==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 26-MAY-11 3S6S . COMPND 2 MOLECULE: AC-ASP-7; . SOURCE 2 ORGANISM_SCIENTIFIC: ANCYLOSTOMA CANINUM; . AUTHOR A.OSMAN,C.K.WANG,A.WINTER,A.LOUKAS,L.TRIBOLET,R.GASSER,A.HOF . 348 4 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 11.8 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 . 4 1.1 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 0.3 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 2 0 0 0 3 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 2 A D 0 0 68 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 117.5 -18.2 3.6 10.1 2 3 A I - 0 0 116 24,-0.0 163,-0.1 20,-0.0 17,-0.0 -0.976 360.0 -88.1-132.3 157.1 -22.0 3.9 10.0 3 4 A V - 0 0 40 -2,-0.3 2,-0.5 1,-0.1 47,-0.1 -0.301 33.3-152.2 -58.7 137.0 -24.5 4.4 7.2 4 5 A I - 0 0 23 45,-0.4 47,-2.5 2,-0.0 2,-0.4 -0.961 16.6-162.8-116.5 115.2 -25.2 8.0 6.3 5 6 A D E -a 51 0A 76 -2,-0.5 2,-0.3 45,-0.2 47,-0.2 -0.771 11.5-179.6-108.0 136.0 -28.7 8.4 4.9 6 7 A N E -a 52 0A 42 45,-2.8 47,-1.7 -2,-0.4 48,-0.3 -0.984 45.5 -13.0-132.9 144.1 -30.2 11.2 2.9 7 8 A Q S S- 0 0 119 -2,-0.3 2,-0.2 45,-0.2 -2,-0.0 -0.325 74.1 -37.2 83.8-148.8 -33.6 11.8 1.5 8 9 A G - 0 0 40 -2,-0.1 46,-0.1 2,-0.0 -1,-0.0 -0.815 54.7 -38.3 157.3 159.8 -36.6 9.5 0.9 9 10 A S S S+ 0 0 106 -2,-0.2 45,-0.1 44,-0.0 -2,-0.0 -0.423 82.0 90.8-175.9 76.7 -38.5 7.4 0.3 10 11 A G + 0 0 8 43,-0.4 2,-1.8 42,-0.0 3,-0.3 -0.299 58.7 112.3 98.2 -77.9 -37.7 5.7 -1.8 11 12 A a + 0 0 26 1,-0.2 4,-0.1 45,-0.1 42,-0.1 -0.586 29.5 139.1 -71.3 87.2 -35.9 3.6 0.7 12 13 A M + 0 0 112 -2,-1.8 -1,-0.2 41,-0.1 2,-0.1 0.662 37.6 99.5-104.5 -18.6 -38.2 0.6 0.4 13 14 A V S S- 0 0 20 -3,-0.3 5,-0.1 105,-0.3 105,-0.0 -0.444 87.9 -97.5 -63.0 137.4 -35.4 -2.1 0.5 14 15 A D >> - 0 0 107 -2,-0.1 4,-2.2 1,-0.1 3,-1.2 -0.264 31.4-109.8 -64.0 143.2 -35.2 -3.6 4.1 15 16 A R H 3> S+ 0 0 161 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.807 113.1 49.9 -37.9 -58.8 -32.6 -2.3 6.5 16 17 A P H 3> S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.862 113.1 48.1 -62.1 -30.8 -30.2 -5.3 6.6 17 18 A F H <> S+ 0 0 35 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.951 114.7 45.5 -67.0 -49.4 -30.1 -5.5 2.8 18 19 A R H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.866 116.1 47.7 -55.1 -40.8 -29.4 -1.7 2.6 19 20 A E H X S+ 0 0 66 -4,-3.2 4,-3.0 -5,-0.3 5,-0.3 0.896 108.0 52.8 -74.8 -39.6 -26.9 -2.0 5.3 20 21 A A H X S+ 0 0 30 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.912 115.2 42.3 -60.5 -42.9 -25.1 -5.0 3.9 21 22 