==== 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 TRANSFERASE 04-DEC-07 3BJV . COMPND 2 MOLECULE: RMPA; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR J.LEI,Y.H.LIANG,X.D.SU . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 7.1 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 0 2 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 80 0, 0.0 2,-0.3 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 135.0 10.3 -8.5 -1.5 2 2 A N > - 0 0 57 1,-0.1 4,-2.4 116,-0.0 5,-0.2 -0.680 360.0-124.3 -86.3 138.2 7.5 -11.0 -2.2 3 3 A L H > S+ 0 0 1 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.917 105.7 49.0 -45.4 -57.5 7.6 -13.0 -5.5 4 4 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 114.3 44.1 -52.9 -49.3 4.1 -12.0 -6.8 5 5 A Q H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 113.1 51.6 -68.6 -39.5 4.6 -8.3 -6.3 6 6 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.942 110.9 49.4 -57.2 -50.3 8.2 -8.4 -7.7 7 7 A F H X>S+ 0 0 4 -4,-2.8 5,-1.3 -5,-0.2 4,-0.7 0.914 115.9 42.3 -55.0 -49.4 6.8 -10.2 -10.8 8 8 A K H ><5S+ 0 0 135 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.949 116.9 45.0 -64.0 -53.0 4.0 -7.7 -11.2 9 9 A E H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.842 121.5 38.8 -61.0 -39.3 6.1 -4.5 -10.5 10 10 A N H 3<5S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.3 26,-0.2 0.513 95.3-137.6 -89.9 -2.1 9.0 -5.7 -12.7 11 11 A H T <<5 + 0 0 139 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.879 55.1 147.2 39.5 49.1 6.8 -7.2 -15.5 12 12 A S < + 0 0 0 -5,-1.3 70,-2.6 -6,-0.3 2,-0.6 0.167 23.7 100.8-107.5 17.3 9.4 -9.9 -15.3 13 13 A I E +a 82 0A 15 -6,-0.4 2,-0.4 68,-0.2 70,-0.2 -0.929 44.1 169.0 -96.0 115.5 7.4 -13.0 -16.1 14 14 A R E -a 83 0A 84 68,-2.6 70,-1.1 -2,-0.6 3,-0.3 -0.986 14.7-164.8-131.2 114.6 8.1 -13.8 -19.8 15 15 A L E + 0 0 33 -2,-0.4 70,-0.1 68,-0.2 71,-0.1 -0.710 53.2 20.5-112.4 159.0 6.9 -17.2 -21.0 16 16 A G E S+ 0 0 45 -2,-0.2 69,-0.2 1,-0.2 2,-0.2 0.848 76.8 160.7 61.7 42.1 7.5 -19.6 -23.9 17 17 A L E -a 85 0A 53 67,-2.5 69,-1.8 -3,-0.3 2,-0.4 -0.553 34.1-134.7 -94.6 157.5 10.8 -18.2 -25.0 18 18 A T + 0 0 92 67,-0.2 2,-0.4 -2,-0.2 67,-0.0 -0.961 22.7 176.9-116.7 129.0 13.4 -19.9 -27.2 19 19 A A - 0 0 13 -2,-0.4 68,-0.1 68,-0.3 3,-0.1 -0.977 21.9-155.0-127.6 141.0 17.1 -19.8 -26.3 20 20 A K S S+ 0 0 192 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.766 76.5 2.1 -86.9 -25.3 19.9 -21.6 -28.3 21 21 A D S > S- 0 0 75 68,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.888 82.1 -87.8-151.5-178.9 22.2 -21.9 -25.4 22 22 A W H > S+ 0 0 21 68,-0.5 4,-2.5 -2,-0.3 5,-0.1 0.822 118.8 54.5 -66.8 -33.5 22.8 -21.2 -21.7 23 23 A K H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 111.7 45.8 -71.3 -39.5 24.2 -17.7 -22.2 24 24 