==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHODIESTERASE 13-JAN-04 1S3M . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MJ0936; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.CHEN,D.BUSSO,A.F.YAKUNIN,E.KUZNETSOVA,M.PROUDFOOT, . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 4 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 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 105 0, 0.0 154,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 59.8 39.5 30.7 -4.6 2 2 A K E -A 154 0A 73 152,-0.2 27,-2.3 153,-0.1 28,-0.9 -0.910 360.0-158.7-114.3 137.5 43.1 30.1 -5.6 3 3 A I E -Ab 153 30A 0 150,-2.1 150,-2.4 -2,-0.4 2,-0.3 -0.971 13.2-139.0-119.1 127.0 46.1 30.2 -3.3 4 4 A G E -Ab 152 31A 0 26,-2.4 28,-2.9 -2,-0.5 2,-0.4 -0.582 17.0-163.8 -79.5 141.0 49.6 30.7 -4.6 5 5 A I E +Ab 151 32A 0 146,-2.7 146,-2.5 -2,-0.3 2,-0.3 -0.992 18.9 153.2-127.9 132.1 52.4 28.6 -3.1 6 6 A M E - b 0 33A 0 26,-1.8 28,-1.7 -2,-0.4 29,-0.3 -0.973 12.7-179.0-151.2 163.3 56.1 29.4 -3.4 7 7 A S + 0 0 0 142,-0.4 133,-2.6 -2,-0.3 134,-0.4 -0.999 52.2 21.7-162.3 160.9 59.4 28.8 -1.5 8 8 A D + 0 0 0 -2,-0.3 133,-1.6 131,-0.2 134,-0.2 0.902 51.3 169.5 46.7 60.6 63.1 29.3 -1.4 9 9 A T > - 0 0 0 27,-0.3 3,-2.7 131,-0.2 28,-0.2 0.678 20.2-163.2 -74.8 -15.8 63.2 32.3 -3.6 10 10 A H T 3 - 0 0 41 26,-1.9 28,-0.2 1,-0.3 27,-0.2 0.783 62.3 -64.9 33.8 51.1 66.8 32.9 -2.5 11 11 A D T 3 S+ 0 0 47 26,-1.5 2,-1.9 1,-0.2 -1,-0.3 0.563 87.0 151.8 58.9 7.0 67.1 36.5 -3.7 12 12 A H <> - 0 0 40 -3,-2.7 4,-2.1 1,-0.2 -1,-0.2 -0.491 24.1-173.3 -71.7 89.2 66.6 35.4 -7.3 13 13 A L H > S+ 0 0 44 -2,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.875 74.3 53.1 -52.7 -47.3 64.9 38.7 -8.4 14 14 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.941 113.5 41.8 -57.6 -48.0 64.0 37.7 -11.9 15 15 A N H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.834 109.3 58.9 -70.5 -30.5 62.1 34.6 -10.9 16 16 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 109.3 46.6 -63.9 -34.6 60.5 36.4 -8.0 17 17 A R H X S+ 0 0 109 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.954 109.5 50.0 -72.7 -49.1 59.1 38.7 -10.6 18 18 A K H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.874 112.5 51.8 -56.5 -32.0 57.8 36.0 -13.0 19 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.5 49.0 -72.0 -37.8 56.2 34.5 -9.8 20 20 A I H X S+ 0 0 10 -4,-1.8 4,-1.4 2,-0.2 30,-0.3 0.836 112.4 47.9 -72.4 -28.9 54.5 37.7 -8.9 21 