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.908 115.6 48.5 -72.1 -42.2 -24.7 -3.2 0.6 22 23 A D H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.886 112.9 48.2 -64.5 -39.9 -23.7 0.1 2.2 23 24 A T H X S+ 0 0 87 -4,-3.0 4,-2.6 2,-0.2 5,-0.4 0.909 109.8 52.2 -70.3 -40.2 -21.2 -1.5 4.4 24 25 A F H X S+ 0 0 42 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.937 115.5 42.4 -57.3 -48.6 -19.7 -3.4 1.5 25 26 A H H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.980 122.4 34.8 -62.3 -58.2 -19.3 -0.2 -0.4 26 27 A N H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.846 113.5 58.4 -76.9 -30.4 -18.1 2.1 2.3 27 28 A G H X S+ 0 0 16 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.923 110.7 43.7 -55.3 -46.6 -16.0 -0.5 4.1 28 29 A L H X S+ 0 0 10 -4,-1.5 4,-2.6 -5,-0.4 -2,-0.2 0.957 113.3 51.5 -66.4 -46.9 -14.0 -1.1 0.9 29 30 A R H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.863 107.5 52.4 -57.7 -41.6 -13.7 2.6 0.3 30 31 A Q H X S+ 0 0 38 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.920 110.9 47.3 -60.9 -45.1 -12.4 3.3 3.7 31 32 A R H <>S+ 0 0 121 -4,-1.9 5,-2.6 1,-0.2 6,-0.3 0.878 112.0 50.3 -66.0 -37.2 -9.7 0.6 3.3 32 33 A I H ><5S+ 0 0 1 -4,-2.6 3,-2.4 3,-0.2 -2,-0.2 0.929 105.7 56.2 -65.7 -42.7 -8.8 2.0 -0.1 33 34 A A H 3<5S+ 0 0 0 -4,-2.5 11,-1.6 1,-0.3 -1,-0.2 0.881 107.3 48.8 -54.9 -40.5 -8.5 5.5 1.3 34 35 A K T 3<5S- 0 0 84 -4,-1.6 -1,-0.3 9,-0.2 9,-0.3 0.259 115.9-121.2 -84.9 12.6 -6.0 4.2 3.9 35 36 A G T < 5S+ 0 0 30 -3,-2.4 -3,-0.2 7,-0.3 8,-0.2 0.696 83.8 112.0 57.1 23.5 -4.2 2.5 1.0 36 37 A E < + 0 0 118 -5,-2.6 2,-0.6 -6,-0.2 -4,-0.2 -0.048 32.7 110.5-122.0 34.0 -4.6 -0.9 2.7 37 38 A A S > S- 0 0 5 4,-0.4 3,-2.6 -6,-0.3 4,-0.4 -0.941 80.0-108.3-104.3 118.8 -7.1 -2.7 0.4 38 39 A E T 3 S+ 0 0 100 -2,-0.6 -2,-0.1 1,-0.3 -6,-0.0 -0.218 98.4 3.5 -52.7 112.2 -5.2 -5.5 -1.3 39 40 A G T 3 S+ 0 0 83 -2,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.372 101.8 99.3 101.9 -3.7 -4.8 -4.6 -4.9 40 41 A Y S < S- 0 0 71 -3,-2.6 -2,-0.1 1,-0.3 -5,-0.1 0.456 78.8-127.1 -99.8 1.4 -6.3 -1.2 -5.0 41 42 A G - 0 0 38 -4,-0.4 -4,-0.4 -6,-0.1 -1,-0.3 -0.341 48.0 -11.1 89.2-169.8 -3.2 1.0 -4.8 42 43 A P S S- 0 0 63 0, 0.0 -7,-0.3 0, 0.0 103,-0.1 -0.097 77.5 -80.2 -72.3 158.7 -1.9 3.8 -2.6 43 44 A A + 0 0 46 -9,-0.3 102,-0.5 -8,-0.2 2,-0.3 -0.070 58.8 164.5 -50.9 154.0 -3.8 5.9 -0.0 44 45 A R - 0 0 13 -11,-1.6 103,-0.3 100,-0.1 2,-0.2 -0.990 45.0 -73.4-163.6 167.8 -6.0 8.7 -1.3 45 46 A E - 0 0 2 100,-2.6 2,-0.4 -2,-0.3 122,-0.1 -0.542 56.2-177.9 -63.6 132.5 -8.7 11.2 -0.7 46 47 A M - 0 0 0 101,-0.3 122,-2.5 -2,-0.2 