==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-AUG-11 3TE4 . COMPND 2 MOLECULE: DOPAMINE N ACETYLTRANSFERASE, ISOFORM A; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR K.C.CHENG,S.H.HUANG,P.C.LYU . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 1 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 2 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 21 A P 0 0 141 0, 0.0 59,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.8 8.2 54.2 2.7 2 22 A Y E -A 59 0A 47 57,-0.2 2,-0.3 58,-0.1 57,-0.2 -0.975 360.0-134.6-149.9 157.4 11.8 52.9 2.1 3 23 A T E -A 58 0A 66 55,-2.4 55,-2.3 -2,-0.3 2,-0.5 -0.794 11.0-139.4-111.7 157.3 13.7 50.2 0.2 4 24 A I E +A 57 0A 11 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.991 34.9 170.6-117.4 120.1 16.4 47.8 1.3 5 25 A E E -A 56 0A 80 51,-2.7 51,-2.7 -2,-0.5 2,-0.2 -0.929 39.0 -95.6-131.6 156.0 19.2 47.5 -1.3 6 26 A L E -A 55 0A 59 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.449 44.0-116.9 -67.9 133.4 22.6 46.0 -1.8 7 27 A I - 0 0 1 47,-2.8 47,-0.3 -2,-0.2 45,-0.1 -0.677 32.7-154.9 -74.9 124.1 25.4 48.5 -1.0 8 28 A Q > - 0 0 78 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.572 27.8-106.8 -97.3 165.2 27.4 49.1 -4.2 9 29 A P G > S+ 0 0 96 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.877 118.8 59.3 -66.8 -31.6 31.0 50.2 -4.3 10 30 A E G 3 S+ 0 0 143 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.596 93.6 69.2 -73.3 -5.1 30.1 53.6 -5.5 11 31 A D G <> + 0 0 23 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.467 68.6 101.1 -88.9 -2.5 28.0 54.0 -2.4 12 32 A G H <> S+ 0 0 11 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.899 80.3 47.1 -51.2 -51.4 31.0 54.2 -0.1 13 33 A E H > S+ 0 0 176 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.910 114.0 47.2 -58.9 -43.2 31.1 58.0 0.3 14 34 A A H > S+ 0 0 50 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.862 111.4 51.5 -68.7 -39.0 27.3 58.2 1.1 15 35 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.962 112.2 46.2 -59.9 -46.5 27.6 55.3 3.6 16 36 A I H X S+ 0 0 14 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.895 110.0 54.0 -64.5 -42.6 30.5 57.0 5.3 17 37 A A H X S+ 0 0 54 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.922 111.9 45.5 -57.8 -42.1 28.6 60.4 5.4 18 38 A M H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.952 113.2 48.4 -68.4 -45.5 25.6 58.7 7.0 19 39 A L H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 6,-0.5 0.887 107.5 55.5 -62.8 -38.3 27.7 56.8 9.5 20 40 A K H <5S+ 0 0 100 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 110.6 46.8 -62.5 -35.4 29.7 60.0 10.5 21 41 A T H <5S+ 0 0 81 