==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-06 2E1V . COMPND 2 MOLECULE: ACYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSANTHEMUM X MORIFOLIUM; . AUTHOR H.UNNO,F.ICHIMAIDA,M.KUSUNOKI,T.NAKAYAMA . 880 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 17.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 59 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 4 2 4 0 0 0 2 0 0 2 4 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 0 4 2 8 0 0 0 8 2 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 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 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 6 A I 0 0 139 0, 0.0 105,-2.1 0, 0.0 106,-0.5 0.000 360.0 360.0 360.0 -31.1 7.1 23.8 63.2 2 7 A L E -A 105 0A 49 103,-0.2 2,-0.4 104,-0.1 103,-0.2 -0.995 360.0-173.0-131.8 130.9 10.6 25.0 64.2 3 8 A T E -A 104 0A 68 101,-3.0 101,-2.8 -2,-0.4 2,-0.7 -0.983 20.9-137.0-120.2 126.3 11.7 28.6 65.0 4 9 A V E +A 103 0A 71 -2,-0.4 99,-0.3 99,-0.2 3,-0.1 -0.742 22.5 178.0 -83.3 115.6 15.3 29.5 65.6 5 10 A L E - 0 0 81 97,-1.9 2,-0.3 -2,-0.7 98,-0.2 0.860 65.9 -0.2 -83.7 -43.2 15.5 31.8 68.6 6 11 A E E -A 102 0A 72 96,-2.0 96,-3.2 2,-0.0 2,-0.7 -0.972 49.0-155.4-152.7 135.6 19.2 32.3 68.8 7 12 A Q E +A 101 0A 123 -2,-0.3 2,-0.2 94,-0.2 94,-0.2 -0.932 37.1 174.4-106.3 104.9 22.3 31.2 66.9 8 13 A S E -A 100 0A 8 92,-2.8 92,-2.5 -2,-0.7 2,-0.4 -0.644 30.4-141.4-113.7 165.1 25.1 31.4 69.5 9 14 A Q E -A 99 0A 119 90,-0.2 2,-0.5 -2,-0.2 90,-0.2 -0.998 17.5-159.3-125.3 125.3 28.8 30.6 69.8 10 15 A V E +A 98 0A 9 88,-3.1 88,-3.1 -2,-0.4 52,-0.0 -0.927 14.1 173.4-112.9 125.1 30.1 29.3 73.1 11 16 A S - 0 0 43 -2,-0.5 86,-0.1 86,-0.2 58,-0.1 -0.797 41.5 -85.5-119.4 163.5 33.8 29.4 74.1 12 17 A P - 0 0 11 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.257 66.1 -79.5 -58.9 160.2 35.7 28.6 77.2 13 18 A P > - 0 0 31 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.203 61.9 -81.5 -60.4 154.6 35.8 31.5 79.7 14 19 A P T 3 S+ 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.271 112.2 12.6 -57.7 145.5 38.4 34.3 79.0 15 20 A D T 3 S+ 0 0 170 2,-0.2 3,-0.1 -3,-0.1 0, 0.0 0.870 102.0 97.4 54.8 46.7 42.0 33.6 80.2 16 21 A T S < S+ 0 0 57 -3,-0.7 2,-0.4 1,-0.3 -1,-0.1 0.610 78.2 35.3-126.1 -36.4 41.5 29.9 80.8 17 22 A L - 0 0 24 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.989 57.6-168.1-129.7 129.8 42.7 28.0 77.7 18 23 A G - 0 0 34 -2,-0.4 74,-0.1 1,-0.2 2,-0.0 -0.385 55.3 -52.9 -92.9-177.7 45.6 28.7 75.4 19 24 A D + 0 0 99 -2,-0.1 2,-0.3 74,-0.1 74,-0.2 -0.333 67.9 177.8 -54.2 134.5 46.2 27.0 72.0 20 25 A K E -F 92 0B 