==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-13 4KE4 . COMPND 2 MOLECULE: HYDROXYCINNAMOYL-COA:SHIKIMATE HYDROXYCINNAMOYL . SOURCE 2 ORGANISM_SCIENTIFIC: SORGHUM BICOLOR; . AUTHOR A.M.WALKER,R.P.HAYES,B.YOUN,W.VERMERRIS,S.E.SATTLER,C.KANG . 437 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.9 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 3 1 0 3 1 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 . 1 1 0 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 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 54 0, 0.0 2,-0.6 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 162.4 -0.7 -72.1 6.8 2 2 A K + 0 0 118 2,-0.0 2,-0.4 0, 0.0 107,-0.4 -0.794 360.0 168.9 -98.4 117.4 -4.3 -72.0 5.6 3 3 A I - 0 0 23 -2,-0.6 2,-0.4 104,-0.2 104,-0.2 -0.992 10.6-169.6-127.3 127.4 -5.3 -69.3 3.1 4 4 A T E -A 106 0A 56 102,-2.1 102,-2.2 -2,-0.4 2,-0.5 -0.952 23.0-128.5-115.3 137.3 -8.6 -69.2 1.2 5 5 A V E -A 105 0A 75 -2,-0.4 100,-0.3 100,-0.2 3,-0.1 -0.705 24.9-179.7 -77.7 125.4 -9.4 -66.9 -1.6 6 6 A R E + 0 0 123 98,-2.1 2,-0.3 -2,-0.5 99,-0.2 0.515 65.2 5.1-105.8 -7.1 -12.7 -65.2 -0.8 7 7 A G E +A 104 0A 30 97,-1.2 97,-2.5 2,-0.0 -1,-0.3 -0.893 55.4 176.9-174.6 140.6 -13.1 -63.1 -3.9 8 8 A S E +A 103 0A 72 -2,-0.3 2,-0.3 95,-0.2 95,-0.2 -0.871 13.5 156.1-156.1 119.0 -11.3 -62.4 -7.2 9 9 A E E -A 102 0A 102 93,-2.4 93,-2.4 -2,-0.3 2,-0.3 -0.991 42.3-109.7-141.3 150.5 -12.3 -60.2 -10.0 10 10 A M E -A 101 0A 57 -2,-0.3 2,-0.4 91,-0.2 91,-0.2 -0.582 32.8-148.6 -70.6 137.7 -10.7 -58.4 -12.9 11 11 A V E -A 100 0A 8 89,-2.5 89,-2.7 -2,-0.3 3,-0.0 -0.951 12.1-161.9-112.5 134.7 -10.7 -54.6 -12.4 12 12 A Y - 0 0 128 -2,-0.4 61,-0.1 87,-0.2 86,-0.1 -0.722 34.4 -79.3-114.5 159.8 -10.9 -52.3 -15.4 13 13 A P - 0 0 20 0, 0.0 58,-0.2 0, 0.0 57,-0.1 -0.336 36.6-127.8 -61.0 144.9 -10.0 -48.6 -15.8 14 14 A A S S+ 0 0 72 56,-2.6 2,-0.3 55,-0.1 57,-0.1 0.478 86.2 22.0 -74.4 -4.8 -12.7 -46.2 -14.4 15 15 A A S S- 0 0 57 55,-0.3 2,-0.1 58,-0.0 0, 0.0 -0.914 101.7 -63.1-150.1 174.9 -12.8 -44.2 -17.7 16 16 A E - 0 0 184 -2,-0.3 -2,-0.1 3,-0.0 81,-0.0 -0.420 54.0-171.4 -63.4 137.8 -12.1 -44.4 -21.4 17 17 A T - 0 0 5 -2,-0.1 57,-0.1 -4,-0.1 56,-0.0 -0.948 33.2 -80.2-132.7 155.1 -8.4 -44.9 -22.1 18 18 A P - 0 0 63 0, 0.0 2,-0.6 0, 0.0 79,-0.2 -0.268 36.4-145.9 -54.9 127.7 -6.3 -44.8 -25.3 19 19 A R + 0 0 173 77,-0.1 2,-0.3 78,-0.0 77,-0.2 -0.894 49.4 116.0 -95.9 120.1 -6.5 -48.0 -27.3 20 20 A R E -F 95 0B 95 75,-0.8 75,-2.7 -2,-0.6 2,-0.5 -0.984 