==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-MAR-07 2P5X . COMPND 2 MOLECULE: N-ACETYLSEROTONIN O-METHYLTRANSFERASE-LIKE PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MIN,H.WU,L.DOMBROVSKI,P.LOPPNAU,J.WEIGELT,M.SUNDSTROM, . 405 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 37 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 0 0 1 2 1 2 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 1 0 0 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 10 A L > 0 0 45 0, 0.0 3,-1.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -4.3 39.0 32.2 60.9 2 11 A L T 3 + 0 0 146 1,-0.3 23,-0.1 3,-0.1 0, 0.0 0.855 360.0 21.5 -47.4 -54.9 36.2 29.9 62.3 3 12 A H T 3 S+ 0 0 176 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.123 104.2 104.6-108.3 23.1 33.2 32.1 61.6 4 13 A K S < S- 0 0 82 -3,-1.5 2,-0.8 21,-0.1 21,-0.1 -0.648 78.9-109.4 -98.6 155.7 34.7 34.3 58.9 5 14 A R - 0 0 35 -2,-0.2 69,-1.8 21,-0.1 2,-0.5 -0.814 41.2-168.3 -83.5 113.5 34.1 34.0 55.2 6 15 A V E -a 74 0A 3 -2,-0.8 21,-2.8 19,-0.3 2,-0.5 -0.922 7.9-163.3-111.0 128.6 37.4 32.6 53.8 7 16 A V E -ab 75 27A 0 67,-2.7 69,-3.2 -2,-0.5 2,-0.7 -0.953 7.9-155.8-113.3 120.8 38.1 32.6 50.0 8 17 A L E -ab 76 28A 0 19,-2.7 21,-2.3 -2,-0.5 2,-1.4 -0.897 8.9-155.7 -90.8 112.9 40.9 30.3 48.6 9 18 A A + 0 0 2 67,-2.9 22,-0.6 -2,-0.7 2,-0.3 -0.322 62.8 89.7 -85.0 53.1 41.9 32.0 45.3 10 19 A S - 0 0 8 -2,-1.4 -2,-0.1 20,-0.2 19,-0.1 -0.980 59.6-157.5-155.4 131.6 43.2 28.8 43.8 11 20 A A + 0 0 61 -2,-0.3 -1,-0.1 20,-0.1 17,-0.0 0.461 55.3 128.8 -82.6 -3.5 41.8 26.0 41.8 12 21 A S > - 0 0 23 1,-0.2 4,-2.2 177,-0.1 5,-0.2 -0.374 48.4-157.7 -64.8 116.8 44.6 23.6 43.0 13 22 A P H > S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.880 93.7 55.3 -56.6 -37.2 43.0 20.4 44.3 14 23 A R H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.902 108.6 45.3 -66.8 -44.1 46.2 19.7 46.3 15 24 A R H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 114.7 49.4 -60.2 -46.9 46.0 23.1 48.1 16 25 A Q H X S+ 0 0 49 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.918 109.5 51.5 -57.2 -50.2 42.3 22.7 48.8 17 26 A E H X S+ 0 0 113 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.902 110.1 49.9 -54.3 -46.8 42.9 19.1 50.2 18 27 A I H X S+ 0 0 14 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.904 114.1 43.5 -60.1 -47.3 45.6 20.5 52.6 19 28 A L H <>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 3,-0.3 0.927 114.9 49.5 -68.2 -42.1 43.4 23.3 53.9 20 29 A S H ><5S+ 0 0 62 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.931 109.6 51.4 -59.2 -48.8 40.3 21.0 54.2 21 30 A N H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.756 105.2 57.1 -59.2 -29.3 42.3 18.4 56.1 22 31 A A T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.412 123.7-108.2 -79.5 -2.4 43.5 21.1 58.4 23 32 A G T < 5 + 0 0 57 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.538 67.7 148.2 88.0 9.5 39.8 21.8 59.2 24 33 A L < - 0 0 27 -5,-2.2 2,-0.5 