95 72,-2.3 72,-3.4 -3,-0.1 2,-0.3 -0.999 16.6-162.5-147.2 141.8 46.1 23.2 72.5 21 26 A S E -F 91 0B 59 -2,-0.3 2,-0.4 70,-0.2 70,-0.2 -0.844 6.1-154.7-118.3 158.4 46.4 20.1 70.3 22 27 A L E -F 90 0B 5 68,-2.5 68,-2.5 -2,-0.3 2,-0.2 -0.987 17.0-138.5-131.2 124.0 45.6 16.5 70.8 23 28 A Q E -F 89 0B 84 -2,-0.4 2,-0.2 66,-0.2 66,-0.1 -0.544 21.8-137.9 -80.1 149.4 47.4 13.8 68.8 24 29 A L - 0 0 12 64,-0.6 2,-0.2 -2,-0.2 -1,-0.1 -0.622 8.3-146.3-109.9 162.7 45.3 10.9 67.5 25 30 A T >> - 0 0 4 -2,-0.2 4,-2.7 289,-0.1 3,-1.2 -0.705 40.1 -92.5-117.8 171.9 45.7 7.1 67.2 26 31 A F H 3> S+ 0 0 0 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.799 124.9 63.3 -52.4 -32.3 44.7 4.5 64.7 27 32 A F H 34 S+ 0 0 10 1,-0.2 4,-0.3 287,-0.2 -1,-0.3 0.863 111.1 37.5 -61.1 -38.2 41.5 4.0 66.8 28 33 A D H X4 S+ 0 0 1 -3,-1.2 3,-1.6 286,-0.2 -2,-0.2 0.866 111.2 58.1 -79.0 -41.4 40.6 7.6 65.9 29 34 A F H >< S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.3 4,-0.2 0.794 91.4 72.4 -62.1 -28.5 41.9 7.5 62.3 30 35 A F T 3< S+ 0 0 26 -4,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.840 98.8 48.5 -49.5 -36.3 39.5 4.6 61.6 31 36 A W T X S+ 0 0 26 -3,-1.6 3,-2.0 -4,-0.3 135,-0.3 0.271 74.0 116.5 -95.5 10.6 36.6 7.2 61.8 32 37 A L T < S+ 0 0 1 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.822 85.7 32.3 -47.5 -44.6 38.2 9.8 59.4 33 38 A R T 3 S+ 0 0 39 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.098 91.6 128.8-105.1 21.1 35.4 9.5 56.8 34 39 A S < - 0 0 7 -3,-2.0 774,-0.2 1,-0.1 132,-0.1 -0.404 59.9-113.2 -77.8 152.3 32.5 8.7 59.1 35 40 A P - 0 0 17 0, 0.0 130,-0.3 0, 0.0 -1,-0.1 -0.396 48.4 -80.3 -74.5 162.1 29.1 10.6 59.0 36 41 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 128,-0.2 -0.216 38.2-126.1 -60.5 153.2 28.1 12.7 62.0 37 42 A I E -B 163 0A 23 126,-3.1 126,-2.2 -3,-0.1 2,-0.5 -0.892 25.7-164.4 -97.7 132.0 26.6 11.1 65.1 38 43 A N E +B 162 0A 15 -2,-0.5 362,-1.4 124,-0.2 361,-1.2 -0.975 10.7 174.2-124.3 121.6 23.3 12.7 66.2 39 44 A N E -BC 161 398A 22 122,-2.7 122,-3.1 -2,-0.5 2,-0.4 -0.954 12.8-157.3-126.9 145.7 21.7 12.2 69.6 40 45 A L E -BC 160 397A 1 357,-2.9 357,-1.9 -2,-0.4 2,-0.5 -0.962 5.4-166.9-121.4 140.6 18.7 13.6 71.4 41 46 A F E -BC 159 396A 9 118,-2.4 118,-2.9 -2,-0.4 2,-0.4 -0.993 14.6-159.9-120.9 118.9 17.8 13.9 75.0 42 47 A F E -BC 158 395A 0 353,-2.9 352,-2.8 -2,-0.5 353,-1.2 -0.866 7.3-170.2-103.7 133.4 14.2 14.8 75.7 43 48 A Y E -B 157 0A 1 114,-2.9 114,-1.9 -2,-0.4 2,-0.5 -0.973 15.3-141.0-124.8 136.6 13.1 16.3 79.0 44 49 A E E +B 156 0A 91 -2,-0.4 112,-0.3 348,-0.3 111,-0.0 -0.843 41.4 134.5 -94.6 126.0 9.6 