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.881 133.7 6.8 -70.6 -40.7 26.3 61.7 11.2 22 42 A F T >X5S+ 0 0 25 -4,-2.2 3,-2.2 -5,-0.1 4,-1.5 0.746 128.0 36.1-107.4 -84.9 24.9 58.8 13.3 23 43 A F H 3>5S+ 0 0 24 1,-0.3 4,-2.1 2,-0.2 -3,-0.2 0.764 114.4 54.9 -47.8 -46.3 27.0 55.7 14.3 24 44 A F H 34 S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.848 110.8 41.5 -53.4 -42.2 27.5 53.7 22.8 29 49 A L H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 115.5 50.7 -73.3 -39.1 31.3 53.1 22.9 30 50 A N H >>S+ 0 0 3 2,-0.2 5,-1.6 1,-0.2 4,-1.3 0.909 114.5 44.4 -61.1 -42.8 32.0 55.8 20.2 31 51 A T H <5S+ 0 0 68 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.910 111.1 53.2 -71.6 -38.1 29.9 58.3 22.2 32 52 A F H <5S+ 0 0 83 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.913 118.1 36.8 -60.1 -43.0 31.4 57.3 25.5 33 53 A L H <5S- 0 0 18 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.640 104.3-128.0 -80.3 -18.7 35.0 57.9 24.1 34 54 A D T <5 - 0 0 117 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.999 28.2-163.1 57.5 69.7 33.9 60.9 22.0 35 55 A L < + 0 0 5 -5,-1.6 59,-0.2 -11,-0.4 58,-0.2 0.820 16.5 176.6 -63.8 -34.7 35.5 59.3 18.9 36 56 A G + 0 0 45 -12,-0.3 2,-0.2 -6,-0.2 -1,-0.2 -0.314 56.0 2.7 69.8-148.0 35.7 62.4 16.8 37 57 A E S S+ 0 0 151 1,-0.1 2,-0.2 -2,-0.0 3,-0.1 -0.520 73.3 174.0 -69.1 131.8 37.3 62.2 13.4 38 58 A C >> + 0 0 1 -2,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.641 20.6 174.7-148.3 87.2 38.3 58.6 12.9 39 59 A K H 3> S+ 0 0 118 1,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.818 84.1 63.2 -61.9 -30.5 39.7 57.6 9.5 40 60 A E H 3> S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 102.8 48.0 -62.8 -40.3 40.4 54.2 11.0 41 61 A L H <> S+ 0 0 4 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.876 109.0 54.0 -69.7 -33.6 36.6 53.6 11.5 42 62 A E H X S+ 0 0 20 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.952 111.6 45.5 -59.2 -47.4 36.0 54.8 8.0 43 63 A K H X S+ 0 0 150 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.917 112.2 50.8 -59.9 -47.5 38.5 52.2 6.7 44 64 A Y H < S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.3 48.1 -58.6 -38.3 36.9 49.5 9.0 45 65 A S H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.824 111.8 47.1 -73.7 -38.3 33.5 50.3 7.7 46 66 A L H >< S+ 0 0 69 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.766 93.7 81.2 -73.6 -27.7 34.4 50.3 4.0 47 67 A K T 3< S+ 0 0 172 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 91.3 45.8 -50.9 -48.5 36.3 47.0 4.3 48 68 A P T > S+ 0 0 5 0, 0.0 3,-2.2 0, 0.0 5,-0.4 0.656 86.3 92.0 -72.3 -14.2 33.4 44.6 4.1 49 69 A L G X S+ 0 0 11 -3,-1.4 3,-2.4 1,-0.3 5,-0.3 0.871 78.7 57.2 -55.1 -42.9 31.6 46.3 1.1 50 70 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.616 87.6 78.4 -69.4 -1.1 33.2 44.2 -1.7 51 71 A D G < S- 0 0 70 -3,-2.2 -2,-0.2 19,-0.2 20,-0.0 0.613 99.4-136.4 -74.6 -12.5 31.9 41.0 0.0 52 72 A N S < S+ 0 0 91 -3,-2.4 -3,-0.1 -4,-0.3 19,-0.1 0.862 77.4 99.0 64.5 35.9 28.6 42.0 -1.6 53 73 A C + 0 0 0 17,-0.4 2,-0.4 -5,-0.4 -1,-0.1 0.024 48.7 108.9-142.5 33.3 26.4 41.3 1.5 54 74 A S - 0 0 1 -47,-0.3 -47,-2.8 -5,-0.3 2,-0.3 -0.890 51.8-152.9-109.7 144.6 25.9 44.8 3.0 55 75 A Y E -AB 6 68A 19 13,-2.6 13,-2.5 -2,-0.4 2,-0.4 -0.894 9.9-160.0-127.2 144.8 22.6 46.5 2.9 56 76 A K E -AB 5 67A 24 -51,-2.7 -51,-2.7 -2,-0.3 2,-0.5 -0.954 13.2-142.9-116.1 144.4 21.2 50.1 2.9 57 77 A A E -AB 4 66A 0 9,-2.9 8,-3.1 -2,-0.4 9,-1.2 -0.912 24.7-167.3 -99.4 135.8 17.8 51.3 3.7 58 78 A V E -AB 3 64A 12 -55,-2.3 -55,-2.4 -2,-0.5 6,-0.2 -0.973 10.2-138.6-132.8 129.4 16.8 54.2 1.5 59 79 A N E > -A 2 0A 15 4,-2.4 3,-2.1 -2,-0.4 -57,-0.2 -0.116 40.0 -88.1 -82.2-178.7 13.9 56.6 1.9 60 80 A K T 3 S+ 0 0 184 -59,-0.6 -58,-0.1 1,-0.3 -1,-0.1 0.876 126.6 55.9 -60.9 -34.3 11.7 57.9 -0.8 61 81 A K T 3 S- 0 0 175 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.445 120.5-105.9 -75.6 -4.4 14.0 60.8 -1.6 62 82 A G S < S+ 0 0 54 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.582 73.8 140.0 89.5 12.0 16.9 58.5 -2.2 63 83 A E - 0 0 100 1,-0.1 -4,-2.4 2,-0.0 2,-0.4 -0.688 58.6-114.4 -90.0 137.9 18.7 59.2 1.1 64 84 A I E +B 58 0A 28 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.589 37.3 171.7 -71.1 124.1 20.4 56.4 3.1 65 85 A I E + 0 0 2 -8,-3.1 64,-3.0 -2,-0.4 2,-0.3 0.392 63.6 5.6-114.2 -2.2 18.5 56.1 6.4 66 86 A G E -BC 57 128A 0 -9,-1.2 -9,-2.9 62,-0.3 2,-0.3 -0.931 57.6-166.2-170.7 154.6 20.1 52.9 7.7 67 87 A V E -BC 56 127A 0 60,-2.5 60,-2.3 -2,-0.3 2,-0.4 -0.994 11.4-166.4-140.5 150.8 22.9 50.4 6.9 68 88 A F E -BC 55 126A 1 -13,-2.5 -13,-2.6 -2,-0.3 2,-0.5 -0.925 18.6-161.5-131.6 107.4 23.9 47.0 8.1 69 89 A L E - C 0 125A 0 56,-2.9 55,-2.3 -2,-0.4 56,-1.7 -0.843 14.8-178.3 -90.8 125.0 27.5 46.3 6.8 70 90 A N E - C 0 123A 0 -2,-0.5 -17,-0.4 53,-0.2 2,-0.3 -0.937 11.2-167.5-123.7 154.0 28.3 42.6 6.9 71 91 A G E - C 0 122A 0 51,-2.5 51,-3.1 -2,-0.3 2,-0.4 -0.930 27.8-112.1-136.3 149.8 31.4 40.5 6.0 72 92 A L E - C 0 121A 56 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.694 30.8-157.3 -77.7 132.7 32.0 36.8 5.5 73 93 A M E - C 0 120A 39 47,-2.9 47,-2.6 -2,-0.4 2,-0.4 -0.972 4.4-152.7-109.5 137.7 34.2 35.3 8.3 74 94 A R E - C 0 119A 150 -2,-0.4 45,-0.2 45,-0.2 3,-0.1 -0.825 27.8 -99.3-111.9 142.2 36.2 32.1 7.6 75 95 A R - 0 