1,-0.0 -1,-0.3 -0.576 38.2-146.5 -82.2 137.1 39.5 25.2 57.4 25 34 A R + 0 0 214 -2,-0.3 -19,-0.3 -24,-0.1 2,-0.3 -0.911 36.0 149.1-103.2 125.4 36.2 26.1 55.8 26 35 A F - 0 0 42 -2,-0.5 2,-0.4 -21,-0.1 -19,-0.2 -0.980 43.3-122.7-153.9 153.4 36.6 28.1 52.6 27 36 A E E -b 7 0A 71 -21,-2.8 -19,-2.7 -2,-0.3 2,-0.7 -0.861 29.0-128.0-101.8 144.4 35.0 28.9 49.2 28 37 A V E +b 8 0A 58 -2,-0.4 -19,-0.2 -21,-0.2 -17,-0.1 -0.813 35.3 162.7 -98.6 116.4 37.1 28.3 46.1 29 38 A V - 0 0 21 -21,-2.3 -18,-0.1 -2,-0.7 31,-0.1 -0.842 29.4-143.9-132.7 94.0 37.2 31.2 43.7 30 39 A P - 0 0 64 0, 0.0 -20,-0.2 0, 0.0 2,-0.1 -0.212 23.0-108.9 -60.0 148.5 40.1 30.8 41.2 31 40 A S - 0 0 30 -22,-0.6 -20,-0.1 1,-0.1 25,-0.1 -0.474 13.2-156.7 -77.1 149.2 41.9 34.0 40.2 32 41 A K + 0 0 147 24,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.349 53.8 128.4 -98.6 -0.0 41.6 35.5 36.8 33 42 A F + 0 0 38 23,-0.2 -2,-0.1 1,-0.2 23,-0.1 -0.459 23.3 160.5 -59.4 108.2 45.1 37.2 37.3 34 43 A K + 0 0 197 -2,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.447 36.3 104.2-116.6 -13.0 46.7 36.1 34.0 35 44 A E - 0 0 117 -3,-0.1 2,-0.5 1,-0.0 -3,-0.0 -0.597 60.0-154.0 -63.6 126.8 49.5 38.7 33.8 36 45 A K - 0 0 86 -2,-0.3 3,-0.1 1,-0.0 -2,-0.1 -0.967 18.3-123.5-110.0 132.5 52.7 37.0 34.9 37 46 A L - 0 0 29 -2,-0.5 2,-0.8 1,-0.1 3,-0.1 -0.035 29.1 -89.4 -70.6 167.4 55.2 39.3 36.3 38 47 A D > - 0 0 102 1,-0.2 3,-2.1 2,-0.1 -1,-0.1 -0.721 31.3-156.6 -81.7 110.0 58.8 39.9 35.1 39 48 A K G > S+ 0 0 85 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.818 93.0 60.1 -55.2 -33.7 60.9 37.4 37.0 40 49 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.609 90.2 72.3 -69.4 -15.4 64.0 39.6 36.5 41 50 A S G < S+ 0 0 87 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.450 88.2 73.7 -80.7 -3.2 62.2 42.4 38.3 42 51 A F S < S- 0 0 57 -3,-1.3 6,-0.0 -4,-0.1 4,-0.0 -0.938 70.8-143.9-119.7 134.9 62.6 40.7 41.7 43 52 A A S S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.821 91.0 26.4 -55.2 -38.6 65.8 40.3 43.8 44 53 A T S > S- 0 0 39 1,-0.1 4,-1.5 -3,-0.1 5,-0.1 -0.905 75.4-124.3-130.9 150.2 64.6 36.8 44.9 45 54 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.849 114.6 55.1 -60.5 -35.1 62.4 34.0 43.4 46 55 A Y H > S+ 0 0 71 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.855 102.2 56.1 -67.3 -34.8 60.3 34.1 46.6 47 56 A G H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 110.0 47.0 -54.7 -43.6 59.7 37.8 46.1 48 57 A Y H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.922 112.3 49.2 -62.9 -47.8 58.4 36.8 42.7 49 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 113.1 47.0 -61.8 -44.3 56.2 34.0 44.2 50 59 A M H X S+ 0 0 29 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.935 111.1 49.0 -64.5 -47.2 54.8 36.3 46.9 51 60 A E H X S+ 0 0 50 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.882 111.5 51.5 -60.1 -40.5 53.9 39.2 44.6 52 61 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.922 111.1 46.5 -61.0 -47.8 52.2 36.7 42.3 53 62 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.878 112.3 51.9 -59.0 -42.4 50.2 35.2 45.2 54 63 A K H X S+ 0 0 54 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.947 110.0 48.0 -60.1 -48.7 49.3 38.8 46.3 55 64 A Q H X S+ 0 0 52 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.908 111.1 50.3 -62.6 -41.4 48.1 39.8 42.8 56 65 A K H X S+ 0 0 25 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.899 113.8 45.4 -62.9 -39.0 45.9 36.7 42.5 57 66 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.872 113.2 49.1 -72.5 -37.3 44.3 37.2 45.9 58 67 A L H X S+ 0 0 25 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.820 108.2 54.6 -70.4 -34.3 43.7 40.9 45.3 59 68 A E H X S+ 0 0 46 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.934 113.3 42.0 -62.9 -47.8 42.2 40.2 41.9 60 69 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.924 113.1 52.9 -63.6 -48.8 39.7 37.8 43.5 61 70 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 114.7 40.8 -54.3 -53.2 39.0 40.1 46.5 62 71 A N H X S+ 0 0 64 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.879 114.6 52.4 -62.3 -43.0 38.1 43.1 44.3 63 72 A R H X S+ 0 0 73 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.917 111.0 46.4 -62.3 -45.4 36.2 41.0 41.8 64 73 A L H X S+ 0 0 17 -4,-2.8 4,-1.9 2,-0.2 6,-0.4 0.945 115.2 46.9 -60.4 -48.9 34.0 39.5 44.5 65 74 A Y H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.920 110.7 51.0 -61.3 -48.3 33.4 42.8 46.1 66 75 A Q H < S+ 0 0 135 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.8 55.2 -55.5 -34.2 32.5 44.5 42.8 67 76 A K H < S+ 0 0 182 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.951 130.7 0.8 -68.7 -57.3 30.1 41.7 42.1 68 77 A D H < S- 0 0 74 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.248 94.0-111.7-121.0 11.0 27.7 41.7 45.1 69 78 A L S < S+ 0 0 129 -4,-2.2 2,-0.5 -5,-0.3 -4,-0.2 0.743 75.7 130.9 63.1 26.7 29.1 44.6 47.3 70 79 A R - 0 0 133 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.949 54.7-140.5-112.8 121.5 30.2 42.1 49.9 71 80 A A - 0 0 24 -2,-0.5 2,-0.2 -3,-0.1 52,-0.1 -0.726 22.7-132.1 -75.9 115.6 33.8 42.4 51.3 72 81 A P - 0 0 0 0, 0.0 49,-0.5 0, 0.0 3,-0.1 -0.558 13.4-132.2 -70.6 139.9 35.1 38.8 51.7 73 82 A D S S+ 0 0 65 -68,-0.3 48,-1.9 1,-0.2 2,-0.4 0.917 82.1 3.7 -55.5 -48.9 36.6 38.5 55.1 74 83 A V E -aC 6 120A 0 -69,-1.8 -67,-2.7 46,-0.2 2,-0.4 -0.998 60.8-166.1-144.9 131.9 39.9 36.8 54.1 75 84 A V E -aC 7 119A 0 44,-2.4 44,-2.9 -2,-0.4 2,-0.5 -0.994 11.3-156.6-124.0 124.4 41.2 35.9 50.7 76 85 A I E -aC 8 118A 0 -69,-3.2 -67,-2.9 -2,-0.4 2,-0.3 -0.883 11.1-178.1-104.0 123.3 44.2 33.5 50.4 77 86 A G E - C 0 117A 0 40,-2.5 40,-2.5 -2,-0.5 2,-0.3 -0.871 2.7-178.9-113.3 155.6 46.5 33.4 47.4 78 87 A A E - C 0 116A 1 -2,-0.3 2,-0.3 -69,-0.3 38,-0.2 -0.982 11.2-171.7-149.6 148.3 49.5 31.1 46.8 79 88 A D E - C 0 115A 7 36,-1.9 36,-2.8 -2,-0.3 2,-0.5 -0.916 7.3-163.2-148.4 120.4 52.1 30.6 44.1 80 89 A T E + C 0 114A 19 -2,-0.3 2,-0.3 34,-0.3 34,-0.2 -0.905 15.8 170.5-107.1 126.8 54.5 27.6 44.0 81 90 A I E - C 0 113A 0 32,-2.6 32,-2.6 -2,-0.5 2,-0.4 -0.877 24.6-136.6-129.9 162.6 57.7 27.8 41.8 82 91 A V E -DC 89 112A 0 7,-2.9 7,-3.6 -2,-0.3 2,-0.4 -0.931 15.6-164.9-115.3 141.5 60.8 25.7 41.4 83 92 A T E +DC 88 111A 19 28,-2.3 28,-2.3 -2,-0.4 2,-0.3 -0.999 12.6 167.8-125.6 138.4 64.3 27.1 41.1 84 93 A V E > S-D 87 0A 7 3,-2.1 3,-2.6 -2,-0.4 26,-0.1 -0.980 72.8 -9.7-146.1 135.7 67.3 25.2 39.9 85 94 A G T 3 S- 0 0 65 -2,-0.3 3,-0.1 1,-0.3 25,-0.1 0.825 129.7 -55.4 40.8 39.8 70.7 26.7 38.9 86 95 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.415 111.7 117.8 82.4 -5.0 69.1 30.2 39.2 87 96 A L E < -D 84 0A 70 -3,-2.6 -3,-2.1 2,-0.0 2,-0.5 -0.803 59.7-134.3 -97.8 138.8 66.3 29.5 36.7 88 97 A I E -D 83 0A 22 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.801 19.9-165.6 -90.6 128.6 62.6 29.7 37.8 89 98 A L E +D 82 0A 10 -7,-3.6 -7,-2.9 -2,-0.5 2,-0.1 -0.967 11.7 170.7-115.2 133.2 60.4 26.8 36.6 90 99 A E - 0 0 50 -2,-0.4 75,-2.2 1,-0.2 76,-0.2 -0.118 52.2 -31.5-114.0-146.8 56.6 26.9 36.8 91 100 A K - 0 0 116 73,-0.2 -1,-0.2 74,-0.1 73,-0.2 -0.533 69.8-105.7 -78.7 141.5 54.0 24.5 35.3 92 101 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.406 17.7-149.9 -64.7 139.4 54.9 22.7 32.1 93 102 A V S S- 0 0 114 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.878 77.3 -14.2 -73.8 -39.0 53.1 24.1 29.0 94 103 A D S > S- 0 0 72 -3,-0.0 4,-2.2 1,-0.0 3,-0.2 -0.888 83.4 -81.5-152.4 177.8 53.1 20.6 27.3 95 104 A K H > S+ 0 0 87 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.815 125.9 52.9 -57.2 -35.4 54.8 17.2 27.6 96 105 A Q H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 108.0 50.5 -70.8 -38.5 57.9 18.3 25.8 97 106 A D H > S+ 0 0 28 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 108.6 54.9 -57.9 -46.8 58.3 21.3 28.2 98 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.885 105.8 50.0 -53.7 -45.9 57.9 18.7 31.0 99 108 A Y H X S+ 0 0 52 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.912 110.3 50.5 -62.2 -44.9 60.8 16.6 29.7 100 109 A R H X S+ 0 0 127 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.871 111.0 49.1 -60.6 -41.8 63.1 19.6 29.5 101 110 A M H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.927 112.4 46.8 -63.0 -48.7 62.2 20.6 33.1 102 111 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.867 109.8 53.1 -66.6 -37.1 62.9 17.1 34.5 103 112 A S H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 110.1 50.0 -58.9 -43.0 66.2 16.8 32.6 104 113 A R H < S+ 0 0 116 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 114.7 43.5 -59.6 -41.6 67.2 20.1 34.1 105 114 A L H >< S+ 0 0 0 -4,-1.8 3,-1.7 60,-0.1 38,-0.4 0.721 87.2 119.2 -81.7 -23.5 66.2 18.8 37.6 106 115 A S T 3< S- 0 0 28 -4,-1.9 39,-0.2 1,-0.2 3,-0.1 -0.134 85.7 -2.6 -52.5 132.7 67.8 15.3 37.2 107 116 A G T 3 S+ 0 0 24 37,-2.4 2,-0.3 1,-0.2 -1,-0.2 0.593 114.1 102.3 66.2 14.7 70.5 14.4 39.7 108 117 A R S < S- 0 0 113 -3,-1.7 35,-2.5 36,-0.3 2,-0.4 -0.816 72.0-117.6-125.5 161.1 70.4 17.8 41.4 109 118 A E E + E 0 142A 100 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.840 38.6 176.4 -92.1 135.2 69.0 19.6 44.4 110 119 A H E - E 0 141A 3 31,-3.0 31,-2.5 -2,-0.4 2,-0.4 -0.842 25.0-117.8-129.9 171.3 66.5 22.3 43.7 111 120 A S E -CE 83 140A 11 -28,-2.3 -28,-2.3 -2,-0.3 2,-0.5 -0.881 12.9-156.4-108.5 146.0 64.3 24.6 45.8 112 121 A V E -CE 82 139A 2 27,-2.6 27,-2.1 -2,-0.4 2,-0.5 -0.989 15.0-168.9-114.2 126.9 60.5 24.8 45.9 113 122 A F E -CE 81 138A 9 -32,-2.6 -32,-2.6 -2,-0.5 2,-0.5 -0.977 10.3-169.7-116.8 130.9 59.1 28.1 47.0 114 123 A T E -CE 80 137A 0 23,-2.2 23,-1.6 -2,-0.5 2,-0.4 -0.975 9.2-161.7-111.8 116.0 55.4 28.7 47.9 115 124 A G E -CE 79 136A 0 -36,-2.8 -36,-1.9 -2,-0.5 2,-0.4 -0.752 10.7-165.1 -87.2 138.4 54.6 32.4 48.3 116 125 A V E -CE 78 135A 0 19,-3.6 19,-2.3 -2,-0.4 2,-0.5 -0.988 11.7-164.0-128.9 137.8 51.3 33.1 50.2 117 126 A A E -CE 77 134A 0 -40,-2.5 -40,-2.5 -2,-0.4 2,-0.6 -0.990 3.0-164.0-118.3 123.8 49.3 36.2 50.5 118 127 A I E -CE 76 133A 0 15,-3.2 15,-2.5 -2,-0.5 2,-0.6 -0.948 13.9-165.1-101.9 113.9 46.6 36.5 53.3 119 128 A V E -CE 75 132A 0 -44,-2.9 -44,-2.4 -2,-0.6 2,-0.5 -0.911 7.5-162.6-107.8 114.8 44.3 39.4 52.4 120 129 A H E -CE 74 131A 18 11,-3.0 11,-2.3 -2,-0.6 2,-0.4 -0.846 19.6-166.2 -89.1 127.5 42.0 40.8 55.1 121 130 A C E + E 0 130A 11 -48,-1.9 2,-0.3 -2,-0.5 9,-0.2 -0.914 19.5 163.8-121.6 144.8 39.2 42.9 53.5 122 131 A S E - E 0 129A 63 7,-2.2 7,-3.5 -2,-0.4 2,-0.6 -0.977 30.6-123.2-144.8 159.3 36.6 45.3 54.6 123 132 A S E + E 0 128A 61 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.915 34.1 159.5-104.6 126.7 34.4 47.8 52.9 124 133 A K E > + E 0 127A 133 3,-2.1 3,-0.8 -2,-0.6 -2,-0.1 -0.979 65.6 0.1-141.0 140.7 34.4 51.5 53.8 125 134 A D T 3 S- 0 0 126 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.850 128.7 -53.5 54.7 46.2 33.3 54.5 51.7 126 135 A H T 3 S+ 0 0 171 1,-0.2 2,-0.3 -57,-0.1 -1,-0.2 0.721 119.8 93.0 68.5 23.6 32.2 52.5 48.7 127 136 A Q E < S-E 124 0A 114 -3,-0.8 -3,-2.1 2,-0.0 2,-0.6 -0.979 76.9-110.2-142.6 161.4 35.5 50.8 48.4 128 137 A L E -E 123 0A 21 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.801 25.8-156.2 -89.2 116.1 37.4 47.7 49.4 129 138 A D E -E 122 0A 60 -7,-3.5 -7,-2.2 -2,-0.6 2,-0.4 -0.850 15.2-164.4 -88.4 130.9 40.1 48.2 51.9 130 139 A T E -E 121 0A 53 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.946 15.1-167.0-119.4 138.4 42.7 45.4 51.7 131 140 A R E -E 120 0A 162 -11,-2.3 -11,-3.0 -2,-0.4 2,-0.4 -0.995 17.3-158.3-122.8 119.9 45.3 44.5 54.3 132 141 A V E -E 119 0A 48 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 -0.861 13.0-171.3-106.9 129.4 47.9 42.1 52.9 133 142 A S E -E 118 0A 17 -15,-2.5 -15,-3.2 -2,-0.4 2,-0.4 -0.990 16.4-165.7-115.5 128.3 50.2 39.8 54.9 134 143 A E E +E 117 0A 72 -2,-0.5 2,-0.3 -17,-0.2 -17,-0.2 -0.936 17.3 150.7-122.8 136.3 52.8 38.0 52.8 135 144 A F E -E 116 0A 10 -19,-2.3 -19,-3.6 -2,-0.4 2,-0.3 -0.957 19.2-157.0-150.6 167.8 55.1 35.1 53.5 136 145 A Y E -E 115 0A 71 -2,-0.3 2,-0.4 -21,-0.3 -21,-0.2 -0.943 6.4-147.4-141.2 165.4 56.9 32.2 51.8 137 146 A E E -E 114 0A 53 -23,-1.6 -23,-2.2 -2,-0.3 2,-0.4 -0.996 9.6-155.7-133.4 140.2 58.3 28.8 52.5 138 147 A E E +E 113 0A 66 -2,-0.4 45,-0.4 -25,-0.2 2,-0.4 -0.958 11.3 179.3-114.4 132.7 61.3 27.1 50.9 139 148 A T E -E 112 0A 0 -27,-2.1 -27,-2.6 -2,-0.4 2,-0.4 -0.999 20.6-138.9-128.6 134.4 61.9 23.3 50.7 140 149 A K E -EF 111 181A 79 41,-2.3 41,-2.8 -2,-0.4 2,-0.4 -0.768 20.0-169.2 -93.9 138.6 64.9 21.7 49.1 141 150 A V E -EF 110 180A 0 -31,-2.5 -31,-3.0 -2,-0.4 2,-0.5 -0.993 9.2-149.9-130.0 138.0 64.3 18.6 47.0 142 151 A K E -EF 109 179A 61 37,-3.0 36,-3.1 -2,-0.4 37,-1.4 -0.919 6.5-156.8-113.1 125.1 66.8 16.2 45.6 143 152 A F E - F 0 177A 0 -35,-2.5 34,-0.2 -2,-0.5 33,-0.1 -0.819 16.2-131.6 -91.8 141.4 66.2 14.2 42.3 144 153 A S - 0 0 8 32,-2.0 -37,-2.4 -2,-0.4 2,-0.8 -0.200 48.1 -72.0 -75.3 179.4 68.1 11.0 41.7 145 154 A E - 0 0 173 -39,-0.2 2,-0.3 -38,-0.2 -1,-0.1 -0.706 57.3-150.1 -82.7 110.0 69.8 10.5 38.3 146 155 A L - 0 0 19 -2,-0.8 2,-0.2 -44,-0.2 30,-0.1 -0.636 0.6-141.0 -89.6 135.8 67.1 10.0 35.8 147 156 A S > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.483 28.7-109.9 -86.0 159.7 67.4 7.9 32.6 148 157 A E H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 120.2 52.9 -51.4 -40.3 65.9 8.8 29.3 149 158 A E H > S+ 0 0 161 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 111.0 42.7 -65.8 -47.5 63.5 5.8 29.8 150 159 A L H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.932 110.8 57.9 -65.3 -46.8 62.2 6.9 33.3 151 160 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 112.0 39.7 -46.6 -56.4 61.9 10.5 32.2 152 161 A W H X S+ 0 0 73 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.865 111.3 59.0 -67.9 -37.0 59.5 9.6 29.4 153 162 A E H X S+ 0 0 110 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.926 111.4 41.1 -46.3 -54.8 57.8 7.0 31.6 154 163 A Y H X>S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 5,-0.6 0.901 113.6 52.7 -68.3 -40.2 56.9 9.9 34.0 155 164 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.915 107.4 52.1 -60.1 -45.2 56.1 12.4 31.3 156 165 A H H 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 97.3 66.8 -66.2 -28.5 53.6 10.0 29.6 157 166 A S H 3<5S- 0 0 60 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.802 103.4-130.7 -57.8 -29.1 51.7 9.4 32.9 158 167 A G T X<5S+ 0 0 26 -3,-1.2 3,-1.2 -4,-0.6 4,-0.3 0.320 73.1 122.7 87.5 -7.3 50.6 13.0 32.8 159 168 A E G > < + 0 0 41 -5,-0.6 3,-0.6 1,-0.2 -4,-0.1 0.851 64.1 62.0 -55.5 -39.2 51.7 13.6 36.4 160 169 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.816 85.2 84.3 -52.1 -30.0 54.1 16.5 35.4 161 170 A M G < S+ 0 0 56 -3,-1.2 -2,-0.1 1,-0.3 5,-0.0 0.640 91.8 32.2 -62.0 -38.5 51.2 18.7 34.1 162 171 A D G < S+ 0 0 89 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.3 0.111 104.7 93.6-103.4 23.6 