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 110.2 53.0 -64.0 -44.4 21.1 -16.7 -24.1 25 25 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.942 111.8 47.3 -56.8 -46.1 18.8 -18.3 -21.5 26 26 A V H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.5 0.921 109.1 53.1 -63.3 -45.9 20.6 -16.3 -18.9 27 27 A K H >X S+ 0 0 75 -4,-2.3 4,-2.0 1,-0.2 3,-0.6 0.925 107.1 53.2 -52.9 -48.2 20.3 -13.1 -20.9 28 28 A L H 3< S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 107.5 51.0 -58.3 -32.0 16.6 -13.6 -21.2 29 29 A S H << S+ 0 0 0 -4,-1.2 73,-0.3 -3,-0.5 4,-0.2 0.727 115.9 38.0 -83.3 -18.6 16.1 -14.0 -17.5 30 30 A V H XX S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.6 3,-0.8 0.720 96.7 78.1-104.6 -27.0 17.9 -10.8 -16.4 31 31 A T H >X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.3 3,-0.5 0.906 88.1 58.1 -53.8 -48.6 16.9 -8.5 -19.2 32 32 A P H 3> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.859 108.5 48.0 -52.0 -34.2 13.4 -7.8 -17.7 33 33 A L H <>>S+ 0 0 0 -3,-0.8 6,-1.9 -4,-0.2 5,-1.3 0.697 108.1 52.6 -78.8 -30.1 15.2 -6.6 -14.5 34 34 A I H X<5S+ 0 0 50 -4,-1.5 3,-1.0 -3,-0.5 -1,-0.2 0.924 109.5 51.7 -63.1 -48.9 17.6 -4.3 -16.4 35 35 A E H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.923 112.4 44.3 -58.4 -42.2 14.5 -2.8 -18.1 36 36 A S H 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.665 113.5-117.1 -73.7 -12.4 12.8 -2.1 -14.8 37 37 A G T <<5S+ 0 0 31 -3,-1.0 -3,-0.2 -4,-0.5 39,-0.1 0.543 78.7 125.9 81.8 10.3 16.0 -0.8 -13.2 38 38 A A S - 0 0 96 34,-3.6 3,-1.6 -2,-0.3 4,-0.3 -0.445 40.6-104.9 -72.2 158.4 22.4 -2.3 -13.6 41 41 A P T >> S+ 0 0 95 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.768 116.4 68.2 -51.9 -32.5 23.4 -3.7 -17.1 42 42 A E H 3> S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.619 78.8 80.2 -66.8 -19.1 26.7 -5.1 -15.7 43 43 A Y H <> S+ 0 0 1 -3,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.872 91.4 52.4 -56.5 -40.3 24.7 -7.7 -13.7 44 44 A Y H <> S+ 0 0 82 -3,-1.0 4,-1.9 -4,-0.3 3,-0.3 0.924 107.8 47.8 -56.4 -55.6 24.4 -9.7 -16.8 45 45 A N H X S+ 0 0 95 -4,-0.6 4,-3.1 1,-0.2 5,-0.2 0.888 110.7 55.7 -58.5 -39.5 28.1 -9.8 -17.6 46 46 A A H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.866 105.2 49.0 -59.7 -41.1 28.7 -10.8 -14.0 47 47 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.941 115.3 46.0 -68.1 -43.8 26.5 -13.8 -14.1 48 48 A I H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 114.1 46.0 -65.5 -51.8 28.2 -15.0 -17.3 49 49 A E H X S+ 0 0 95 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.887 114.9 48.4 -56.6 -42.3 31.7 -14.3 -16.0 50 50 A S H X S+ 0 0 37 -4,-2.7 4,-1.8 -5,-0.2 5,-0.3 0.876 112.9 48.2 -64.0 -38.9 30.9 -16.1 -12.7 51 51 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.924 112.4 47.6 -65.3 -48.4 29.4 -19.0 -14.5 52 52 A E H < S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.5 40.6 -59.9 -48.0 32.4 -19.3 -16.9 53 53 A S H < S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.716 133.1 18.2 -72.4 -25.6 34.9 -19.1 -14.1 54 54 A Y H < S- 0 0 198 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.600 101.2-115.5-121.9 -12.7 33.1 -21.2 -11.5 55 55 A G < - 0 0 20 -4,-2.8 -1,-0.2 -5,-0.3 2,-0.1 -0.155 63.2 -37.1 82.4 167.6 30.5 -23.4 -13.2 56 56 A P + 0 0 21 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.416 55.8 179.5 -59.5 127.0 26.7 -22.9 -12.6 57 57 A Y S S+ 0 0 90 11,-0.1 8,-0.0 -2,-0.1 -6,-0.0 0.044 70.6 56.1-114.5 27.0 26.3 -22.2 -8.9 58 58 A Y + 0 0 3 1,-0.1 8,-2.3 6,-0.0 2,-1.3 0.171 58.4 115.5-148.8 20.1 22.4 -21.9 -9.1 59 59 A I + 0 0 22 6,-0.2 6,-0.2 1,-0.2 -1,-0.1 -0.707 37.7 176.1 -97.9 85.9 20.9 -25.0 -10.5 60 60 A L - 0 0 95 -2,-1.3 -1,-0.2 1,-0.1 5,-0.1 0.803 65.7 -3.1 -62.8 -38.7 19.0 -26.0 -7.3 61 61 A M S > S- 0 0 67 3,-0.5 3,-1.6 -3,-0.2 -1,-0.1 -0.944 98.3 -72.8-148.5 160.3 17.2 -29.0 -8.7 62 62 A P T 3 S+ 0 0 96 0, 0.0 35,-0.1 0, 0.0 3,-0.1 -0.286 116.2 26.3 -65.2 147.4 17.1 -30.4 -12.2 63 63 A G E 3 S+b 97 0A 16 33,-1.7 35,-2.7 1,-0.1 36,-2.2 -0.014 111.2 77.7 89.2 -26.7 15.1 -28.4 -14.8 64 64 A M E < -b 99 0A 1 -3,-1.6 -3,-0.5 33,-0.2 2,-0.3 -0.874 49.5-174.0-124.0 153.6 15.5 -25.0 -13.0 65 65 A A E -b 100 0A 0 34,-1.8 36,-2.7 -2,-0.3 -6,-0.2 -0.991 14.2-159.2-132.2 142.9 18.2 -22.3 -12.5 66 66 A M - 0 0 5 -8,-2.3 36,-0.2 -2,-0.3 37,-0.1 -0.657 25.5-158.4-113.0 75.1 18.1 -19.2 -10.2 67 67 A P + 0 0 0 0, 0.0 36,-2.1 0, 0.0 2,-0.3 -0.246 29.1 139.4 -60.2 132.9 20.8 -17.1 -12.0 68 68 A H - 0 0 25 34,-0.2 2,-0.3 -21,-0.1 -11,-0.1 -0.966 32.5-155.6-160.1 170.6 22.3 -14.4 -9.8 69 69 A A - 0 0 11 34,-0.4 36,-0.3 -2,-0.3 -22,-0.1 -0.827 47.7 -62.1-140.1 178.5 25.6 -12.6 -8.8 70 70 A R > - 0 0 185 -2,-0.3 3,-1.3 1,-0.1 5,-0.2 -0.300 49.3-113.8 -59.6 150.2 26.8 -10.7 -5.7 71 71 A P G >> S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.841 115.4 64.6 -51.9 -34.3 24.8 -7.5 -4.7 72 72 A E G 34 S+ 0 0 135 1,-0.3 2,-0.1 2,-0.2 34,-0.0 0.700 82.2 77.5 -68.4 -23.6 27.9 -5.4 -5.6 73 73 A A G <4 S- 0 0 18 -3,-1.3 -1,-0.3 1,-0.1 -27,-0.2 0.038 129.4 -63.6 -75.9 28.2 27.7 -6.5 -9.2 74 74 A G T <4 S+ 0 0 6 -3,-0.7 -34,-3.6 1,-0.3 2,-0.5 0.707 77.2 153.1 105.5 23.5 24.9 -3.9 -9.8 75 75 A V B < +D 39 0B 20 -4,-2.1 -1,-0.3 -36,-0.2 -36,-0.2 -0.741 11.0 173.9 -79.4 126.4 21.8 -4.8 -7.8 76 76 A Q + 0 0 113 -38,-2.7 2,-0.3 -2,-0.5 -37,-0.2 0.695 68.4 0.2 -94.8 -41.2 19.8 -1.6 -7.1 77 77 A R S S- 0 0 91 -39,-2.2 -1,-0.4 28,-0.0 2,-0.1 -0.992 83.3 -86.4-151.9 161.4 16.9 -3.3 -5.6 78 78 A D + 0 0 35 -2,-0.3 2,-0.3 -3,-0.1 27,-0.2 -0.404 62.4 141.1 -66.1 131.0 15.5 -6.7 -4.6 79 79 A A E -E 