0 60 43,-2.4 -1,-0.1 -2,-0.4 43,-0.0 -0.328 53.6 -95.1 -50.3 132.6 37.2 29.5 10.1 76 96 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.228 45.2-109.7 -50.6 133.1 40.9 30.0 11.1 77 97 A S > - 0 0 64 1,-0.1 3,-2.1 -3,-0.1 -3,-0.0 -0.305 26.6-109.0 -55.6 154.8 43.2 27.8 9.0 78 98 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.807 124.8 42.0 -55.3 -30.9 44.9 25.0 10.8 79 99 A D T 3 S+ 0 0 127 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.015 88.1 153.6-103.8 25.8 48.2 27.0 10.4 80 100 A D < - 0 0 79 -3,-2.1 0, 0.0 1,-0.1 0, 0.0 -0.221 37.7-149.2 -62.8 144.2 46.6 30.4 11.3 81 101 A V - 0 0 121 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.928 23.5-136.9-112.9 100.4 48.7 33.1 12.7 82 102 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.291 22.0-164.4 -63.6 141.1 46.4 35.1 15.0 83 103 A E - 0 0 162 19,-0.0 2,-0.6 3,-0.0 3,-0.1 -0.974 19.0-128.1-128.9 145.2 46.7 38.9 14.8 84 104 A K > - 0 0 75 -2,-0.4 3,-1.2 1,-0.1 4,-0.3 -0.795 10.2-152.7 -91.7 124.5 45.5 41.7 17.0 85 105 A A G > S+ 0 0 49 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.839 93.7 63.7 -62.4 -32.9 43.5 44.4 15.1 86 106 A A G > S+ 0 0 3 12,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.722 86.2 73.0 -63.7 -24.5 44.5 47.0 17.7 87 107 A D G < S+ 0 0 114 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 100.0 43.1 -64.9 -26.1 48.2 46.6 16.8 88 108 A S G < S+ 0 0 99 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.234 92.7 99.7-106.9 14.0 47.9 48.5 13.5 89 109 A C < - 0 0 6 -3,-1.3 6,-0.0 -4,-0.1 -3,-0.0 -0.866 42.6-177.6-107.4 124.2 45.6 51.3 14.7 90 110 A E + 0 0 173 -2,-0.5 -1,-0.1 4,-0.0 3,-0.1 0.363 59.1 96.4 -97.1 -1.4 47.1 54.8 15.5 91 111 A H > - 0 0 28 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.863 66.9-151.6 -90.3 113.7 43.9 56.5 16.7 92 112 A P H > S+ 0 0 103 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.900 90.1 45.1 -64.5 -35.2 44.0 56.1 20.5 93 113 A K H >> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.953 115.5 45.3 -70.6 -46.4 40.2 56.1 21.0 94 114 A F H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 106.2 62.3 -65.4 -30.1 39.5 53.6 18.2 95 115 A K H 3X S+ 0 0 92 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 99.4 55.4 -62.8 -31.4 42.4 51.5 19.4 96 116 A K H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 3,-0.6 0.947 111.3 49.4 -57.0 -43.5 36.5 39.3 23.1 105 125 A E H 3< S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.838 107.7 54.1 -69.2 -31.4 38.1 37.1 20.3 106 126 A E H 3< S+ 0 0 100 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.790 116.7 38.7 -67.3 -29.5 40.8 35.9 22.7 107 127 A Q H << S+ 0 0 118 -4,-1.5 