2,-0.4 -1.000 21.8-144.7-139.7 139.6 -11.9 9.3 -0.7 47 48 A Y B -e 168 0B 0 64,-0.8 122,-0.2 -2,-0.4 2,-0.1 -0.876 21.0-129.4 -99.4 136.2 -15.6 10.3 -0.3 48 49 A G - 0 0 1 120,-2.4 2,-0.6 -2,-0.4 122,-0.3 -0.481 31.1-111.3 -70.1 154.4 -17.9 8.0 1.6 49 50 A L - 0 0 0 -27,-0.2 2,-0.5 -2,-0.1 -45,-0.4 -0.820 23.2-138.4 -91.2 123.5 -21.1 7.3 -0.4 50 51 A V E - b 0 115A 0 64,-2.9 66,-2.3 -2,-0.6 2,-0.5 -0.677 21.0-124.2 -72.7 126.4 -24.2 8.8 1.1 51 52 A Y E -ab 5 116A 2 -47,-2.5 -45,-2.8 -2,-0.5 2,-0.5 -0.659 32.6-166.2 -73.0 121.7 -27.0 6.4 0.9 52 53 A D E > -a 6 0A 11 64,-2.9 4,-1.9 -2,-0.5 3,-0.4 -0.937 22.8-159.9-126.0 111.2 -29.8 8.2 -1.0 53 54 A a H > S+ 0 0 3 -47,-1.7 4,-2.2 -2,-0.5 -43,-0.4 0.781 95.9 59.6 -59.3 -32.8 -33.4 7.0 -1.1 54 55 A G H > S+ 0 0 25 -48,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.929 108.1 44.1 -59.6 -47.2 -34.0 9.1 -4.2 55 56 A L H > S+ 0 0 4 -3,-0.4 4,-2.4 2,-0.2 62,-0.4 0.785 108.4 58.2 -70.7 -26.7 -31.2 7.2 -6.0 56 57 A E H X S+ 0 0 1 -4,-1.9 4,-2.1 60,-0.2 -2,-0.2 0.924 106.2 49.6 -65.0 -40.4 -32.6 3.9 -4.6 57 58 A E H X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.851 108.9 51.8 -63.6 -35.0 -35.9 4.8 -6.3 58 59 A E H X S+ 0 0 28 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.920 107.2 53.1 -67.5 -38.7 -33.9 5.5 -9.5 59 60 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.912 107.3 51.8 -60.4 -39.5 -32.3 2.1 -9.1 60 61 A R H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.877 110.0 48.4 -62.5 -38.6 -35.9 0.6 -8.9 61 62 A K H X S+ 0 0 72 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.887 107.8 56.2 -67.3 -38.7 -36.8 2.5 -12.1 62 63 A E H < S+ 0 0 4 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.819 105.4 51.2 -62.3 -34.5 -33.6 1.1 -13.7 63 64 A I H < S+ 0 0 22 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.935 115.3 41.2 -68.1 -44.9 -34.7 -2.5 -12.9 64 65 A K H < S+ 0 0 168 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.820 131.4 25.4 -71.6 -31.3 -38.1 -1.9 -14.4 65 66 A L S >< S- 0 0 115 -4,-2.6 3,-2.3 -5,-0.1 -1,-0.3 -0.646 82.6-144.6-140.4 79.9 -36.7 0.0 -17.4 66 67 A P T 3 S+ 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.148 88.6 34.3 -47.4 127.6 -33.1 -0.8 -18.3 67 68 A G T 3> S+ 0 0 33 -5,-0.1 4,-1.6 0, 0.0 -5,-0.1 0.115 82.9 112.9 109.6 -18.5 -31.4 2.4 -19.5 68 69 A Y H <> S+ 0 0 51 -3,-2.3 4,-0.7 1,-0.2 3,-0.2 0.898 77.4 46.8 -51.0 -48.4 -33.3 4.7 -17.1 69 70 A A H >4>S+ 0 0 0 1,-0.2 5,-1.7 2,-0.2 3,-1.1 0.904 105.8 56.6 -69.2 -42.7 -30.3 5.6 -15.0 70 71 A D H >45S+ 0 0 95 1,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.876 