16.9 80.4 45 50 A L - 0 0 30 110,-2.1 2,-2.5 -2,-0.5 -2,-0.1 -0.881 61.7-112.6-167.9 143.3 9.1 20.2 82.3 46 51 A P + 0 0 120 0, 0.0 2,-0.4 0, 0.0 109,-0.1 -0.326 56.4 165.8 -79.1 61.6 6.4 22.9 82.3 47 52 A I - 0 0 12 -2,-2.5 107,-3.4 105,-0.2 108,-0.4 -0.659 24.4-148.7 -91.0 127.5 8.8 25.5 80.9 48 53 A T > - 0 0 58 -2,-0.4 4,-2.5 105,-0.2 5,-0.2 -0.462 26.7-112.4 -86.2 161.5 7.5 28.8 79.5 49 54 A R H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 118.2 50.7 -55.1 -45.6 9.1 30.8 76.6 50 55 A S H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 111.5 45.8 -63.7 -43.1 10.0 33.6 79.1 51 56 A Q H >>S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-1.2 0.901 109.3 56.0 -68.4 -38.9 11.6 31.2 81.6 52 57 A F H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.934 114.3 40.0 -55.2 -49.0 13.5 29.4 78.7 53 58 A T H <5S+ 0 0 74 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.896 116.9 50.6 -64.2 -43.1 15.0 32.8 77.6 54 59 A E H <5S- 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.875 133.7 -4.2 -71.3 -42.1 15.6 34.0 81.2 55 60 A T T X5S+ 0 0 56 -4,-2.8 4,-2.6 -5,-0.1 5,-0.2 0.737 124.5 57.5-121.1 -43.5 17.5 31.1 82.7 56 61 A V H > S+ 0 0 57 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.893 115.4 52.5 -60.9 -37.4 22.1 31.6 79.9 59 64 A N H X S+ 0 0 71 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.900 109.0 49.1 -66.1 -41.6 22.6 28.4 82.0 60 65 A I H X S+ 0 0 4 -4,-3.1 4,-2.3 -5,-0.2 5,-0.3 0.958 115.7 44.1 -59.1 -51.0 23.3 26.3 78.9 61 66 A K H X S+ 0 0 62 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.944 117.5 43.9 -59.3 -51.3 25.9 28.9 77.6 62 67 A H H X S+ 0 0 93 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.926 116.4 45.0 -62.0 -50.1 27.5 29.4 81.0 63 68 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.885 115.5 47.2 -67.0 -38.7 27.7 25.7 82.0 64 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.939 109.7 54.2 -66.4 -46.1 28.9 24.6 78.6 65 70 A S H X S+ 0 0 21 -4,-2.7 4,-1.0 -5,-0.3 -2,-0.2 0.931 111.1 44.9 -50.2 -51.8 31.6 27.4 78.6 66 71 A I H >< S+ 0 0 16 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.897 111.9 52.5 -63.5 -41.7 32.9 26.2 82.0 67 72 A T H >X S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-1.0 0.877 101.8 61.6 -59.5 -40.3 32.9 22.5 80.9 68 73 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 7,-0.2 0.790 91.4 64.6 -61.0 -30.2 34.9 23.4 77.7 69 74 A K T << S+ 0 0 70 -4,-1.0 -1,-0.3 -3,-0.6 3,-0.3 0.760 111.2 38.3 -66.2 -20.0 37.8 24.6 79.7 70 75 A H T <4 S+ 0 0 37 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.608 121.0 45.4 -99.1 -18.4 38.2 