67.6 -95.8-172.1 160.3 -3.1 -48.5 -28.9 21 21 A R E -F 94 0B 116 -2,-0.3 2,-0.6 73,-0.2 73,-0.2 -0.846 37.6-146.2 -91.4 132.4 0.1 -50.5 -29.1 22 22 A L E -F 93 0B 2 71,-2.4 71,-2.3 -2,-0.5 2,-0.1 -0.899 15.6-127.1-104.7 122.9 2.8 -49.2 -26.9 23 23 A W - 0 0 82 -2,-0.6 2,-0.5 69,-0.2 171,-0.3 -0.425 17.3-142.3 -70.4 139.1 6.4 -49.6 -28.2 24 24 A N - 0 0 0 67,-0.4 2,-0.1 -2,-0.1 140,-0.1 -0.901 9.4-144.1-101.9 127.4 9.0 -51.3 -26.0 25 25 A S >> - 0 0 0 -2,-0.5 3,-0.8 281,-0.1 4,-0.6 -0.310 37.9 -91.2 -74.4 170.3 12.5 -50.0 -25.9 26 26 A G H >> S+ 0 0 8 171,-0.5 3,-1.6 1,-0.3 4,-1.6 0.898 128.4 50.5 -48.1 -51.6 15.5 -52.4 -25.5 27 27 A P H 34 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 280,-0.1 0.794 105.6 58.3 -61.1 -27.2 15.5 -52.2 -21.7 28 28 A D H <4 S+ 0 0 0 -3,-0.8 -2,-0.2 278,-0.2 3,-0.2 0.623 110.0 45.9 -71.8 -14.2 11.8 -52.9 -21.7 29 29 A L H << S+ 0 0 17 -3,-1.6 2,-1.7 -4,-0.6 -1,-0.2 0.757 94.2 70.2-102.6 -30.6 12.6 -56.2 -23.5 30 30 A V S < S+ 0 0 24 -4,-1.6 331,-0.2 329,-0.1 -1,-0.2 -0.430 80.9 107.6 -90.0 62.9 15.5 -57.7 -21.6 31 31 A V S S- 0 0 12 -2,-1.7 329,-0.1 -3,-0.2 132,-0.1 -0.910 79.9 -75.0-134.0 158.9 13.4 -58.5 -18.5 32 32 A P - 0 0 60 0, 0.0 130,-0.3 0, 0.0 131,-0.2 -0.196 35.8-134.5 -53.8 147.3 12.0 -61.7 -17.0 33 33 A R S S+ 0 0 132 129,-0.1 2,-0.2 128,-0.1 130,-0.1 0.757 81.8 57.6 -77.3 -27.6 9.0 -63.2 -18.8 34 34 A F S S- 0 0 93 1,-0.1 128,-0.4 127,-0.1 126,-0.1 -0.558 101.7 -67.0-108.1 171.0 6.9 -63.9 -15.7 35 35 A H - 0 0 26 -2,-0.2 126,-0.2 126,-0.1 -1,-0.1 -0.253 40.8-135.5 -61.5 131.1 5.5 -61.7 -13.0 36 36 A T E -B 160 0A 48 124,-2.8 124,-2.2 -4,-0.1 2,-0.3 -0.763 27.7-139.7 -82.5 125.7 8.0 -60.1 -10.6 37 37 A P E +B 159 0A 26 0, 0.0 360,-1.8 0, 0.0 2,-0.3 -0.671 27.5 166.8 -96.0 144.0 6.6 -60.5 -7.0 38 38 A S E -BC 158 396A 20 120,-2.2 120,-3.3 358,-0.3 2,-0.4 -0.979 15.3-154.4-144.2 153.8 6.7 -58.1 -4.1 39 39 A V E -BC 157 395A 0 356,-2.7 356,-2.1 -2,-0.3 2,-0.4 -0.991 3.8-160.3-134.1 136.8 4.8 -58.0 -0.8 40 40 A Y E -BC 156 394A 1 116,-2.6 116,-2.2 -2,-0.4 2,-0.4 -0.924 10.8-156.2-108.4 141.5 3.8 -55.3 1.7 41 41 A F E -BC 155 393A 0 352,-2.7 351,-2.4 -2,-0.4 352,-1.2 -0.967 9.8-175.0-119.2 137.1 2.9 -56.1 5.3 42 42 A F E -B 154 0A 2 112,-3.0 112,-2.4 -2,-0.4 2,-0.3 -0.977 10.4-151.3-129.5 139.2 0.7 -53.9 7.5 43 43 A R - 0 0 88 -2,-0.4 110,-0.1 110,-0.2 109,-0.1 -0.807 22.2-127.4-107.8 155.8 -0.1 -54.2 11.2 44 44 A R S S+ 0 0 68 -2,-0.3 8,-3.4 107,-0.3 9,-0.5 0.632 94.9 51.6 -76.6 -15.6 -3.4 -53.1 12.9 45 45 A R B S-H 51 0C 142 6,-0.2 6,-0.2 7,-0.1 -2,-0.2 -0.903 78.6-132.5-120.3 155.0 -1.4 -51.0 15.5 46 46 A D - 0 0 58 4,-1.8 2,-0.4 -2,-0.3 5,-0.1 0.115 47.2-106.6 -95.2 21.0 1.3 -48.4 14.9 47 47 A A S S+ 0 0 103 1,-0.2 -1,-0.1 3,-0.2 -2,-0.0 0.094 120.1 76.9 77.5 -29.8 3.9 -49.7 17.5 48 48 A D S S- 0 0 139 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.410 121.7-109.7 -77.9 -1.3 3.0 -46.8 19.8 49 49 A G S S+ 0 0 45 1,-0.3 3,-0.1 0, 0.0 -2,-0.0 0.203 70.3 149.7 93.4 -14.0 0.0 -49.1 20.2 50 50 A N - 0 0 87 -5,-0.1 -4,-1.8 1,-0.1 -1,-0.3 -0.269 51.9-116.0 -57.7 130.0 -2.4 -46.8 18.4 51 51 A D B -H 45 0C 95 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.476 20.9-162.7 -66.5 130.2 -5.2 -48.6 16.6 52 52 A L + 0 0 43 -8,-3.4 -7,-0.1 -2,-0.2 -1,-0.1 0.487 50.1 121.2 -97.7 -5.3 -4.9 -48.0 12.8 53 53 A T S S- 0 0 31 -9,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.304 70.7-111.3 -51.2 138.5 -8.5 -49.0 12.1 54 54 A A > - 0 0 25 4,-3.0 3,-2.0 1,-0.1 -1,-0.1 -0.243 24.9-104.2 -73.7 167.5 -10.2 -46.1 10.4 55 55 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.819 124.0 56.2 -63.3 -29.6 -12.9 -44.1 12.1 56 56 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.378 124.4-106.3 -81.2 5.4 -15.5 -45.8 9.9 57 57 A G S < S+ 0 0 53 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.489 75.1 143.0 83.1 4.4 -14.2 -49.1 11.2 58 58 A S + 0 0 15 -5,-0.1 -4,-3.0 3,-0.0 -1,-0.3 -0.401 27.1 174.5 -74.7 151.4 -12.4 -49.9 7.9 59 59 A F S S- 0 0 13 -6,-0.2 -6,-0.1 -2,-0.1 329,-0.0 -0.644 79.4 -24.0-154.8 97.3 -9.0 -51.6 7.5 60 60 A F S S- 0 0 2 1,-0.2 2,-0.6 -2,-0.2 327,-0.0 0.982 77.7-160.8 59.6 59.4 -8.1 -52.3 3.9 61 61 A D > - 0 0 66 1,-0.2 4,-2.1 2,-0.0 3,-0.2 -0.624 11.2-146.7 -72.6 116.4 -11.6 -52.4 2.6 62 62 A G H > S+ 0 0 2 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.787 94.8 54.5 -54.0 -34.1 -11.5 -54.2 -0.8 63 63 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 109.4 44.5 -70.9 -48.1 -14.3 -52.1 -2.2 64 64 A R H > S+ 0 0 59 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.860 116.8 49.0 -60.8 -37.4 -12.6 -48.7 -1.5 65 65 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 110.1 48.5 -69.8 -46.5 -9.3 -50.2 -2.8 66 66 A R H X S+ 0 0 61 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.878 111.3 53.6 -59.7 -38.3 -10.8 -51.6 -6.0 67 67 A R H X S+ 0 0 151 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.953 111.4 43.0 -58.3 -53.9 -12.4 -48.2 -6.5 68 68 A A H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.824 