 18.8 63.9 104.8 565 566 A L H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.2 55,-0.2 0.530 112.3 49.8 -79.5 -6.4 19.3 64.1 101.0 566 567 A R H << S+ 0 0 20 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.813 107.2 48.2-101.5 -37.2 17.7 60.7 100.6 567 568 A C >< - 0 0 0 -4,-2.0 3,-2.3 -5,-0.1 4,-0.4 -0.843 66.3-160.8-113.9 97.9 14.5 60.9 102.7 568 569 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -50,-0.1 0.548 85.3 66.0 -48.5 -16.7 12.5 64.1 101.8 569 570 A E T 3 S+ 0 0 3 1,-0.1 3,-0.2 -52,-0.1 -51,-0.1 0.685 84.8 72.2 -86.7 -17.2 10.5 63.9 105.1 570 571 A L S < S+ 0 0 0 -3,-2.3 2,-0.5 1,-0.2 -1,-0.1 0.991 111.6 11.7 -60.6 -67.8 13.5 64.4 107.4 571 572 A V - 0 0 1 -4,-0.4 -1,-0.2 -7,-0.3 -214,-0.2 -0.956 61.4-166.1-119.4 118.9 14.1 68.2 106.9 572 573 A S + 0 0 56 -216,-2.2 -215,-0.1 -2,-0.5 -1,-0.1 0.850 60.7 98.8 -70.0 -36.9 11.6 70.3 105.0 573 574 A N > - 0 0 35 -217,-0.6 4,-2.1 1,-0.2 5,-0.2 -0.351 50.2-171.8 -59.3 111.1 13.8 73.3 104.4 574 575 A P H > S+ 0 0 26 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.752 84.5 59.3 -76.3 -24.0 15.2 73.1 100.8 575 576 A H H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.937 108.3 47.5 -68.2 -43.1 17.5 76.1 101.3 576 577 A L H >> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 3,-1.5 0.972 111.5 47.1 -60.3 -56.9 19.1 74.1 104.1 577 578 A K H 3X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.768 104.4 66.4 -57.1 -22.6 19.4 70.9 102.1 578 579 A G H 3X S+ 0 0 7 -4,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.896 100.6 47.1 -65.0 -38.7 20.8 73.2 99.5 579 580 A K H X S+ 0 0 2 -4,-1.8 3,-1.5 -3,-0.3 4,-1.4 0.975 106.3 52.7 -66.3 -53.6 29.2 70.7 101.0 584 585 A L H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.4 56.5 -49.2 -35.8 29.2 67.3 99.3 585 586 A S H >X S+ 0 0 9 -4,-1.1 4,-1.7 1,-0.2 3,-1.1 0.829 101.0 56.9 -69.4 -29.1 30.3 69.1 96.1 586 587 A V H << S+ 0 0 46 -3,-1.5 12,-0.3 -4,-1.0 -1,-0.2 0.845 107.1 48.7 -69.1 -32.3 33.3 70.5 98.0 587 588 A G T 3< S+ 0 0 0 -4,-1.4 12,-1.9 1,-0.2 13,-0.7 0.362 111.0 51.8 -87.2 5.4 34.4 67.0 98.8 588 589 A A T <4 S+ 0 0 0 -3,-1.1 9,-0.6 -5,-0.2 -2,-0.2 0.686 78.7 108.2-108.5 -31.5 34.0 66.0 95.2 589 590 A X S < S- 0 0 92 -4,-1.7 9,-0.3 1,-0.1 2,-0.2 -0.193 79.0-113.7 -47.1 130.0 36.0 68.7 93.6 590 591 A P - 0 0 44 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.507 29.3-112.9 -72.9 139.6 39.2 67.1 92.3 591 592 A L > - 0 0 51 4,-2.0 3,-2.1 5,-0.2 6,-0.1 -0.176 34.7-102.8 -59.7 165.2 42.4 68.3 94.1 592 593 A T T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.644 126.2 69.3 -68.1 -9.6 44.7 70.3 91.8 593 594 A D T 3 S- 0 0 122 2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.297 115.9-121.9 -85.0 6.5 46.7 67.0 91.7 594 595 A N < + 0 0 126 -3,-2.1 -2,-0.2 1,-0.2 3,-0.1 0.657 70.0 139.1 58.8 17.0 43.6 65.9 89.7 595 596 A S - 0 0 45 1,-0.2 -4,-2.0 