2,-0.4 -3,-0.6 -2,-0.2 0.730 126.6 26.1 -90.0 -24.9 38.1 34.8 25.2 108 128 A F < - 0 0 31 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 -0.976 56.0-165.5-151.6 122.7 35.6 33.4 22.7 109 129 A N >> - 0 0 56 -2,-0.4 3,-2.2 1,-0.1 4,-0.7 -0.940 12.2-155.0-113.5 113.3 35.8 32.0 19.2 110 130 A I H >> S+ 0 0 8 -2,-0.6 4,-1.1 1,-0.3 3,-0.9 0.800 94.3 65.0 -54.3 -31.9 32.5 31.7 17.4 111 131 A F H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.740 92.8 61.3 -68.2 -19.6 33.9 28.9 15.3 112 132 A D H <4 S+ 0 0 122 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 101.8 53.0 -68.8 -31.0 34.2 26.8 18.4 113 133 A V H << S+ 0 0 61 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.836 118.4 35.2 -73.0 -30.2 30.4 27.0 18.8 114 134 A Y >< + 0 0 28 -4,-1.1 3,-2.2 1,-0.1 -1,-0.3 -0.655 67.0 171.2-128.1 70.5 29.9 25.8 15.2 115 135 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 77.7 53.2 -59.2 -23.2 32.5 23.2 14.5 116 136 A D T 3 S+ 0 0 152 2,-0.0 2,-0.4 0, 0.0 -5,-0.0 0.479 90.1 94.3 -89.5 -6.7 30.9 22.1 11.2 117 137 A E < + 0 0 38 -3,-2.2 3,-0.1 -6,-0.2 -3,-0.1 -0.765 42.2 176.8 -93.1 134.4 30.7 25.7 9.7 118 138 A E S S+ 0 0 94 -2,-0.4 -43,-2.4 1,-0.3 2,-0.4 0.742 74.2 36.1-100.1 -29.5 33.5 27.0 7.5 119 139 A L E +C 74 0A 42 -45,-0.2 36,-0.5 34,-0.2 37,-0.4 -0.986 63.7 179.6-130.6 132.0 31.9 30.4 6.7 120 140 A I E -C 73 0A 0 -47,-2.6 -47,-2.9 -2,-0.4 2,-0.4 -0.978 30.0-119.2-128.3 145.4 29.8 32.6 9.0 121 141 A L E -Cd 72 157A 0 35,-2.5 37,-3.4 -2,-0.3 2,-0.6 -0.685 26.4-154.8 -86.5 133.0 28.2 36.0 8.2 122 142 A D E -Cd 71 158A 18 -51,-3.1 -51,-2.5 -2,-0.4 2,-0.9 -0.938 7.1-148.3-112.8 116.8 29.5 38.8 10.5 123 143 A G E +Cd 70 159A 5 35,-3.1 37,-0.5 -2,-0.6 -53,-0.2 -0.770 27.9 168.9 -86.2 106.7 27.3 41.8 11.1 124 144 A K E + 0 0 58 -55,-2.3 2,-0.4 -2,-0.9 -54,-0.2 0.844 56.4 18.1 -95.2 -42.7 29.9 44.5 11.6 125 145 A I E +C 69 0A 4 -56,-1.7 -56,-2.9 -80,-0.1 2,-0.4 -0.958 59.1 178.2-141.3 119.9 28.2 48.0 11.5 126 146 A L E +C 68 0A 45 -2,-0.4 2,-0.3 -58,-0.2 -58,-0.2 -0.987 13.6 157.8-126.4 123.6 24.5 48.6 12.1 127 147 A S E -C 67 0A 7 -60,-2.3 -60,-2.5 -2,-0.4 2,-0.4 -0.975 18.2-170.6-150.5 133.3 23.1 52.2 12.1 128 148 A V E -C 66 0A 14 -2,-0.3 -62,-0.3 -62,-0.2 5,-0.1 -0.989 36.9-104.2-127.4 135.2 19.7 53.7 11.6 129 149 A D > - 0 0 29 -64,-3.0 3,-2.4 -2,-0.4 4,-0.2 -0.332 32.7-122.7 -53.4 132.2 19.0 57.5 11.2 130 150 A T G > S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.810 109.9 57.8 -46.8 -40.6 17.4 58.8 14.5 131 151 A N G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.536 110.8 44.2 -72.3 -7.6 14.3 60.1 12.7 132 152 A Y G X S+ 0 0 67 -3,-2.4 3,-0.7 -67,-0.1 5,-0.4 