21.0 81.0 71 76 A F >< + 0 0 0 -4,-1.0 3,-1.6 1,-0.1 4,-0.5 -0.514 66.7 166.6-126.0 60.8 37.3 19.4 77.7 72 77 A Y G > + 0 0 10 1,-0.3 3,-1.5 -3,-0.3 4,-0.4 0.788 69.5 61.6 -52.5 -37.8 39.3 21.3 75.1 73 78 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.830 93.3 66.3 -62.9 -27.1 38.9 18.9 72.1 74 79 A F G < S+ 0 0 3 -3,-1.6 71,-0.2 1,-0.3 70,-0.2 0.773 108.6 38.7 -61.7 -26.4 35.1 19.5 72.2 75 80 A V G < S+ 0 0 3 -3,-1.5 -1,-0.3 -4,-0.5 18,-0.3 0.325 108.8 86.8-104.2 6.3 35.7 23.1 71.2 76 81 A G S < S- 0 0 4 -3,-1.2 68,-1.0 -4,-0.4 2,-0.3 -0.241 72.3-120.1 -94.3-176.4 38.5 22.1 68.8 77 82 A K E -GH 91 143B 33 14,-2.7 14,-2.5 66,-0.2 2,-0.5 -0.949 19.6-113.4-126.4 149.2 38.5 21.1 65.1 78 83 A L E -GH 90 142B 0 64,-2.9 64,-2.5 -2,-0.3 2,-0.5 -0.706 35.9-157.4 -75.2 125.4 39.7 18.0 63.3 79 84 A V E -GH 89 141B 3 10,-3.3 10,-1.6 -2,-0.5 2,-0.5 -0.934 10.6-173.1-113.3 121.6 42.6 19.1 61.2 80 85 A V E - H 0 140B 0 60,-2.2 60,-1.8 -2,-0.5 7,-0.1 -0.972 7.5-157.1-117.2 126.0 43.6 17.0 58.1 81 86 A Y - 0 0 19 -2,-0.5 58,-0.2 5,-0.5 143,-0.1 -0.750 19.0-133.9-102.3 146.5 46.7 17.8 56.1 82 87 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 57,-0.1 0.736 81.0 93.7 -72.3 -22.4 47.2 16.8 52.4 83 88 A A S S- 0 0 38 1,-0.1 -2,-0.2 4,-0.0 3,-0.1 -0.581 76.2-137.9 -74.2 128.1 50.8 15.5 53.0 84 89 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.496 101.2 56.6 -64.4 -3.4 50.8 11.7 53.7 85 90 A T S S+ 0 0 112 1,-0.1 2,-0.5 2,-0.1 -4,-0.0 0.907 87.9 72.6 -91.2 -56.8 53.4 12.5 56.4 86 91 A K S S- 0 0 110 -3,-0.1 -5,-0.5 1,-0.1 -1,-0.1 -0.507 80.2-139.8 -70.7 112.7 51.6 15.0 58.7 87 92 A K - 0 0 60 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.379 22.2 -98.8 -73.4 146.0 48.9 13.0 60.7 88 93 A P + 0 0 1 0, 0.0 -64,-0.6 0, 0.0 2,-0.3 -0.335 50.1 175.7 -58.6 150.1 45.5 14.5 61.4 89 94 A E E -FG 23 79B 26 -10,-1.6 -10,-3.3 -66,-0.1 2,-0.6 -0.924 35.2-105.1-147.8 166.2 45.1 16.0 64.8 90 95 A I E -FG 22 78B 0 -68,-2.5 -68,-2.5 -2,-0.3 2,-0.5 -0.912 39.0-169.5 -98.6 124.4 42.6 17.9 66.9 91 96 A C E -FG 21 77B 14 -14,-2.5 -14,-2.7 -2,-0.6 2,-0.5 -0.967 13.8-170.0-117.5 130.1 43.5 21.6 67.3 92 97 A Y E -F 20 0B 13 -72,-3.4 -72,-2.3 -2,-0.5 2,-0.4 -0.974 12.0-175.5-107.9 131.3 42.0 24.1 69.6 93 98 A V > - 0 0 53 -2,-0.5 3,-2.7 -18,-0.3 -74,-0.1 -0.969 39.4 -92.6-124.2 140.6 43.0 27.8 68.9 94 99 A E T 3 S+ 0 0 125 -2,-0.4 3,-0.1 1,-0.3 -76,-0.1 -0.275 116.9 37.9 -51.6 131.8 42.0 30.8 71.0 95 100 A G T 3 S+ 0 0 68 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 0.033 84.8 129.8 107.9 -25.8 38.8 32.2 69.5 96 101 A D < - 0 0 21 -3,-2.7 -1,-0.4 1,-0.0 