21 A E H X S+ 0 0 129 -4,-2.3 4,-2.9 2,-0.2 3,-0.3 0.968 111.2 49.8 -72.4 -52.0 53.2 38.2 -12.4 22 22 A I H < S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.891 110.1 51.9 -51.2 -43.6 51.8 34.7 -12.7 23 23 A F H >< S+ 0 0 1 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.3 0.890 112.2 45.1 -66.0 -37.0 50.2 35.0 -9.3 24 24 A N H 3< S+ 0 0 45 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.983 103.5 60.6 -70.4 -50.8 48.4 38.2 -10.3 25 25 A D T 3< S+ 0 0 133 -4,-2.9 2,-0.2 -5,-0.1 -1,-0.2 0.428 108.8 59.5 -54.2 2.7 47.3 37.0 -13.8 26 26 A E S < S- 0 0 54 -3,-0.8 -3,-0.0 -5,-0.2 -24,-0.0 -0.711 100.4-108.2-121.5 173.2 45.4 34.4 -11.7 27 27 A N + 0 0 102 -2,-0.2 -1,-0.2 -24,-0.0 24,-0.1 0.986 53.8 161.6 -65.2 -69.4 42.8 35.0 -9.0 28 28 A V - 0 0 7 -3,-0.1 -25,-0.2 1,-0.1 23,-0.2 0.937 22.7-169.2 43.6 97.2 45.1 34.1 -6.1 29 29 A E S S+ 0 0 64 -27,-2.3 23,-1.4 1,-0.3 2,-0.3 0.853 72.1 9.4 -77.4 -39.4 43.5 35.5 -3.0 30 30 A T E -bc 3 52A 11 -28,-0.9 -26,-2.4 21,-0.3 2,-0.5 -0.986 64.2-141.4-145.7 153.0 46.6 34.8 -1.0 31 31 A V E -bc 4 53A 1 21,-2.7 23,-2.6 -2,-0.3 2,-0.4 -0.971 11.2-157.7-119.6 123.5 50.2 33.7 -1.4 32 32 A I E -bc 5 54A 0 -28,-2.9 -26,-1.8 -2,-0.5 2,-0.4 -0.819 11.1-175.3 -95.8 135.6 52.0 31.4 1.0 33 33 A H E +bc 6 55A 3 21,-2.9 23,-1.6 -2,-0.4 -26,-0.2 -0.992 14.1 165.2-134.1 123.6 55.8 31.5 1.0 34 34 A C + 0 0 0 -28,-1.7 -27,-0.2 -2,-0.4 63,-0.1 0.835 49.1 84.9-102.7 -47.6 57.8 29.1 3.2 35 35 A G S S- 0 0 0 -29,-0.3 2,-0.6 1,-0.2 21,-0.3 0.403 92.7 -79.7 -46.0-179.8 61.4 29.3 1.9 36 36 A D + 0 0 2 1,-0.2 -26,-1.9 21,-0.1 -27,-0.3 -0.828 35.9 179.5 -88.4 122.3 64.1 31.7 2.7 37 37 A F - 0 0 2 -2,-0.6 -26,-1.5 1,-0.2 2,-1.1 0.827 30.9-173.0 -78.2 -42.3 63.4 35.0 0.7 38 38 A V + 0 0 31 -3,-0.2 25,-0.6 -28,-0.2 24,-0.3 -0.749 42.9 60.0 87.6 -78.2 66.6 35.7 2.6 39 39 A S S > S- 0 0 36 -2,-1.1 3,-1.8 -3,-0.1 4,-0.4 -0.456 76.0-125.0 -87.6 151.4 67.3 39.4 2.0 40 40 A L T >> S+ 0 0 25 1,-0.3 3,-2.0 2,-0.2 4,-0.6 0.866 106.0 65.2 -54.0 -43.2 65.2 42.5 2.9 41 41 A F H 3> S+ 0 0 106 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.694 88.0 72.5 -58.3 -15.1 65.2 43.9 -0.6 42 42 A V H <> S+ 0 0 0 -3,-1.8 4,-0.8 1,-0.2 3,-0.5 0.864 92.2 56.2 -65.8 -34.4 63.2 40.8 -1.6 43 43 A I H <4 S+ 0 0 0 -3,-2.0 4,-0.4 -4,-0.4 -1,-0.2 0.742 95.5 63.0 -71.0 -22.8 60.2 42.2 0.2 44 44 A K H >< S+ 0 0 82 -4,-0.6 3,-1.0 -3,-0.5 4,-0.3 0.829 99.0 57.3 -70.2 -26.9 60.2 45.4 -1.8 45 45 A E