0, 0.0 -1,-0.2 -0.544 65.7 -71.9 -87.1 155.2 43.3 63.2 92.4 596 597 A P - 0 0 64 0, 0.0 -5,-0.2 0, 0.0 -1,-0.2 -0.017 60.3 -93.3 -44.9 147.7 39.9 62.3 93.7 597 598 A G > - 0 0 4 -9,-0.6 3,-0.8 1,-0.1 4,-0.5 -0.156 40.8-104.5 -57.3 163.3 38.2 64.8 96.0 598 599 A F T 3 S+ 0 0 28 -12,-0.3 4,-0.2 -9,-0.3 -48,-0.1 0.626 122.9 46.9 -69.4 -10.7 38.8 64.3 99.7 599 600 A X T 3> S+ 0 0 2 -12,-1.9 4,-2.4 -10,-0.1 3,-0.3 0.577 86.4 89.6-102.1 -15.4 35.3 62.9 100.1 600 601 A X H <> S+ 0 0 5 -3,-0.8 4,-1.8 -13,-0.7 -2,-0.1 0.820 84.3 55.1 -51.5 -38.7 35.5 60.6 97.1 601 602 A D H > S+ 0 0 102 -4,-0.5 4,-2.3 2,-0.2 5,-0.3 0.931 109.7 45.0 -64.7 -45.8 36.8 57.7 99.1 602 603 A I H > S+ 0 0 32 -3,-0.3 4,-2.7 -4,-0.2 8,-0.3 0.924 108.7 57.8 -63.4 -43.1 34.0 57.8 101.6 603 604 A F H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.2 42.6 -51.9 -43.6 31.4 58.1 98.8 604 605 A E H < S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.949 125.5 25.6 -72.2 -51.7 32.7 54.9 97.4 605 606 A H H < S+ 0 0 117 -4,-2.3 2,-1.0 -5,-0.1 -2,-0.2 0.587 85.9 105.0 -95.8 -11.0 33.2 52.6 100.4 606 607 A D X - 0 0 29 -4,-2.7 4,-2.2 -5,-0.3 5,-0.4 -0.605 63.7-145.5 -76.3 107.8 30.8 53.9 103.1 607 608 A E H > S+ 0 0 112 -2,-1.0 4,-1.1 1,-0.2 5,-0.2 0.863 96.0 42.2 -30.0 -70.7 28.0 51.3 103.1 608 609 A L H >> S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.899 116.9 48.6 -50.8 -48.8 25.2 53.8 103.9 609 610 A V H >> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-1.3 0.981 109.9 46.2 -59.8 -62.4 26.5 56.4 101.5 610 611 A N H 3< S+ 0 0 34 -4,-2.2 -1,-0.2 -8,-0.3 -2,-0.2 0.589 111.0 55.5 -60.9 -10.0 27.1 54.4 98.3 611 612 A K H << S+ 0 0 113 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.772 125.1 17.8 -90.8 -28.5 23.7 52.7 98.6 612 613 A N H S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.904 115.6 46.8 -50.0 -49.4 23.1 58.6 93.7 615 616 A Y H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.935 111.1 52.3 -60.6 -46.3 19.4 58.2 94.2 616 617 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.922 109.5 49.2 -56.3 -47.3 19.3 61.1 96.7 617 618 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.942 113.0 45.8 -59.2 -48.4 21.1 63.4 94.3 618 619 A L H X S+ 0 0 1 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.864 114.8 47.6 -64.7 -36.1 18.8 62.6 91.3 619 620 A D H X S+ 0 0 16 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.892 112.9 48.0 -72.9 -38.1 15.7 63.0 93.4 620 621 A F H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.812 101.3 64.7 -72.0 -28.9 16.8 66.2 95.0 621 622 A Y H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.905 112.9 36.1 -58.2 -40.5 17.7 67.7 91.6 622 623 A V H >X S+ 0 0 22 -4,-1.0 3,-1.3 -3,-0.2 4,-0.6 0.916 111.5 58.5 -79.1 -47.4 14.0 67.4 90.8 623 624 A I H 3< S+ 0 0 21 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.768 94.1 64.9 -58.0 -29.5 12.6 68.3 94.1 