104 0C 1 25,-2.5 25,-3.5 -2,-0.1 2,-0.3 -0.979 33.2-150.6-166.9 164.5 13.6 -8.4 -7.5 80 80 A F E -E 103 0C 6 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.952 4.7-165.5-137.0 153.8 12.9 -11.6 -9.4 81 81 A S - 0 0 0 21,-1.8 2,-0.4 -2,-0.3 21,-0.3 -0.912 7.6-152.4-130.3 167.4 12.0 -12.7 -12.9 82 82 A L E +a 13 0A 0 -70,-2.6 -68,-2.6 -2,-0.3 2,-0.4 -0.970 14.9 174.9-141.5 126.1 10.7 -15.9 -14.3 83 83 A V E -aC 14 100A 0 17,-2.8 17,-3.4 -2,-0.4 2,-0.4 -0.985 11.3-161.4-128.5 136.6 11.3 -17.1 -17.8 84 84 A T E - C 0 99A 2 -70,-1.1 -67,-2.5 -2,-0.4 2,-0.2 -0.956 12.0-145.4-118.2 139.0 10.3 -20.5 -19.3 85 85 A L E -a 17 0A 2 13,-2.6 -67,-0.2 -2,-0.4 -69,-0.1 -0.710 16.0-133.8 -97.1 158.2 11.9 -22.0 -22.4 86 86 A T E S+ 0 0 68 -69,-1.8 -68,-0.1 -2,-0.2 -1,-0.1 0.773 97.3 18.9 -82.3 -26.1 10.2 -24.1 -25.2 87 87 A E E S- 0 0 126 -70,-0.3 -68,-0.3 -68,-0.1 -1,-0.2 -0.977 93.8-102.0-135.2 146.8 13.1 -26.6 -25.1 88 88 A P E - 0 0 55 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.190 28.7-146.7 -56.6 154.3 15.7 -27.2 -22.4 89 89 A V E - C 0 97A 7 8,-2.1 8,-2.5 6,-0.1 2,-0.5 -0.915 17.1-122.0-118.5 154.2 19.3 -25.7 -22.8 90 90 A T E - C 0 96A 77 -2,-0.3 -68,-0.5 6,-0.2 6,-0.2 -0.855 20.7-147.6-101.0 122.9 22.3 -27.5 -21.4 91 91 A F > - 0 0 5 4,-3.5 3,-1.8 -2,-0.5 4,-0.1 -0.359 36.4 -93.0 -79.8 172.1 24.6 -25.7 -18.9 92 92 A T T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.744 122.6 57.8 -64.6 -22.8 28.4 -26.3 -18.7 93 93 A D T 3 S- 0 0 81 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.198 124.0 -98.4 -88.3 12.4 28.1 -29.0 -16.0 94 94 A G S < S+ 0 0 56 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.438 79.3 141.9 83.3 4.0 25.8 -31.2 -18.2 95 95 A K - 0 0 72 -4,-0.1 -4,-3.5 -5,-0.1 2,-0.3 -0.610 44.5-138.8 -86.8 132.2 22.7 -29.9 -16.4 96 96 A E E - C 0 90A 116 -2,-0.3 -33,-1.7 -6,-0.2 2,-0.4 -0.705 19.7-169.4 -88.4 140.3 19.5 -29.3 -18.4 97 97 A V E +bC 63 89A 0 -8,-2.5 -8,-2.1 -2,-0.3 -33,-0.2 -0.998 26.2 158.6-134.3 134.5 17.3 -26.2 -17.7 98 98 A Q E S+ 0 0 39 -35,-2.7 -13,-2.6 -2,-0.4 2,-0.4 0.499 70.0 52.0-123.0 -18.4 13.9 -25.2 -18.8 99 99 A V E -bC 64 84A 0 -36,-2.2 -34,-1.8 -15,-0.2 2,-0.5 -0.987 62.3-166.8-124.7 130.0 12.8 -22.7 -16.2 100 100 A L E -bC 65 83A 0 -17,-3.4 -17,-2.8 -2,-0.4 2,-0.6 -0.965 9.5-178.8-121.9 122.6 14.8 -19.6 -15.1 101 101 A L - 0 0 0 -36,-2.7 -19,-0.2 -2,-0.5 2,-0.2 -0.901 18.1-157.1-117.2 95.7 14.1 -17.6 -12.0 102 102 A A - 0 0 0 -2,-0.6 -21,-1.8 -21,-0.3 2,-0.4 -0.503 8.5-153.0 -75.2 147.1 16.6 -14.7 -11.8 103 103 A L E -E 80 0C 2 -36,-2.1 2,-0.5 -23,-0.2 -34,-0.4 -0.972 16.4-170.9-129.6 127.7 17.2 -13.3 -8.5 104 104 A A E +E 79 0C 1 -25,-3.5 -25,-2.5 -2,-0.4 2,-0.4 -0.943 16.5 175.2-118.1 112.9 18.3 -9.8 -7.4 105 105 A A - 0 0 7 -2,-0.5 -30,-0.1 -36,-0.3 -36,-0.1 -0.917 29.9-148.1-115.6 136.6 19.1 -9.5 -3.7 106 106 A T S S+ 0 0 66 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.597 84.7 9.9 -80.4 -7.0 20.6 -6.4 -1.9 107 107 A S S > S- 0 0 33 1,-0.1 4,-1.8 -36,-0.1 3,-0.4 -0.969 74.0-112.6-162.4 154.7 22.4 -8.5 0.6 108 108 A S H > S+ 0 0 83 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.784 114.4 64.4 -59.2 -28.2 23.3 -12.2 1.3 109 109 A K H > S+ 0 0 157 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.927 106.3 39.4 -64.8 -44.4 21.0 -12.0 4.3 110 110 A I H >>S+ 0 0 38 -3,-0.4 5,-2.7 2,-0.2 4,-1.9 0.843 111.3 59.3 -76.6 -31.2 17.9 -11.4 2.2 111 111 A H H <>S+ 0 0 41 -4,-1.8 5,-2.1 3,-0.2 -2,-0.2 0.938 117.1 33.6 -50.2 -49.5 19.1 -14.0 -0.4 112 112 A T H <5S+ 0 0 92 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.2 0.918 128.6 31.6 -82.3 -48.5 19.2 -16.7 2.3 113 113 A S H <5S+ 0 0 85 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.678 133.0 19.4 -92.6 -14.2 16.4 -15.8 4.5 114 114 A V T X5S+ 0 0 53 -4,-1.9 4,-0.7 -5,-0.3 -3,-0.2 0.763 123.8 40.2-118.1 -47.8 13.8 -14.2 2.2 115 115 A A H > S+ 0 0 21 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.862 111.6 46.9 -52.5 -36.2 12.6 -20.0 0.9 118 118 A Q H X S+ 0 0 24 -4,-0.7 4,-1.6 -3,-0.2 -2,-0.2 0.864 112.3 49.5 -76.2 -34.9 10.1 -18.5 -1.6 119 119 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.920 111.7 47.8 -67.7 -44.0 11.8 -20.0 -4.6 120 120 A I H X S+ 0 0 36 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 107.1 56.7 -69.5 -36.9 11.8 -23.4 -3.0 121 121 A A H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.907 108.8 47.9 -51.1 -49.8 8.1 -23.2 -2.1 122 122 A L H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.958 113.8 45.6 -56.9 -52.2 7.2 -22.6 -5.8 123 123 A F H 3< S+ 0 0 6 -4,-2.0 5,-0.4 1,-0.3 6,-0.2 0.631 103.2 64.1 -75.6 -15.1 9.3 -25.5 -7.1 124 124 A E T 3< S+ 0 0 116 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.386 75.7 108.0 -87.7 3.2 8.1 -28.0 -4.5 125 125 A L S X S- 0 0 27 -3,-1.4 3,-1.3 -4,-0.2 4,-0.2 -0.405 91.4 -79.1 -63.6 159.8 4.5 -27.8 -5.7 126 126 A D T 3 S- 0 0 121 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.420 112.4 -5.5 -67.3 136.0 3.6 -31.1 -7.5 127 127 A H T 3> S+ 0 0 117 -2,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.875 85.4 164.0 50.4 44.0 4.9 -31.2 -11.1 128 128 A S H <> + 0 0 5 -3,-1.3 4,-2.7 -5,-0.4 5,-0.2 0.899 70.0 46.7 -63.2 -41.6 6.1 -27.6 -10.6 129 129 A I H > S+ 0 0 32 -6,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 115.5 45.3 -64.2 -46.1 8.5 -27.7 -13.6 130 130 A E H > S+ 0 0 118 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.819 115.6 46.4 -68.6 -33.0 5.9 -29.2 -15.9 131 131 A R H >< S+ 0 0 76 -4,-2.3 3,-0.5 2,-0.2 4,-0.3 0.943 111.2 51.3 -76.7 -44.0 3.1 -26.9 -14.8 132 132 