H >< S+ 0 0 43 -4,-0.8 3,-1.2 -3,-0.5 -1,-0.2 0.855 99.8 60.3 -69.5 -29.6 59.5 43.3 -4.8 46 46 A F G >< S+ 0 0 3 -4,-0.8 3,-2.1 1,-0.3 -1,-0.2 0.590 77.8 82.6 -76.1 -7.9 56.4 42.0 -3.1 47 47 A E G < S+ 0 0 111 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.843 89.5 58.8 -64.3 -23.6 54.8 45.4 -2.8 48 48 A N G < S+ 0 0 120 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.433 83.5 103.4 -80.7 -1.9 53.7 44.6 -6.4 49 49 A L < - 0 0 13 -3,-2.1 -28,-0.1 1,-0.2 4,-0.1 -0.716 58.5-157.6 -86.8 127.6 51.9 41.5 -5.3 50 50 A N + 0 0 130 -2,-0.5 -1,-0.2 -30,-0.3 -22,-0.1 0.981 67.8 74.9 -67.0 -57.2 48.1 41.8 -5.1 51 51 A A S S- 0 0 10 -23,-0.2 -21,-0.3 -24,-0.1 -22,-0.1 0.038 88.8-104.5 -56.0 157.4 47.3 38.9 -2.7 52 52 A N E -c 30 0A 37 -23,-1.4 -21,-2.7 25,-0.1 2,-0.4 -0.442 42.6-121.7 -76.7 166.1 48.0 39.1 1.1 53 53 A I E -c 31 0A 5 -23,-0.2 26,-2.0 22,-0.2 2,-0.5 -0.895 24.2-172.3-119.0 138.6 51.0 37.1 2.2 54 54 A I E +cd 32 79A 13 -23,-2.6 -21,-2.9 -2,-0.4 2,-0.3 -0.963 25.7 174.7-124.4 112.0 51.5 34.2 4.6 55 55 A A E -cd 33 80A 0 24,-3.0 26,-1.5 -2,-0.5 2,-0.3 -0.752 21.8-153.4-117.7 165.7 55.2 33.5 5.1 56 56 A T E - d 0 81A 0 -23,-1.6 2,-0.4 -21,-0.3 26,-0.2 -0.929 32.5-102.1-131.8 152.8 57.4 31.3 7.2 57 57 A Y - 0 0 7 24,-1.2 40,-0.3 -2,-0.3 2,-0.2 -0.637 31.6-146.2 -80.5 133.5 61.0 31.9 8.3 58 58 A G > - 0 0 2 -2,-0.4 3,-1.0 -23,-0.3 -23,-0.1 -0.613 26.4-113.5 -92.0 157.9 63.6 30.0 6.4 59 59 A N T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.2 -24,-0.0 0.675 118.9 52.2 -63.2 -14.4 66.8 28.9 8.2 60 60 A N T 3 S+ 0 0 86 2,-0.0 2,-0.9 1,-0.0 -1,-0.2 0.642 77.9 107.0 -95.1 -16.7 68.6 31.4 6.0 61 61 A D < + 0 0 8 -3,-1.0 3,-0.3 1,-0.2 -22,-0.1 -0.503 41.6 175.1 -66.9 103.8 66.5 34.5 6.7 62 62 A G + 0 0 65 -2,-0.9 2,-1.1 -24,-0.3 -1,-0.2 0.805 64.7 64.0 -83.0 -30.8 68.8 36.6 8.9 63 63 A E > + 0 0 104 -25,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.395 63.8 162.5 -93.8 59.7 66.8 39.7 9.3 64 64 A R H > S+ 0 0 101 -2,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.846 70.5 30.4 -48.5 -56.7 63.8 38.2 11.2 65 65 A C H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 118.8 54.5 -75.9 -33.6 62.1 41.2 12.8 66 66 A K H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 108.7 51.6 -62.4 -36.5 63.0 43.7 10.1 67 67 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.844 107.3 51.3 -68.6 -37.7 61.4 41.2 7.7 68 68 A K H X S+ 0 0 79 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.901 