0.205 87.1 120.7-119.3 9.6 13.6 56.6 11.4 133 153 A R T < + 0 0 114 -3,-1.4 -3,-0.0 1,-0.2 -4,-0.0 -0.384 64.0 33.3 -75.3 158.7 14.3 54.6 14.6 134 154 A G T 3 S+ 0 0 85 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.640 90.6 100.5 74.7 16.5 11.7 52.3 16.2 135 155 A L S < S- 0 0 112 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.0 0.354 100.0-101.8-112.3 -1.1 10.1 51.4 12.8 136 156 A G S > S+ 0 0 34 -4,-0.1 4,-2.2 3,-0.0 5,-0.2 0.554 80.1 132.3 91.8 8.3 11.7 48.0 12.3 137 157 A I H > S+ 0 0 3 -5,-0.4 4,-2.8 1,-0.2 5,-0.3 0.933 70.7 54.8 -62.3 -41.6 14.4 49.1 9.9 138 158 A A H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 110.2 48.1 -57.1 -41.5 17.2 47.3 11.8 139 159 A G H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.902 110.7 49.9 -66.4 -38.4 15.1 44.1 11.5 140 160 A R H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.913 112.1 47.8 -68.8 -36.1 14.4 44.6 7.7 141 161 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.933 114.2 47.7 -63.9 -43.5 18.2 45.2 7.1 142 162 A T H >X S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.3 4,-0.6 0.942 110.2 50.8 -65.9 -45.7 19.0 42.1 9.1 143 163 A E H >X S+ 0 0 81 -4,-2.9 3,-0.9 1,-0.3 4,-0.7 0.816 98.4 65.9 -70.8 -21.5 16.5 39.9 7.4 144 164 A R H >X S+ 0 0 86 -4,-1.6 4,-1.1 1,-0.3 3,-1.0 0.885 95.5 59.8 -64.4 -30.7 17.7 40.9 4.0 145 165 A A H S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.2 4,-0.6 0.935 110.3 47.8 -59.1 -42.2 22.8 33.4 3.5 150 170 A R H ><5S+ 0 0 163 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.918 110.2 51.6 -60.6 -48.1 20.2 31.1 1.7 151 171 A E H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.755 120.2 35.6 -63.8 -21.7 21.7 31.8 -1.7 152 172 A N H 3<5S- 0 0 85 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.284 107.9-112.5-121.9 8.6 25.1 30.9 -0.4 153 173 A G T <<5 + 0 0 58 -3,-0.9 2,-0.5 -4,-0.6 -3,-0.2 0.804 61.3 152.1 63.4 30.4 24.5 28.0 2.1 154 174 A I < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.820 21.6-178.4 -91.9 131.7 25.6 30.1 5.1 155 175 A N + 0 0 72 -2,-0.5 55,-2.4 -36,-0.5 2,-0.4 0.675 56.7 61.1-100.6 -27.3 23.8 28.9 8.3 156 176 A V E - E 0 209A 1 -37,-0.4 -35,-2.5 53,-0.2 2,-0.5 -0.924 51.9-167.4-118.1 132.9 25.1 31.3 11.0 157 177 A Y E -dE 121 208A 0 51,-2.5 51,-2.1 -2,-0.4 2,-0.4 -0.976 15.3-165.9-113.8 120.8 24.8 35.0 11.4 158 178 A H E +dE 122 207A 19 -37,-3.4 -35,-3.1 -2,-0.5 2,-0.4 -0.930 8.8 178.3-112.4 129.5 27.1 36.4 14.2 159 179 A V E -dE 123 206A 8 47,-2.9 47,-3.0 -2,-0.4 2,-0.7 -0.938 19.1-151.1-137.0 113.5 26.7 40.0 15.6 160 180 A L E - E 0 205A 51 -37,-0.5 2,-0.5 -2,-0.4 45,-0.2 -0.739 20.8-157.0 -79.7 115.7 28.9 41.5 18.3 161 