2,-0.3 -0.302 35.2-178.2 -62.6 147.3 37.4 28.7 68.6 97 102 A S - 0 0 36 -86,-0.1 2,-0.5 -3,-0.1 -86,-0.2 -0.948 29.2-114.0-145.7 162.0 33.8 28.2 69.7 98 103 A V E -A 10 0A 2 -88,-3.1 -88,-3.1 -2,-0.3 2,-0.5 -0.877 33.1-123.4 -98.7 130.9 31.0 25.6 69.8 99 104 A A E -A 9 0A 34 46,-0.5 48,-2.3 -2,-0.5 2,-0.5 -0.641 31.8-176.0 -71.7 119.2 27.9 26.4 67.7 100 105 A V E -Ad 8 147A 0 -92,-2.5 -92,-2.8 -2,-0.5 2,-0.5 -0.972 5.8-163.7-124.8 114.7 24.9 26.3 70.0 101 106 A T E -Ad 7 148A 13 46,-2.6 48,-3.1 -2,-0.5 2,-0.5 -0.838 3.1-160.4 -98.4 130.5 21.4 26.8 68.5 102 107 A F E +Ad 6 149A 0 -96,-3.2 -96,-2.0 -2,-0.5 -97,-1.9 -0.953 24.6 164.4-110.4 131.2 18.4 27.7 70.6 103 108 A A E -Ad 4 150A 0 46,-2.4 48,-3.2 -2,-0.5 2,-0.4 -0.851 33.0-131.7-140.2 170.4 15.1 26.9 69.0 104 109 A E E -Ad 3 151A 24 -101,-2.8 -101,-3.0 -2,-0.3 2,-0.4 -0.996 17.1-161.9-128.8 134.4 11.4 26.5 69.6 105 110 A C E -A 2 0A 1 46,-3.2 -103,-0.2 -2,-0.4 4,-0.1 -0.974 10.8-164.4-120.9 130.1 9.3 23.6 68.3 106 111 A N + 0 0 91 -105,-2.1 -104,-0.1 -2,-0.4 2,-0.1 0.401 56.2 110.3 -97.0 3.0 5.5 23.7 68.1 107 112 A L S S- 0 0 31 -106,-0.5 2,-0.4 1,-0.1 -2,-0.1 -0.439 85.2 -95.6 -65.5 148.8 5.0 19.9 67.7 108 113 A D > - 0 0 55 1,-0.2 3,-1.5 -2,-0.1 4,-0.1 -0.572 27.9-145.5 -67.6 123.6 3.4 18.2 70.6 109 114 A L G >> S+ 0 0 1 -2,-0.4 3,-1.8 1,-0.3 4,-1.6 0.841 99.1 62.3 -61.3 -33.6 6.3 16.8 72.7 110 115 A N G 34 S+ 0 0 96 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.683 95.4 61.4 -65.1 -18.6 4.1 13.8 73.6 111 116 A E G <4 S+ 0 0 109 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.433 113.0 36.4 -85.8 -0.5 4.1 12.9 69.9 112 117 A L T <4 S+ 0 0 1 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.1 0.635 107.4 58.8-119.4 -28.1 7.9 12.5 70.0 113 118 A T S < S+ 0 0 7 -4,-1.6 -3,-0.1 282,-0.0 -2,-0.1 0.475 84.8 95.4 -93.4 -2.7 8.8 11.0 73.3 114 119 A G S S- 0 0 30 -4,-0.4 4,-0.1 1,-0.1 -3,-0.0 -0.077 75.4-124.2 -76.5-177.7 6.8 7.8 73.0 115 120 A N S S+ 0 0 50 127,-0.1 128,-2.9 2,-0.1 3,-0.1 0.538 76.9 95.6-106.6 -11.1 8.0 4.3 71.8 116 121 A H S S- 0 0 156 126,-0.2 125,-0.1 1,-0.2 -2,-0.1 -0.304 94.2 -62.1 -80.9 163.1 5.5 3.7 69.0 117 122 A P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 125,-0.2 -0.226 60.7 169.8 -51.5 124.8 6.2 4.4 65.4 118 123 A R E -J 241 0C 22 123,-2.1 123,-3.5 -3,-0.1 -6,-0.1 -0.973 46.4 -85.3-131.1 145.8 6.8 8.2 64.7 119 124 A N E > -J 240 0C 50 -2,-0.3 3,-1.3 121,-0.2 4,-0.3 -0.282 31.1-143.0 -54.8 125.3 8.1 9.7 61.5 120 125 A a G > S+ 0 0 0 119,-2.4 3,-1.8 1,-0.2 4,-0.3 0.888 97.5 61.5 -55.6 -38.8 11.9 9.7 61.4 121 126 A D G > S+ 0 0 41 118,-0.5 