101.5 59.7 -54.2 -37.4 -28.0 6.4 -17.9 71 72 A L H 3<5S+ 0 0 129 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.792 105.9 47.2 -60.9 -30.2 -30.6 8.9 -19.1 72 73 A H T <<5S- 0 0 79 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.223 121.3-112.1 -96.3 12.8 -30.1 10.7 -15.8 73 74 A H T < 5 + 0 0 156 -3,-1.8 63,-0.3 1,-0.2 -3,-0.2 0.862 67.1 146.3 64.0 41.4 -26.3 10.5 -16.2 74 75 A R < - 0 0 65 -5,-1.7 2,-0.3 61,-0.1 60,-0.2 -0.609 51.5-114.7-101.8 162.7 -25.8 8.1 -13.3 75 76 A G E -C 133 0A 0 58,-2.1 58,-2.5 -2,-0.2 2,-0.4 -0.675 35.8-160.4 -87.0 154.3 -23.3 5.3 -12.7 76 77 A V E -C 132 0A 45 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -1.000 15.9-176.5-139.7 137.2 -24.9 1.9 -12.5 77 78 A T E -C 131 0A 4 54,-2.7 54,-2.7 -2,-0.4 2,-0.4 -0.969 8.8-164.0-124.2 152.4 -23.9 -1.5 -11.0 78 79 A R E +C 130 0A 117 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.988 9.9 172.8-132.3 142.8 -25.8 -4.8 -11.2 79 80 A F E +C 129 0A 9 50,-2.1 50,-2.7 -2,-0.4 2,-0.3 -0.975 8.9 154.6-151.7 139.9 -25.4 -7.9 -9.3 80 81 A S E +C 128 0A 41 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.944 7.4 167.0-153.7 170.1 -27.5 -11.1 -9.1 81 82 A G E -C 127 0A 13 46,-1.6 46,-1.9 -2,-0.3 2,-0.2 -0.867 36.4-101.3 175.7 150.3 -27.5 -14.8 -8.4 82 83 A D E +C 126 0A 126 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.534 46.8 169.0 -75.4 148.5 -29.6 -17.9 -7.8 83 84 A Y - 0 0 50 42,-3.0 4,-0.1 -2,-0.2 -2,-0.0 -0.965 32.2-163.3-153.9 173.8 -29.9 -19.0 -4.2 84 85 A E S S+ 0 0 100 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.645 70.9 54.4-128.4 -44.1 -31.8 -21.3 -1.9 85 86 A G S S- 0 0 62 1,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.533 105.9 -24.2 -72.6-138.3 -31.4 -20.3 1.7 86 87 A S >> - 0 0 58 1,-0.1 4,-2.2 4,-0.0 3,-0.9 -0.538 54.8-127.4 -79.1 140.5 -32.2 -16.9 3.3 87 88 A A H 3> S+ 0 0 26 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.881 107.9 56.8 -52.7 -39.3 -32.1 -13.8 1.0 88 89 A I H 3> S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.802 107.8 45.2 -70.0 -30.3 -29.7 -12.1 3.4 89 90 A S H <> S+ 0 0 67 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.896 112.0 51.9 -78.1 -40.7 -27.1 -14.8 3.2 90 91 A A H X S+ 0 0 4 -4,-2.2 4,-3.3 2,-0.2 3,-0.3 0.926 108.0 52.4 -57.1 -47.5 -27.3 -15.1 -0.5 91 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.938 106.0 53.9 -53.6 -51.4 -26.8 -11.3 -0.9 92 93 A K H X S+ 0 0 56 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.854 113.2 43.1 -52.7 -38.7 -23.7 -11.5 1.2 93 94 A E H X S+ 0 0 93 -4,-1.6 4,-2.3 -3,-0.3 3,-0.3 