624 625 A V T >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.799 90.0 68.6 -66.2 -25.7 14.2 71.8 94.4 625 626 A E T <4 S+ 0 0 55 -3,-1.3 2,-1.3 -4,-0.3 -1,-0.2 0.965 90.1 60.2 -54.7 -55.7 12.2 73.0 91.4 626 627 A K T 3< S+ 0 0 116 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.170 108.4 58.2 -61.9 24.2 8.9 72.9 93.3 627 628 A T < + 0 0 55 -2,-1.3 2,-0.1 -3,-1.2 -3,-0.1 -0.324 39.9 127.4-130.8-146.4 10.4 75.4 95.8 628 629 A G - 0 0 29 -2,-0.1 5,-0.2 1,-0.1 2,-0.1 -0.202 41.0-137.4 101.5 160.8 11.9 78.8 96.2 629 630 A S - 0 0 71 -2,-0.1 -1,-0.1 -54,-0.0 4,-0.1 -0.526 69.5 -28.8-159.7 85.8 10.6 81.3 98.8 630 631 A S S S- 0 0 119 1,-0.1 -2,-0.1 -2,-0.1 3,-0.0 0.995 134.5 -27.2 67.7 66.7 10.2 85.0 97.9 631 632 A S S S+ 0 0 119 1,-0.2 3,-0.5 2,-0.0 -1,-0.1 0.686 97.8 127.3 68.4 21.6 13.0 85.3 95.3 632 633 A Q + 0 0 54 1,-0.2 3,-0.5 2,-0.1 4,-0.4 -0.380 41.3 127.3 -95.1 45.3 15.0 82.4 96.9 633 634 A F > + 0 0 103 1,-0.2 3,-0.6 -5,-0.2 4,-0.4 0.842 52.7 56.6 -75.3 -42.0 14.7 81.6 93.2 634 635 A Y T 3> S+ 0 0 41 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.296 85.6 83.4 -80.0 12.3 18.3 80.9 92.3 635 636 A D H 3> S+ 0 0 35 -3,-0.5 4,-3.7 2,-0.2 5,-0.4 0.934 84.6 56.2 -77.2 -46.3 18.7 78.2 94.9 636 637 A K H <> S+ 0 0 24 -3,-0.6 4,-1.2 -4,-0.4 -1,-0.2 0.822 112.0 45.3 -53.9 -31.1 17.2 75.5 92.8 637 638 A F H > S+ 0 0 3 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.857 113.7 46.4 -82.2 -36.1 19.9 76.4 90.2 638 639 A N H X S+ 0 0 74 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.888 111.8 52.5 -72.7 -35.2 22.8 76.6 92.6 639 640 A S H X S+ 0 0 4 -4,-3.7 4,-2.6 1,-0.2 -1,-0.2 0.906 111.9 47.1 -64.1 -38.4 21.7 73.3 94.2 640 641 A R H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.4 -2,-0.2 0.889 105.8 56.8 -71.9 -35.6 21.7 71.8 90.7 641 642 A Y H X S+ 0 0 73 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.934 112.0 44.9 -58.5 -41.8 25.1 73.2 89.9 642 643 A S H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.946 111.0 50.3 -65.4 -51.6 26.3 71.4 92.9 643 644 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.880 108.5 56.4 -55.7 -37.3 24.5 68.1 92.2 644 645 A S H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.947 104.1 51.2 -60.3 -50.0 26.0 68.3 88.7 645 646 A I H X S+ 0 0 11 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.935 112.7 45.3 -52.4 -52.9 29.6 68.5 90.0 646 647 A I H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.928 114.3 49.8 -56.6 -47.4 29.1 65.5 92.2 647 648 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.912 109.6 50.1 -60.3 -46.4 27.4 63.6 89.4 648 649 A E H X S+ 0 0 19 -4,-3.2 4,-1.2 2,-0.2 -1,-0.2 0.945 117.8 39.8 -59.2 -48.4 30.1 64.4 86.8 649 650 A E H >X S+ 0 0 16 -4,-2.4 4,-2.4 -5,-0.2 3,-0.8 0.959 109.0 56.8 -67.8 -52.4 32.8 63.2 89.2 650 651 A L H 3X S+ 0 0 3 -4,-3.4 4,-1.0 1,-0.3 8,-0.5 0.821 110.6 50.3 -48.6 -28.7 31.1 60.2 90.7 651 652 A Y H 3< S+ 0 0 13 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.819 113.1 42.1 -80.8 -33.2 30.8 59.1 87.0 652 653 A Y H << S+ 0 0 109 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.1 0.936 125.1 29.8 -77.2 -49.4 34.4 59.6 86.1 653 654 A K H < S+ 0 0 70 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.487 112.5 54.3 -95.4 -4.9 36.1 58.2 89.1 654 655 A I >X - 0 0 3 -4,-1.0 3,-2.1 -5,-0.4 4,-1.5 -0.657 49.7-170.6-137.3 88.4 33.9 55.5 90.6 655 656 A P H 3> S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.842 87.8 69.7 -38.1 -42.2 32.7 52.6 88.5 656 657 A S H 3> S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -5,-0.1 0.890 106.6 36.5 -44.2 -48.8 30.4 51.6 91.3 657 658 A Y H <> S+ 0 0 4 -3,-2.1 4,-2.5 -7,-0.3 -1,-0.2 0.902 109.1 60.4 -74.1 -44.3 28.3 54.8 90.7 658 659 A K H X S+ 0 0 66 -4,-1.5 4,-1.8 -8,-0.5 -1,-0.2 0.843 107.3 51.1 -51.7 -33.3 28.5 54.7 86.9 659 660 A N H X S+ 0 0 107 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.2 0.940 106.4 51.1 -70.4 -48.5 26.9 51.4 87.2 660 661 A Q H X S+ 0 0 46 -4,-1.3 4,-3.3 -5,-0.2 -2,-0.2 0.862 108.7 53.4 -57.8 -38.5 24.0 52.6 89.4 661 662 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.995 112.0 42.9 -57.8 -64.6 23.3 55.4 86.9 662 663 A I H X S+ 0 0 39 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.874 115.7 50.4 -46.7 -47.2 23.0 53.0 84.0 663 664 A W H >X S+ 0 0 137 -4,-3.0 4,-3.7 1,-0.2 3,-1.6 0.977 108.0 52.3 -56.4 -57.3 21.0 50.6 86.1 664 665 A Q H 3X S+ 0 0 19 -4,-3.3 4,-1.6 1,-0.3 8,-0.4 0.861 107.1 53.5 -46.3 -44.5 18.7 53.3 87.2 665 666 A S H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.727 119.7 32.9 -67.0 -24.7 18.0 54.3 83.5 666 667 A Q H << S+ 0 0 132 -3,-1.6 3,-0.3 -4,-1.1 -2,-0.2 0.812 127.1 35.6 -99.8 -41.6 17.0 50.8 82.6 667 668 A N H < S+ 0 0 94 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.494 134.5 22.5 -93.5 -3.6 15.4 49.4 85.7 668 669 A N >X + 0 0 55 -4,-1.6 4,-2.0 -5,-0.5 3,-1.8 -0.048 68.2 152.4-154.6 40.2 13.7 52.7 86.8 669 670 A A H 3> S+ 0 0 44 -3,-0.3 4,-3.9 1,-0.3 5,-0.4 0.802 71.7 63.5 -45.1 -39.4 13.4 54.9 83.7 670 671 A D H 3> S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.902 111.5 38.2 -55.8 -38.6 10.3 56.7 85.1 671 672 A F H <> S+ 0 0 13 -3,-1.8 4,-1.3 -7,-0.2 -2,-0.2 0.852 118.2 48.0 -78.9 -38.7 12.6 58.0 87.9 672 673 A F H X S+ 0 0 2 -4,-2.0 4,-2.4 -8,-0.4 -2,-0.2 0.843 112.0 50.6 -71.4 -33.4 15.6 58.5 85.7 673 674 A V H X S+ 0 0 12 -4,-3.9 4,-2.7 -5,-0.3 5,-0.2 0.873 102.4 59.5 -71.8 -36.6 13.5 60.3 83.1 674 675 A R H X S+ 0 0 38 -4,-1.3 4,-1.3 -5,-0.4 -1,-0.2 0.920 111.1 44.7 -56.2 -42.3 12.0 62.6 85.7 675 676 A F H >X S+ 0 0 1 -4,-1.3 4,-1.9 2,-0.2 3,-0.5 0.974 114.1 43.8 -66.6 -59.1 15.5 63.7 86.4 676 677 A V H 3X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.813 108.2 62.7 -61.0 -25.5 16.8 64.1 82.8 677 