111.8 56.3 -65.7 -32.4 -9.1 -46.4 -6.2 69 69 A L H >X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.7 0.974 104.6 49.9 -61.6 -56.4 -7.4 -49.0 -8.4 70 70 A A H 3< S+ 0 0 16 -4,-2.4 -56,-2.6 1,-0.3 -55,-0.3 0.847 112.1 51.4 -51.9 -36.1 -9.8 -48.5 -11.3 71 71 A E H >< S+ 0 0 105 -4,-1.5 3,-1.0 -58,-0.2 -1,-0.3 0.832 107.5 49.8 -69.7 -36.2 -9.1 -44.8 -11.0 72 72 A A H < S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 4,-0.3 -0.066 75.1 143.2 -88.3 38.6 -1.6 -45.7 -15.8 77 77 A Y G X + 0 0 21 -3,-1.0 3,-1.9 -2,-0.3 20,-0.3 0.721 57.5 67.0 -57.0 -30.3 -3.6 -47.4 -18.5 78 78 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.844 89.9 67.9 -60.1 -26.4 -0.8 -49.6 -19.9 79 79 A M G < S+ 0 0 0 -3,-2.2 62,-0.4 1,-0.3 63,-0.2 0.772 98.5 52.7 -60.5 -22.3 -0.9 -51.4 -16.6 80 80 A A G < S+ 0 0 0 -3,-1.9 19,-0.9 -4,-0.3 18,-0.6 0.372 97.7 91.4 -94.0 4.6 -4.3 -52.7 -17.7 81 81 A G < - 0 0 0 -3,-2.1 60,-0.7 16,-0.2 2,-0.3 0.013 67.4-124.4 -88.9-166.9 -3.1 -54.0 -21.0 82 82 A R E -G 94 0B 23 12,-2.3 12,-2.1 58,-0.1 55,-0.1 -0.864 29.4 -94.2-131.9 165.8 -1.8 -57.3 -22.3 83 83 A L E +G 93 0B 10 53,-0.6 2,-0.3 56,-0.4 10,-0.2 -0.411 49.5 157.6 -74.5 162.4 1.4 -58.4 -24.1 84 84 A A E -G 92 0B 11 8,-1.2 8,-3.2 -2,-0.1 2,-0.3 -0.949 31.3-122.2-172.3 168.2 1.4 -58.7 -27.9 85 85 A R E -G 91 0B 139 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.948 18.3-132.7-127.2 148.1 3.8 -58.7 -30.8 86 86 A D > - 0 0 40 4,-1.9 3,-2.4 -2,-0.3 6,-0.0 -0.226 46.8 -78.7 -84.9-178.4 4.1 -56.4 -33.8 87 87 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.862 134.2 49.6 -44.0 -43.7 4.6 -57.4 -37.5 88 88 A D T 3 S- 0 0 130 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.477 120.3-108.6 -82.2 -2.7 8.3 -58.0 -36.8 89 89 A G < + 0 0 30 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.542 67.8 149.6 87.3 7.6 7.6 -60.1 -33.7 90 90 A R - 0 0 52 1,-0.1 -4,-1.9 -5,-0.0 -1,-0.3 -0.616 51.4-116.2 -76.1 125.7 8.8 -57.5 -31.2 91 91 A V E + G 0 85B 21 -2,-0.4 -67,-0.4 -6,-0.2 2,-0.3 -0.354 45.6 164.5 -60.4 136.5 6.9 -57.7 -27.9 92 92 A E E - G 0 84B 19 -8,-3.2 -8,-1.2 -69,-0.1 2,-0.8 -0.900 42.0 -92.6-143.3 174.5 4.9 -54.6 -27.2 93 93 A I E -FG 22 83B 0 -71,-2.3 -71,-2.4 -2,-0.3 2,-1.1 -0.833 26.8-152.0 -98.1 108.1 2.1 -53.5 -24.8 94 94 A D E -FG 21 82B 41 -12,-2.1 -12,-2.3 -2,-0.8 2,-1.9 -0.667 10.8-153.9 -73.1 100.5 -1.4 -54.0 -26.2 95 95 A C E +F 20 0B 2 -75,-2.7 -75,-0.8 -2,-1.1 -14,-0.1 -0.550 45.0 137.5 -78.9 80.0 -3.2 -51.2 -24.3 