0.891 109.7 55.4 -76.5 -43.0 -22.3 -14.2 -1.1 94 95 A I H X S+ 0 0 16 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.871 105.7 54.4 -55.3 -38.7 -23.4 -12.4 -4.3 95 96 A L H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.814 105.1 52.7 -66.4 -33.4 -21.5 -9.3 -3.0 96 97 A E H < S+ 0 0 89 -4,-0.9 4,-0.5 -3,-0.3 -2,-0.2 0.960 113.0 43.4 -66.7 -47.1 -18.4 -11.5 -2.7 97 98 A T H >< S+ 0 0 24 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.944 112.8 54.2 -59.1 -44.4 -18.8 -12.6 -6.3 98 99 A F H >< S+ 0 0 7 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.845 99.9 61.1 -56.1 -39.1 -19.6 -9.0 -7.2 99 100 A S T 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.578 97.4 59.5 -70.5 -9.3 -16.3 -7.8 -5.6 100 101 A A T < S+ 0 0 45 -3,-1.9 2,-0.9 -4,-0.5 -1,-0.3 0.339 80.8 95.8 -97.6 5.3 -14.4 -10.0 -8.1 101 102 A D <> - 0 0 4 -3,-1.8 4,-2.5 1,-0.2 3,-0.4 -0.817 59.9-165.2 -96.6 100.7 -15.8 -8.1 -11.1 102 103 A K H > S+ 0 0 60 -2,-0.9 4,-1.2 1,-0.3 -1,-0.2 0.796 84.5 51.9 -60.7 -33.3 -13.2 -5.5 -11.8 103 104 A N H > S+ 0 0 86 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.893 111.3 45.6 -73.0 -40.4 -15.4 -3.5 -14.0 104 105 A S H >> S+ 0 0 15 -3,-0.4 4,-1.7 1,-0.2 3,-1.0 0.910 108.8 58.1 -63.6 -41.5 -18.2 -3.2 -11.5 105 106 A M H 3X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.778 91.6 69.1 -65.5 -27.7 -15.7 -2.4 -8.8 106 107 A R H 3X S+ 0 0 63 -4,-1.2 4,-0.7 -5,-0.2 -1,-0.3 0.906 106.3 40.5 -52.3 -44.5 -14.4 0.7 -10.7 107 108 A Q H X< S+ 0 0 12 -3,-1.0 3,-0.9 -4,-0.7 -2,-0.2 0.943 113.5 53.2 -68.8 -47.7 -17.7 2.3 -10.0 108 109 A V H 3< S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.820 118.0 37.3 -51.7 -32.5 -18.0 1.1 -6.4 109 110 A V H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.440 77.5 130.2-112.5 -5.0 -14.6 2.4 -5.6 110 111 A Y X< - 0 0 1 -3,-0.9 3,-1.8 -4,-0.7 -63,-0.1 -0.388 51.5-145.7 -59.8 112.3 -14.5 5.8 -7.6 111 112 A P T 3 S+ 0 0 2 0, 0.0 -64,-0.8 0, 0.0 -1,-0.2 0.630 92.1 56.4 -61.5 -15.2 -13.3 8.4 -5.1 112 113 A K T 3 S+ 0 0 66 -66,-0.1 2,-0.3 23,-0.1 24,-0.1 0.435 78.8 99.7-103.8 -1.6 -15.4 11.2 -6.6 113 114 A A < + 0 0 0 -3,-1.8 -66,-0.2 -6,-0.1 3,-0.1 -0.628 46.7 178.6 -71.1 144.7 -18.8 9.5 -6.3 114 115 A T + 0 0 0 1,-0.4 -64,-2.9 -2,-0.3 2,-0.3 0.484 55.8 23.5-130.6 -11.9 -20.6 10.9 -3.2 115 116 A R E +b 50 0A 26 -66,-0.3 19,-2.4 54,-0.1 20,-0.4 -0.989 55.2 162.9-156.2 156.2 -24.0 9.2 -3.1 116 117 A F E -bD 51 133A 0 -66,-2.3 -64,-2.9 -2,-0.3 2,-0.3 -0.965 13.3-161.0-159.1 166.5 -25.8 6.1 -4.3 117 118 A G E - 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