3,-0.7 1,-0.3 4,-0.4 0.647 85.2 74.7 -71.8 -11.7 12.0 13.0 59.7 122 127 A K G < S+ 0 0 78 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.687 95.8 52.7 -68.0 -17.1 10.3 14.8 62.6 123 128 A F G X S+ 0 0 0 -3,-1.8 3,-1.5 -4,-0.3 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54.9 -55.5 -39.3 33.8 -17.0 33.0 613 176 B S H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 107.5 49.3 -60.7 -42.8 36.3 -16.8 30.1 614 177 B T H > S+ 0 0 3 141,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.923 112.1 48.2 -62.3 -44.7 37.9 -20.1 31.2 615 178 B R H X S+ 0 0 38 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.870 110.8 51.3 -63.4 -38.9 34.4 -21.8 31.3 616 179 B F H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 108.3 51.5 -64.1 -45.2 33.5 -20.4 27.9 617 180 B C H X S+ 0 0 13 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.932 113.3 45.6 -55.3 -48.4 36.8 -21.8 26.4 618 181 B F H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.919 113.2 48.0 -62.2 -48.7 36.0 -25.2 27.8 619 182 B L H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.841 107.8 55.4 -66.7 -33.4 32.3 -25.2 26.7 620 183 B K H X S+ 0 0 79 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.920 113.4 43.3 -60.7 -43.5 33.3 -24.1 23.2 621 184 B A H X S+ 0 0 1 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.949 114.1 48.5 -65.7 -52.0 35.6 -27.1 23.0 622 185 B W H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.934 113.4 46.7 -57.1 -47.3 33.2 -29.6 24.6 623 186 B T H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.874 111.4 52.3 -64.9 -39.6 30.3 -28.5 22.3 624 187 B S H X S+ 0 0 18 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.932 111.5 46.6 -57.5 -48.9 32.6 -28.7 19.2 625 188 B I H <>S+ 0 0 0 -4,-2.6 6,-1.5 2,-0.2 5,-1.4 0.898 115.6 46.1 -63.8 -41.7 33.6 -32.2 20.1 626 189 B A H ><5S+ 0 0 16 -4,-2.7 3,-1.6 -5,-0.2 4,-0.4 0.943 111.9 50.3 -63.9 -51.4 30.0 -33.3 20.8 627 190 B R H 3<5S+ 0 0 124 -4,-3.1 -2,-0.2 202,-0.3 -1,-0.2 0.810 107.1 54.5 -58.1 -36.1 28.6 -31.7 17.6 628 191 B S T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 3,-0.2 -2,-0.2 0.134 130.1 -89.3 -91.7 21.7 31.2 -33.4 15.4 629 192 B G T < 5S- 0 0 54 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.2 0.899 81.3 -50.2 78.2 45.7 30.4 -36.8 16.7 630 193 B N S + 0 0 24 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.307 67.3 101.5 -97.7 8.0 38.4 -33.5 18.6 633 196 B E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 86.7 42.7 -56.1 -48.7 39.8 -33.2 15.0 634 197 B S H >>S+ 0 0 46 -3,-0.3 4,-2.7 2,-0.2 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