96 96 A N - 0 0 47 -2,-1.9 -1,-0.2 -77,-0.2 -15,-0.1 0.281 66.4-121.8-108.1 6.5 -6.7 -52.9 -24.5 97 97 A A + 0 0 11 -20,-0.3 -16,-0.2 -79,-0.2 3,-0.1 0.830 54.2 156.6 49.7 38.2 -7.8 -52.2 -21.0 98 98 A A - 0 0 27 -18,-0.6 -17,-0.2 1,-0.2 -1,-0.1 0.356 50.9-130.3 -71.8 6.1 -8.3 -56.0 -20.4 99 99 A G - 0 0 0 -19,-0.9 2,-0.4 -22,-0.1 42,-0.3 0.295 10.6 -81.5 79.3 167.3 -7.8 -55.1 -16.7 100 100 A V E -A 11 0A 0 -89,-2.7 -89,-2.5 40,-0.1 2,-0.3 -0.927 39.8-113.6-115.4 139.5 -5.9 -56.1 -13.6 101 101 A L E -Ad 10 143A 24 41,-1.3 43,-2.1 -2,-0.4 2,-0.4 -0.515 30.0-174.0 -72.9 127.7 -6.7 -59.0 -11.3 102 102 A F E +Ad 9 144A 2 -93,-2.4 -93,-2.4 -2,-0.3 2,-0.4 -0.989 6.0 178.0-123.2 123.6 -7.7 -58.1 -7.7 103 103 A Q E -Ad 8 145A 26 41,-2.4 43,-2.8 -2,-0.4 2,-0.4 -0.940 16.4-154.4-123.3 147.6 -8.2 -60.9 -5.1 104 104 A E E +Ad 7 146A 20 -97,-2.5 -98,-2.1 -2,-0.4 -97,-1.2 -0.940 21.9 178.5-114.6 145.7 -9.0 -60.8 -1.4 105 105 A A E -Ad 5 147A 0 41,-2.9 43,-3.0 -2,-0.4 2,-0.4 -0.941 18.6-139.0-144.8 165.8 -8.0 -63.6 0.9 106 106 A D E -Ad 4 148A 42 -102,-2.2 -102,-2.1 -2,-0.3 43,-0.2 -0.979 9.0-165.5-131.5 138.9 -8.1 -64.8 4.5 107 107 A A E - d 0 149A 1 41,-3.0 43,-1.7 -2,-0.4 3,-0.3 -0.835 19.6-179.2-118.3 86.7 -5.6 -66.5 6.8 108 108 A P S S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -105,-0.1 0.804 76.0 30.4 -57.9 -40.0 -8.1 -67.6 9.5 109 109 A D S S+ 0 0 118 -107,-0.4 2,-0.4 -3,-0.1 -106,-0.1 0.567 108.9 71.4-103.0 -12.9 -5.6 -69.3 11.9 110 110 A A - 0 0 15 -108,-0.3 40,-1.8 -3,-0.3 2,-0.2 -0.845 60.3-147.2-116.5 142.9 -2.4 -67.4 11.3 111 111 A T > - 0 0 39 -2,-0.4 3,-2.1 38,-0.2 4,-0.2 -0.553 40.2-103.3 -91.9 167.9 -1.1 -63.9 12.1 112 112 A I G > S+ 0 0 5 38,-0.4 3,-2.3 1,-0.3 4,-0.1 0.775 116.5 78.2 -64.6 -19.1 1.3 -62.0 9.9 113 113 A D G > S+ 0 0 91 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.648 70.5 82.8 -62.4 -16.3 4.0 -63.0 12.4 114 114 A Y G < S+ 0 0 107 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.832 87.8 55.5 -51.1 -32.0 3.9 -66.4 10.8 115 115 A F G X S- 0 0 19 -3,-2.3 3,-2.4 1,-0.2 4,-0.5 0.470 89.9-171.3 -88.7 -1.1 6.2 -64.8 8.3 116 116 A G T < S+ 0 0 47 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 -0.257 70.1 4.8 61.1-115.1 8.7 -63.8 11.0 117 117 A D T 3 S- 0 0 98 -2,-0.2 -1,-0.3 114,-0.0 -4,-0.1 0.428 102.3-115.3 -84.4 0.3 11.5 -61.5 9.7 118 118 A F < + 0 0 17 -3,-2.4 -2,-0.2 1,-0.2 112,-0.1 0.744 48.4 177.3 70.3 26.3 9.7 -61.5 6.3 119 119 A A - 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