678 A A H 3X S+ 0 0 29 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.924 105.2 44.5 -64.0 -45.8 13.5 65.9 81.9 678 679 A R H X S+ 0 0 48 -4,-2.8 3,-2.5 1,-0.3 4,-0.7 0.938 110.0 52.1 -50.4 -56.3 13.8 71.9 80.4 682 683 A D H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 3,-0.9 0.858 103.2 60.7 -50.3 -37.7 16.3 74.1 82.2 683 684 A L H 3< S+ 0 0 2 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.3 0.629 90.8 68.4 -68.4 -12.3 18.7 73.8 79.2 684 685 A T H << S+ 0 0 42 -3,-2.5 -1,-0.2 -4,-0.6 -2,-0.2 0.876 119.1 17.4 -74.3 -33.3 16.1 75.4 77.0 685 686 A F H S+ 0 0 1 -4,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.866 114.4 58.4 -56.7 -31.1 22.2 79.8 78.0 688 689 A D H > S+ 0 0 47 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.935 113.0 32.9 -65.0 -48.6 19.6 82.3 77.0 689 690 A E H X S+ 0 0 55 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.828 114.0 58.6 -80.3 -30.2 19.3 84.2 80.2 690 691 A G H X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.4 -1,-0.2 0.924 110.5 46.9 -60.1 -37.6 23.0 83.7 81.0 691 692 A L H X S+ 0 0 14 -4,-1.7 4,-0.8 -5,-0.4 -2,-0.2 0.787 114.3 46.2 -70.5 -30.7 23.4 85.5 77.7 692 693 A S H X S+ 0 0 82 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.840 110.4 50.3 -81.9 -38.7 20.9 88.2 78.6 693 694 A N H X S+ 0 0 28 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.813 110.7 54.4 -66.9 -29.5 22.2 88.9 82.1 694 695 A L H < S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.796 100.8 56.2 -73.1 -33.0 25.5 89.2 80.3 695 696 A A H >X S+ 0 0 40 -4,-0.8 4,-1.4 1,-0.2 3,-0.5 0.855 109.6 49.2 -66.9 -33.2 24.3 91.8 77.9 696 697 A E H 3X S+ 0 0 73 -4,-1.3 4,-2.1 2,-0.2 5,-0.4 0.908 94.1 67.8 -71.6 -47.6 23.3 93.8 81.0 697 698 A V H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.3 81,-0.2 0.342 113.0 39.6 -58.4 15.0 26.6 93.5 82.8 698 699 A H H <> S+ 0 0 56 -3,-0.5 4,-1.1 -5,-0.1 -1,-0.3 0.529 105.6 58.9-130.7 -40.6 27.6 95.7 79.8 699 700 A N H X S+ 0 0 99 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.681 115.4 43.0 -65.8 -15.8 24.6 98.0 79.5 700 701 A I H < S+ 0 0 7 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.817 110.1 50.2 -96.0 -42.6 25.5 98.9 83.0 701 702 A Q H 4 S+ 0 0 87 -5,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.644 108.5 63.8 -68.4 -11.3 29.3 99.2 82.7 702 703 A N H < S+ 0 0 94 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.955 94.4 50.3 -76.3 -57.3 28.3 101.3 79.7 703 704 A E S < S+ 0 0 148 -4,-0.8 2,-1.2 1,-0.3 -1,-0.2 0.603 89.7 89.9 -59.8 -8.3 26.5 104.2 81.6 704 705 A L 0 0 61 -4,-0.5 -1,-0.3 1,-0.2 -3,-0.1 -0.218 360.0 360.0 -82.7 46.1 29.8 104.2 83.6 705 706 A D 0 0 197 -2,-1.2 -1,-0.2 -3,-0.1 -4,-0.0 -0.190 360.0 360.0 43.7 360.0 31.2 106.7 81.1 706 ! 