49.7 20.5 37.0 163 172 A K S X S- 0 0 23 -3,-1.6 3,-1.9 -73,-0.1 2,-0.1 -0.921 79.9-108.2-128.5 136.4 52.9 20.8 39.0 164 173 A A G > S+ 0 0 14 -2,-0.4 3,-0.8 1,-0.3 -73,-0.2 -0.416 110.7 8.0 -55.6 129.3 55.7 23.4 39.4 165 174 A G G 3 S- 0 0 0 -75,-2.2 -1,-0.3 1,-0.2 -74,-0.1 0.490 123.0 -87.1 70.9 -0.3 58.8 22.0 37.8 166 175 A G G < S+ 0 0 0 -3,-1.9 2,-0.3 -6,-0.3 -1,-0.2 0.797 97.7 83.2 75.8 34.4 56.7 19.2 36.4 167 176 A Y < - 0 0 8 -3,-0.8 2,-0.3 -7,-0.2 -1,-0.2 -0.963 54.3-148.3-154.6 164.9 56.8 16.6 39.2 168 177 A G - 0 0 2 -2,-0.3 8,-0.2 -5,-0.1 9,-0.2 -0.959 15.7-141.7-134.0 156.4 55.2 15.5 42.5 169 178 A I S S+ 0 0 6 -2,-0.3 219,-0.1 1,-0.1 218,-0.1 0.386 88.8 68.9 -89.2 2.7 56.7 13.8 45.6 170 179 A Q S S+ 0 0 80 217,-0.0 -1,-0.1 18,-0.0 56,-0.1 0.783 102.4 7.0-104.3 -33.6 53.6 11.7 46.2 171 180 A A S > S- 0 0 20 -3,-0.1 3,-1.0 55,-0.1 4,-0.1 0.435 129.0 -13.9-125.3-107.5 52.9 9.0 43.6 172 181 A L G > S+ 0 0 16 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.648 121.5 78.1 -85.0 -5.3 55.0 7.9 40.7 173 182 A G G >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-1.6 0.675 75.4 80.2 -61.7 -19.0 57.1 11.1 41.3 174 183 A G G <4 S+ 0 0 2 -3,-1.0 222,-0.3 1,-0.3 -1,-0.2 0.753 82.9 60.1 -58.6 -26.5 58.5 8.9 44.1 175 184 A M G <4 S+ 0 0 38 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.640 111.2 40.9 -74.7 -15.9 60.7 7.2 41.5 176 185 A L T <4 S+ 0 0 0 -3,-1.6 -32,-2.0 -8,-0.2 2,-0.5 0.744 100.0 77.7 -98.7 -33.1 62.2 10.6 40.7 177 186 A V E < +F 143 0A 4 -4,-1.8 -34,-0.3 -34,-0.2 219,-0.2 -0.719 46.4 178.2 -94.4 122.4 62.6 12.2 44.2 178 187 A E E - 0 0 46 -36,-3.1 2,-0.3 -2,-0.5 -35,-0.2 0.838 68.0 -16.2 -86.7 -39.9 65.5 10.9 46.3 179 188 A S E -F 142 0A 16 -37,-1.4 -37,-3.0 207,-0.2 -1,-0.3 -0.989 50.0-141.9-164.1 159.1 64.8 13.2 49.3 180 189 A V E -FG 141 385A 0 205,-2.2 205,-2.4 -2,-0.3 2,-0.4 -0.936 12.4-159.5-124.6 149.4 63.0 16.3 50.6 181 190 A H E -FG 140 384A 52 -41,-2.8 -41,-2.3 -2,-0.3 2,-0.3 -0.861 60.5 -2.4-141.9 95.1 64.5 18.8 53.1 182 191 A G E S+ G 0 383A 15 201,-2.7 201,-2.5 -2,-0.4 2,-0.5 -0.939 114.8 8.0 129.1-144.7 62.1 21.0 55.0 183 192 A D > - 0 0 6 -45,-0.4 4,-0.6 -2,-0.3 199,-0.1 -0.562 53.4-167.7 -74.8 116.2 58.3 21.3 54.9 184 193 A F H >> S+ 0 0 5 -2,-0.5 4,-1.6 1,-0.2 3,-0.9 0.856 85.3 60.4 -75.9 -31.7 56.9 18.6 52.7 185 194 A L H 3>>S+ 0 0 20 1,-0.3 5,-2.3 2,-0.2 4,-1.6 0.845 96.6 62.3 -64.2 -32.0 53.4 20.1 52.5 186 195 A N H 345S+ 0 0 0 3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.803 103.3 49.0 -54.7 -36.4 55.0 23.2 50.9 187 196 A V H <<5S+ 0 0 12 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.896 105.9 55.4 -74.3 -43.0 56.1 21.0 48.0 188 197 A V H <5S- 0 0 5 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.820 135.8 -85.7 -55.8 -34.5 52.6 19.5 47.6 189 198 A G T <5S+ 0 0 1 -4,-1.6 -3,-0.2 -5,-0.2 -174,-0.1 0.303 100.7 61.8 148.9 -8.0 51.4 23.2 47.2 190 199 A F < - 0 0 0 -5,-2.3 2,-1.9 -176,-0.1 3,-0.2 -0.903 61.6-140.6-150.2 117.4 50.7 