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.902 109.3 52.1 -54.2 -43.9 5.4 -23.8 -15.1 133 133 A V H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.8 52.8 -64.0 -33.2 6.3 -24.8 -18.6 134 134 A N T << S+ 0 0 100 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.343 84.1 115.3 -86.4 5.9 2.5 -25.1 -19.6 135 135 A C < + 0 0 13 -3,-1.3 -119,-0.1 -4,-0.3 -51,-0.1 -0.667 38.7 178.8 -77.9 130.3 1.8 -21.6 -18.3 136 136 A K + 0 0 163 -2,-0.3 -121,-0.2 1,-0.2 -1,-0.1 0.681 63.4 35.1 -99.8 -31.4 0.6 -19.2 -21.0 137 137 A T S >> S- 0 0 55 1,-0.1 4,-1.1 -123,-0.1 3,-1.0 -0.915 78.6-116.7-130.8 150.8 -0.0 -16.0 -19.0 138 138 A P H 3> S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.842 113.4 64.1 -51.4 -39.6 1.6 -14.3 -16.0 139 139 A E H 3> S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.848 99.3 53.6 -54.1 -36.6 -1.7 -14.7 -14.1 140 140 A E H <> S+ 0 0 79 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.887 108.7 47.6 -63.7 -43.5 -1.3 -18.5 -14.3 141 141 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.2 -2,-0.2 0.883 110.9 51.8 -63.6 -46.0 2.2 -18.4 -12.8 142 142 A L H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.865 102.7 58.5 -62.2 -36.5 0.9 -16.1 -10.0 143 143 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.967 108.0 48.1 -57.6 -44.8 -1.9 -18.6 -9.3 144 144 A M H X S+ 0 0 8 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.879 107.5 54.7 -55.1 -41.0 0.9 -21.1 -8.7 145 145 A V H >< S+ 0 0 3 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.930 106.8 51.7 -61.7 -43.2 2.7 -18.6 -6.5 146 146 A E H >< S+ 0 0 104 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.924 106.9 52.7 -53.8 -49.2 -0.4 -18.3 -4.4 147 147 A E H >< S+ 0 0 92 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.701 101.2 61.7 -62.9 -21.5 -0.6 -22.0 -3.9 148 148 A S G X< S+ 0 0 5 -4,-1.0 3,-2.0 -3,-0.8 -1,-0.3 0.649 80.2 88.4 -77.2 -14.4 3.0 -22.1 -2.7 149 149 A K G < S+ 0 0 94 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.1 0.626 75.6 63.2 -70.6 -11.6 2.1 -19.9 0.3 150 150 A S G < S+ 0 0 110 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.344 76.3 121.3 -93.1 6.1 1.1 -22.8 2.6 151 151 A S S X S- 0 0 16 -3,-2.0 3,-1.1 1,-0.1 4,-0.4 -0.397 72.5-127.2 -58.2 143.6 4.8 -24.1 2.4 152 152 A P G > S+ 0 0 95 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.804 109.6 67.5 -64.1 -29.5 6.5 -24.4 5.9 153 153 A Y G 3 S+ 0 0 123 1,-0.2 3,-0.3 -36,-0.1 -35,-0.1 0.768 99.9 50.6 -56.1 -26.0 9.3 -22.4 4.4 154 154 A L G < S+ 0 0 47 -3,-1.1 -1,-0.2 -6,-0.2 -5,-0.0 0.599 81.1 93.2 -94.8 -8.4 6.8 -19.5 4.2 155 155 A E < 0 0 164 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.785 360.0 360.0 -59.6 -33.8 5.5 -19.5 7.8 156 156 A G 0 0 119 -4,-0.4 -3,-0.0 -3,-0.3 0, 0.0 0.069 360.0 360.0-106.4 360.0 8.0 -17.0 9.2