111.6 49.2 -66.8 -41.0 58.2 41.0 9.7 69 69 A E H X S+ 0 0 100 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.944 111.1 45.9 -62.2 -56.4 58.0 44.8 9.7 70 70 A W H X S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.841 111.0 55.5 -58.7 -35.9 58.5 45.3 6.0 71 71 A L H X S+ 0 0 2 -4,-1.6 4,-0.5 -5,-0.2 7,-0.3 0.955 111.8 42.4 -63.5 -47.4 56.0 42.6 5.3 72 72 A K H >< S+ 0 0 86 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.900 108.1 58.1 -67.3 -36.6 53.4 44.4 7.4 73 73 A D H 3< S+ 0 0 120 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.860 105.0 53.6 -60.2 -30.6 54.2 47.8 5.9 74 74 A I H 3< S- 0 0 39 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.699 140.9 -23.1 -73.6 -19.1 53.4 46.2 2.6 75 75 A N X< - 0 0 47 -3,-1.6 3,-1.4 -4,-0.5 -1,-0.3 -0.470 53.8-135.9 167.2 114.7 50.1 45.2 4.1 76 76 A E T 3 S+ 0 0 165 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.756 103.8 65.2 -55.9 -25.0 49.0 44.7 7.8 77 77 A E T 3 S+ 0 0 133 -5,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 0.874 79.6 100.4 -65.6 -36.1 47.2 41.5 6.8 78 78 A N < - 0 0 2 -3,-1.4 2,-0.3 -7,-0.3 -24,-0.2 -0.172 55.6-171.0 -52.0 138.2 50.6 39.8 5.9 79 79 A I E -d 54 0A 62 -26,-2.0 -24,-3.0 -8,-0.1 2,-0.3 -0.930 13.9-175.6-133.5 156.7 52.0 37.4 8.6 80 80 A I E +d 55 0A 9 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.880 16.9 144.9-156.8 122.5 55.2 35.5 9.1 81 81 A D E -d 56 0A 70 -26,-1.5 -24,-1.2 -2,-0.3 3,-0.2 -0.878 58.4-101.0-145.8 174.3 56.2 33.0 11.8 82 82 A D S S+ 0 0 22 1,-0.3 15,-0.5 -2,-0.3 2,-0.4 0.911 113.7 18.8 -69.3 -38.8 58.3 29.8 12.2 83 83 A F E S-F 96 0B 4 13,-0.1 2,-0.5 -27,-0.1 -1,-0.3 -0.997 71.8-163.3-131.6 128.6 55.1 27.7 12.1 84 84 A I E -F 95 0B 11 11,-2.3 11,-2.6 -2,-0.4 2,-0.5 -0.958 4.0-172.0-111.7 131.4 51.8 28.9 10.8 85 85 A S E +F 94 0B 56 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.896 27.5 146.1-123.4 100.8 48.8 26.9 11.8 86 86 A V E -F 93 0B 44 7,-1.4 7,-4.0 -2,-0.5 2,-0.4 -0.932 44.1-129.5-141.5 164.1 45.6 28.1 9.9 87 87 A E E +F 92 0B 110 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.883 28.3 167.1-109.6 135.3 42.3 27.4 8.3 88 88 A I E > -F 91 0B 26 3,-2.7 3,-2.3 -2,-0.4 -2,-0.0 -0.986 67.6 -1.3-146.5 141.5 41.4 28.7 4.8 89 89 A D T 3 S- 0 0 42 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.845 128.9 -57.3 40.4 49.7 38.5 27.6 2.6 90 90 A D T 3 S+ 0 0 137 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.698 