24.8 50.6 191 200 A P > + 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.514 30.8 175.8 -76.3 84.8 53.0 25.6 53.6 192 201 A L H > S+ 0 0 2 -2,-1.9 4,-2.2 1,-0.2 5,-0.2 0.868 71.9 47.2 -61.0 -48.3 50.4 24.7 56.3 193 202 A N H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 113.2 49.4 -63.2 -39.5 52.5 25.1 59.4 194 203 A H H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.945 110.1 52.2 -64.5 -47.5 53.9 28.5 58.3 195 204 A F H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.887 109.0 49.9 -47.5 -51.2 50.3 29.7 57.4 196 205 A C H X S+ 0 0 40 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.868 110.4 49.7 -60.3 -41.1 49.1 28.7 61.0 197 206 A K H X S+ 0 0 121 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.888 109.6 52.6 -62.6 -41.1 52.1 30.6 62.4 198 207 A Q H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 106.8 51.6 -61.7 -44.7 51.1 33.6 60.3 199 208 A L H X S+ 0 0 30 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.856 108.0 53.3 -57.2 -38.7 47.5 33.5 61.5 200 209 A V H X S+ 0 0 86 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.919 109.1 49.0 -63.4 -44.6 48.8 33.5 65.1 201 210 A K H < S+ 0 0 136 -4,-2.0 -2,-0.2 3,-0.3 -1,-0.2 0.890 114.9 44.7 -57.8 -42.6 50.9 36.6 64.3 202 211 A L H < S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 122.7 33.9 -78.8 -30.1 47.9 38.4 62.8 203 212 A Y H < 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.574 360.0 360.0-103.0 -10.6 45.4 37.5 65.5 204 213 A Y < 0 0 228 -4,-1.9 -3,-0.3 -5,-0.2 -2,-0.2 0.310 360.0 360.0-145.1 360.0 47.7 37.6 68.5 205 !* 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 0.0 206 10 B L > 0 0 68 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-161.4 58.8 -6.3 36.8 207 11 B L T 3 - 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0 0 39 -5,-2.1 2,-0.5 -23,-0.0 -1,-0.3 -0.740 37.7-150.8 -90.5 141.6 53.6 -2.5 39.9 230 34 B R + 0 0 169 -2,-0.3 -19,-0.4 -18,-0.0 2,-0.3 -0.964 34.4 146.3-110.5 130.1 51.3 -5.5 39.8 231 35 B F - 0 0 45 -2,-0.5 2,-0.3 -21,-0.1 -19,-0.2 -0.973 46.2-114.4-157.3 155.0 51.7 -7.8 42.8 232 36 B E E -i 212 0A 82 -21,-2.2 -19,-2.8 -2,-0.3 2,-0.6 -0.775 30.3-129.4 -93.5 148.6 49.7 -10.1 45.1 233 37 B V E +i 213 0A 56 -2,-0.3 -19,-0.2 -21,-0.2 -17,-0.1 -0.901 34.1 166.7-100.1 115.6 49.4 -9.1 48.8 234 38 B V - 0 0 18 -21,-2.5 -18,-0.1 -2,-0.6 31,-0.1 -0.848 25.5-145.2-129.6 93.9 50.4 -12.0 51.1 235 39 B P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 -20,-0.2 -0.252 23.5-110.6 -58.6 148.6 50.9 -10.9 54.7 236 40 B S - 0 0 30 -22,-0.5 -20,-0.1 1,-0.1 25,-0.1 -0.518 13.5-157.3 -84.4 146.4 53.6 -12.7 56.7 237 41 B K + 0 0 151 24,-0.2 2,-1.5 -2,-0.2 3,-0.2 0.502 62.7 113.8 -94.1 -8.9 53.0 -15.0 59.6 238 42 B F + 0 0 60 23,-0.2 -2,-0.1 1,-0.2 23,-0.1 -0.461 28.1 149.9 -63.2 90.9 56.5 -14.5 60.9 239 43 B K + 0 0 81 -2,-1.5 -1,-0.2 2,-0.1 2,-0.1 0.502 23.4 125.6-105.8 -11.6 55.4 -12.7 64.1 240 44 B E - 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