181 A C E - E 0 204A 5 43,-2.9 43,-2.1 -2,-0.7 -2,-0.0 -0.864 13.4-154.4-100.5 133.1 26.7 44.0 20.1 162 182 A S S S+ 0 0 22 -2,-0.5 2,-0.3 41,-0.2 40,-0.2 0.398 77.2 24.3 -88.2 3.4 28.3 46.8 22.1 163 183 A S S > S- 0 0 1 41,-0.2 4,-2.3 38,-0.1 3,-0.4 -0.979 76.7-115.4-158.0 154.0 25.3 47.3 24.5 164 184 A H H > S+ 0 0 42 36,-2.4 4,-2.4 -2,-0.3 5,-0.2 0.803 113.5 67.7 -60.7 -25.3 22.4 45.4 25.9 165 185 A Y H > S+ 0 0 111 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.938 107.4 35.2 -61.6 -47.0 20.3 48.0 24.0 166 186 A S H > S+ 0 0 38 -3,-0.4 4,-1.9 2,-0.2 3,-0.4 0.878 112.8 60.2 -79.0 -28.0 21.4 46.6 20.6 167 187 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.902 101.5 55.3 -61.9 -37.2 21.5 43.0 21.9 168 188 A R H X S+ 0 0 142 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.845 103.6 54.8 -63.4 -33.5 17.8 43.3 22.7 169 189 A V H X S+ 0 0 46 -4,-0.9 4,-1.5 -3,-0.4 -1,-0.2 0.948 110.5 45.3 -63.9 -47.0 17.1 44.3 19.0 170 190 A M H <>S+ 0 0 2 -4,-1.9 5,-2.5 1,-0.2 -2,-0.2 0.904 109.4 55.3 -65.9 -36.2 18.9 41.1 17.9 171 191 A E H ><5S+ 0 0 124 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.911 105.2 52.7 -58.6 -42.6 17.0 39.0 20.5 172 192 A K H 3<5S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.8 55.1 -63.5 -28.5 13.7 40.3 19.1 173 193 A L T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.388 130.1 -96.6 -86.5 5.6 14.9 39.2 15.6 174 194 A G T < 5S+ 0 0 45 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.579 79.4 135.8 89.4 18.3 15.5 35.7 17.0 175 195 A F < - 0 0 6 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.539 38.6-151.5 -82.3 159.8 19.2 35.8 17.8 176 196 A H E -F 207 0A 84 31,-2.7 31,-2.6 -2,-0.2 2,-0.1 -0.949 23.5 -96.7-130.6 151.4 20.5 34.3 21.1 177 197 A E E +F 206 0A 66 -2,-0.3 29,-0.2 29,-0.2 3,-0.1 -0.418 35.8 171.0 -61.2 139.8 23.5 35.2 23.2 178 198 A V E S+ 0 0 33 27,-3.1 2,-0.3 1,-0.4 28,-0.2 0.516 71.1 6.5-124.1 -10.4 26.6 33.1 22.7 179 199 A F E -F 205 0A 45 26,-1.2 26,-2.7 -71,-0.0 -1,-0.4 -0.955 62.5-174.8-163.0 149.1 29.0 35.1 24.9 180 200 A R E -F 204 0A 159 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.992 6.1-176.6-143.2 156.2 28.9 38.2 27.2 181 201 A M E -F 203 0A 23 22,-2.1 22,-2.1 -2,-0.3 2,-0.2 -0.925 23.5-132.8-152.4 121.7 31.3 40.4 29.1 182 202 A Q > - 0 0 98 -2,-0.3 3,-1.6 20,-0.3 4,-0.4 -0.513 16.1-130.6 -69.3 143.6 30.3 43.2 31.4 183 203 A F G > S+ 0 0 10 1,-0.3 3,-1.4 2,-0.2 10,-0.4 0.868 110.4 62.4 -55.9 -36.1 32.2 46.5 31.0 184 204 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 8,-0.1 8,-0.1 0.699 106.7 45.6 -62.0 -19.2 32.8 46.4 34.8 185 205 A D G < S+ 0 0 99 -3,-1.6 2,-1.1 6,-0.0 -1,-0.3 0.365 