116.9 113.9 58.3 24.5 37.3 25.1 5.2 91 91 A L E < -F 88 0B 12 -3,-2.3 -3,-2.7 23,-0.0 2,-0.6 -0.968 64.8-131.2-125.1 139.6 40.6 23.4 5.1 92 92 A K E -F 87 0B 98 -2,-0.4 22,-2.5 -5,-0.2 23,-1.9 -0.837 27.9-163.8 -99.4 114.8 43.2 23.2 7.9 93 93 A F E -Fg 86 115B 0 -7,-4.0 -7,-1.4 -2,-0.6 2,-0.5 -0.688 19.1-167.3-101.1 146.8 46.8 24.1 7.0 94 94 A F E -Fg 85 116B 0 21,-1.7 23,-2.6 -2,-0.3 2,-0.4 -0.981 18.7-174.8-129.0 117.4 50.1 23.6 8.6 95 95 A I E +Fg 84 117B 0 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.3 -0.919 16.0 137.3-117.4 139.4 52.9 25.7 7.0 96 96 A T E -F 83 0B 2 21,-2.0 2,-0.4 -2,-0.4 23,-0.3 -0.974 55.1 -97.7-166.5 167.6 56.6 25.7 7.7 97 97 A H > - 0 0 1 -15,-0.5 3,-0.9 -40,-0.3 7,-0.1 -0.792 45.8-115.5 -91.0 138.5 60.0 25.7 6.0 98 98 A G T 3 S+ 0 0 5 -2,-0.4 6,-0.2 1,-0.2 -1,-0.1 0.748 87.8 116.8 -47.0 -25.5 61.2 22.1 5.9 99 99 A H T 3 + 0 0 60 1,-0.2 2,-0.8 2,-0.1 -1,-0.2 0.616 68.9 43.2 -4.0 -66.4 63.8 23.3 8.2 100 100 A H <> - 0 0 24 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 -0.842 69.0-171.1-102.6 104.1 62.9 21.2 11.2 101 101 A Q H > S+ 0 0 140 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.845 78.7 58.0 -64.1 -39.8 62.1 17.6 10.1 102 102 A S H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 110.0 44.2 -58.9 -45.9 60.7 16.2 13.3 103 103 A V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 113.5 50.1 -65.1 -42.0 58.0 18.8 13.5 104 104 A L H X S+ 0 0 18 -4,-1.7 4,-1.1 -6,-0.2 -2,-0.2 0.917 110.5 50.5 -60.5 -45.5 57.1 18.5 9.8 105 105 A E H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 3,-0.2 0.878 110.0 49.9 -61.9 -40.8 56.9 14.7 10.1 106 106 A M H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.861 104.0 58.5 -66.9 -37.8 54.5 15.0 13.1 107 107 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 6,-0.4 0.818 112.5 40.3 -62.8 -31.3 52.1 17.4 11.4 108 108 A I H < S+ 0 0 16 -4,-1.1 3,-0.2 -3,-0.2 -2,-0.2 0.884 117.2 47.8 -81.9 -45.0 51.5 14.9 8.6 109 109 A K H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.718 103.0 64.9 -67.5 -28.9 51.3 11.9 10.9 110 110 A S H < S- 0 0 22 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.908 87.7-144.6 -68.2 -40.3 49.0 13.6 13.3 111 111 A G < + 0 0 49 -4,-0.7 -3,-0.1 -3,-0.2 -1,-0.1 0.529 65.8 121.4 85.0 4.3 46.0 13.9 11.0 112 112 A L + 0 0 59 -5,-0.3 2,-0.3 160,-0.1 -4,-0.1 0.516 68.3 57.9 -77.0 -3.2 45.2 17.2 12.6 113 113 A Y - 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