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 0.0 707 719 A E >> 0 0 151 0, 0.0 4,-1.9 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 103.8 21.6 106.0 90.4 708 720 A D H 3> + 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.787 360.0 63.4 -38.8 -56.2 25.1 104.4 91.1 709 721 A K H 34 S+ 0 0 150 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.874 124.3 21.4 -41.0 -46.6 24.6 103.1 94.7 710 722 A E H <> S+ 0 0 87 -3,-1.2 4,-0.7 2,-0.2 -1,-0.3 0.549 115.9 69.2 -98.3 -14.1 21.8 100.8 93.3 711 723 A L H X S+ 0 0 40 -4,-1.9 4,-1.0 1,-0.2 -3,-0.2 0.754 106.0 43.0 -74.2 -25.6 23.1 100.9 89.7 712 724 A Q H X S+ 0 0 69 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.756 109.6 52.9 -91.7 -30.1 26.1 98.9 91.0 713 725 A T H 4 S+ 0 0 91 -4,-0.5 4,-0.4 -5,-0.4 -2,-0.2 0.665 109.7 53.3 -78.0 -14.7 24.2 96.5 93.2 714 726 A R H X S+ 0 0 146 -4,-0.7 4,-2.0 2,-0.2 3,-0.4 0.875 107.7 48.2 -81.6 -43.7 22.1 95.8 90.1 715 727 A L H X S+ 0 0 24 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.789 110.0 53.4 -66.8 -28.9 25.2 95.0 88.0 716 728 A A H X S+ 0 0 45 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.693 110.0 47.4 -78.7 -21.1 26.5 92.7 90.8 717 729 A S H > S+ 0 0 38 -3,-0.4 4,-1.5 -4,-0.4 -2,-0.2 0.789 112.1 51.4 -86.6 -32.0 23.2 90.8 90.7 718 730 A A H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 3,-0.3 0.968 110.5 45.1 -68.7 -55.2 23.3 90.6 87.0 719 731 A S H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.847 111.5 54.9 -60.1 -33.4 26.8 89.2 86.7 720 732 A R H X S+ 0 0 152 -4,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.889 109.0 46.9 -66.7 -38.4 26.0 86.7 89.5 721 733 A Q H X S+ 0 0 56 -4,-1.5 4,-1.1 -3,-0.3 -1,-0.2 0.704 112.5 52.4 -74.9 -21.1 23.0 85.4 87.6 722 734 A A H >X>S+ 0 0 0 -4,-1.4 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4,-2.3 1,-0.2 3,-0.4 -0.949 62.5-155.1-113.8 106.5 19.7 56.1 66.9 805 817 A S H > S+ 0 0 86 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.890 93.2 51.6 -49.2 -48.1 17.0 56.2 64.2 806 818 A E H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 111.1 48.2 -59.1 -40.2 14.4 57.9 66.4 807 819 A F H > S+ 0 0 0 -3,-0.4 4,-2.5 -6,-0.2 5,-0.3 0.945 112.8 45.1 -67.3 -49.7 16.9 60.7 67.4 808 820 A I H X S+ 0 0 19 -4,-2.3 4,-1.8 -7,-0.3 -2,-0.2 0.899 113.0 54.0 -62.2 -37.4 18.0 61.5 63.8 809 821 A S H X S+ 0 0 16 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.957 110.1 45.9 -58.7 -52.3 14.4 61.3 62.8 810 822 A A H X S+ 0 0 3 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.897 110.8 51.3 -57.2 -47.9 13.4 63.9 65.5 811 823 A V H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.846 111.4 50.9 -59.8 -34.4 16.3 66.3 64.7 812 824 A A H < S+ 0 0 7 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.864 111.3 46.6 -72.4 -35.7 15.2 66.1 61.1 813 825 A K H < S+ 0 0 106 -4,-1.9 2,-1.5 -5,-0.1 -2,-0.2 0.518 78.4 111.9 -87.4 -4.1 11.6 66.9 61.9 814 826 A D X - 0 0 25 -4,-1.0 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