84.5 99.6-105.1 -4.0 34.8 43.2 34.2 186 206 A Y < + 0 0 6 -3,-1.4 7,-0.9 -4,-0.4 8,-0.3 -0.786 38.1 146.5 -90.3 96.6 36.8 44.3 31.2 187 207 A K > + 0 0 112 -2,-1.1 3,-2.0 5,-0.2 5,-0.2 -0.565 12.8 168.4-131.3 66.9 40.1 45.2 32.9 188 208 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.795 86.0 25.7 -62.2 -32.8 42.8 44.3 30.4 189 209 A Q T 3 S- 0 0 177 2,-0.5 3,-0.1 0, 0.0 -2,-0.0 -0.069 132.7 -81.7-118.0 31.2 45.6 46.0 32.2 190 210 A G S < S+ 0 0 55 -3,-2.0 2,-0.3 1,-0.2 -3,-0.1 0.331 105.1 82.4 96.0 -6.9 44.0 45.7 35.7 191 211 A E S S- 0 0 150 -6,-0.0 -2,-0.5 -5,-0.0 -1,-0.2 -0.962 85.0 -96.0-132.9 150.8 41.7 48.7 35.5 192 212 A V + 0 0 66 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.330 33.4 179.6 -60.6 133.1 38.2 49.4 34.0 193 213 A V + 0 0 43 -7,-0.9 2,-0.5 -10,-0.4 -1,-0.1 0.771 66.6 45.5-102.3 -45.8 38.5 51.1 30.5 194 214 A F + 0 0 1 -11,-0.3 -1,-0.3 -8,-0.3 -8,-0.2 -0.863 51.7 165.3-109.5 125.1 34.8 51.6 29.6 195 215 A K + 0 0 158 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 -0.405 16.8 158.1-133.7 61.2 32.2 53.0 32.1 196 216 A P - 0 0 23 0, 0.0 5,-0.1 0, 0.0 -167,-0.0 -0.133 57.0 -54.7 -68.0 176.2 29.1 53.9 30.1 197 217 A A >> - 0 0 61 1,-0.1 3,-2.1 3,-0.1 4,-0.6 -0.174 57.6-105.2 -54.2 152.4 25.7 54.2 31.8 198 218 A A G >4 S+ 0 0 89 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.751 112.7 63.2 -50.5 -41.6 24.4 51.2 33.7 199 219 A P G 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 0.705 93.1 63.8 -64.9 -18.8 21.8 50.1 31.2 200 220 A H G <4 S+ 0 0 29 -3,-2.1 -36,-2.4 -36,-0.1 -2,-0.2 0.888 74.3 175.0 -69.4 -40.2 24.5 49.3 28.6 201 221 A V << - 0 0 58 -3,-0.8 2,-0.2 -4,-0.6 -38,-0.1 0.451 48.1 -66.3 56.6 -0.8 26.0 46.6 30.8 202 222 A G S S- 0 0 0 -20,-0.3 -20,-0.3 -40,-0.2 2,-0.2 -0.494 70.0 -38.7 123.0 178.8 28.6 45.3 28.5 203 223 A I E - F 0 181A 4 -22,-2.1 -22,-2.1 -2,-0.2 2,-0.4 -0.612 41.5-169.9 -82.7 149.6 29.1 43.4 25.2 204 224 A Q E -EF 161 180A 20 -43,-2.1 -43,-2.9 -2,-0.2 2,-0.6 -0.977 15.5-145.1-135.3 127.3 27.0 40.4 24.0 205 225 A V E -EF 160 179A 1 -26,-2.7 -27,-3.1 -2,-0.4 -26,-1.2 -0.818 24.5-162.8 -83.9 124.0 27.8 38.3 21.0 206 226 A M E -EF 159 177A 2 -47,-3.0 -47,-2.9 -2,-0.6 2,-0.3 -0.856 8.7-175.0-109.3 144.0 24.6 37.3 19.4 207 227 A A E -EF 158 176A 0 -31,-2.6 -31,-2.7 -2,-0.4 2,-0.4 -0.991 9.4-170.3-135.5 152.0 24.0 34.5 16.9 208 228 A K E -E 157 0A 41 -51,-2.1 -51,-2.5 -2,-0.3 2,-0.6 -1.000 15.1-147.6-136.1 138.9 21.2 33.1 14.8 209 229 A E E E 156 0A 108 -2,-0.4 -53,-0.2 -53,-0.2 -54,-0.1 -0.930 360.0 360.0-102.5 118.9 21.1 29.9 12.8 210 230 A V 0 0 75 -55,-2.4 -2,-0.0 -2,-0.6 0, 0.0 -0.876 360.0 360.0-108.8 360.0 18.9 30.6 9.7