==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-SEP-02 1MNA . COMPND 2 MOLECULE: POLYKETIDE SYNTHASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR S.-C.TSAI,H.LU,D.E.CANE,C.KHOSLA,R.M.STROUD . 554 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 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 . 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 . 27 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 4 0 0 0 2 0 2 2 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 9 A A 0 0 121 0, 0.0 279,-0.1 0, 0.0 471,-0.0 0.000 360.0 360.0 360.0 168.6 31.3 34.9 27.9 2 10 A G > + 0 0 30 3,-0.0 4,-1.9 4,-0.0 3,-0.2 0.589 360.0 136.3 90.9 12.1 32.2 36.5 24.5 3 11 A M H > + 0 0 18 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.863 68.7 57.4 -60.3 -38.4 29.7 39.4 24.9 4 12 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 107.3 48.0 -60.0 -41.7 32.3 41.9 23.6 5 13 A R H > S+ 0 0 45 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 112.2 50.2 -64.3 -39.6 32.7 39.9 20.4 6 14 A A H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 112.5 45.2 -63.2 -49.5 28.9 39.8 20.1 7 15 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.906 111.9 54.8 -59.5 -41.9 28.5 43.6 20.6 8 16 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.916 106.1 49.9 -58.1 -48.0 31.4 44.1 18.2 9 17 A R H X S+ 0 0 105 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.920 112.6 47.8 -58.1 -45.4 29.7 42.0 15.5 10 18 A Q H X S+ 0 0 46 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.906 107.8 55.0 -63.3 -43.2 26.5 44.1 15.9 11 19 A A H <>S+ 0 0 0 -4,-2.8 5,-3.4 1,-0.2 6,-0.3 0.904 109.4 47.9 -57.2 -42.4 28.4 47.4 15.9 12 20 A V H ><5S+ 0 0 7 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.928 110.5 50.6 -65.5 -44.5 29.9 46.4 12.5 13 21 A E H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.873 113.9 46.1 -59.9 -37.0 26.5 45.4 11.1 14 22 A D T 3<5S- 0 0 79 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.393 115.1-116.7 -87.2 2.6 25.2 48.8 12.3 15 23 A D T < 5S+ 0 0 86 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.914 82.3 119.1 62.7 44.3 28.1 50.7 10.9 16 24 A R >< + 0 0 78 -5,-3.4 4,-2.1 -8,-0.1 -4,-0.2 -0.181 22.0 130.4-130.0 37.7 29.3 51.9 14.3 17 25 A Y H > S+ 0 0 32 -6,-0.3 4,-1.9 1,-0.2 5,-0.2 0.927 72.4 51.6 -57.9 -49.2 32.7 50.3 14.4 18 26 A G H > S+ 0 0 40 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 109.6 49.6 -56.4 -46.2 34.5 53.5 15.4 19 27 A E H > S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.894 108.9 52.5 -61.5 -41.0 32.1 54.0 18.3 20 28 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.851 102.8 57.6 -65.7 -34.4 32.5 50.4 19.6 21 29 A L H X S+ 0 0 23 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.869 103.3 54.6 -63.1 -34.9 36.3 50.8 19.6 22 30 A D H X S+ 0 0 97 -4,-1.3 4,-2.3 -3,-0.2 -1,-0.2 0.900 107.5 50.3 -63.3 -41.2 35.9 53.7 22.0 23 31 A V H X S+ 0 0 10 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.909 108.8 51.2 -63.3 -43.3 33.9 51.5 24.3 24 32 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 110.1 50.0 -59.6 -44.1 36.6 48.8 24.2 25 33 A A H X S+ 0 0 5 -4,-2.3 4,-0.7 177,-0.2 -2,-0.2 0.925 113.0 45.7 -61.6 -45.3 39.2 51.3 25.1 26 34 A E H >< S+ 0 0 88 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.932 114.8 47.4 -63.5 -46.8 37.2 52.6 28.0 27 35 A A H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.864 101.6 65.5 -62.9 -36.6 36.4 49.1 29.2 28 36 A S H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.750 82.6 76.4 -59.4 -25.8 40.0 48.0 29.0 29 37 A A T << S+ 0 0 26 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.674 90.6 58.5 -60.2 -15.1 41.0 50.4 31.7 30 38 A F T < S+ 0 0 7 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.240 82.6 102.1-100.3 11.6 39.5 47.9 34.2 31 39 A R S < S- 0 0 35 -3,-2.2 74,-0.0 1,-0.1 254,-0.0 -0.697 87.8 -94.3 -93.0 147.8 41.7 45.0 33.2 32 40 A P - 0 0 56 0, 0.0 74,-2.4 0, 0.0 2,-0.3 -0.349 54.6-166.8 -58.9 141.8 44.6 44.1 35.4 33 41 A Q E -a 106 0A 83 72,-0.3 2,-0.5 -4,-0.1 72,-0.1 -0.905 25.1-124.7-136.1 162.6 47.8 45.8 34.2 34 42 A F E -a 107 0A 3 72,-2.0 74,-2.1 -2,-0.3 75,-0.3 -0.911 14.6-172.2-105.9 128.1 51.6 45.9 34.5 35 43 A A S S+ 0 0 72 -2,-0.5 -1,-0.1 72,-0.2 3,-0.1 0.512 72.2 53.6 -95.5 -7.8 53.1 49.3 35.3 36 44 A S S > S- 0 0 61 1,-0.1 3,-1.0 77,-0.0 4,-0.1 -0.987 79.2-130.9-128.8 138.3 56.7 48.2 34.8 37 45 A P G > S+ 0 0 25 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.853 113.8 54.4 -54.4 -32.0 58.2 46.5 31.7 38 46 A E G 3 S+ 0 0 135 1,-0.3 74,-0.0 3,-0.1 -4,-0.0 0.808 98.9 61.2 -71.0 -30.8 59.7 44.0 34.1 39 47 A A G < S+ 0 0 53 -3,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.267 74.8 134.7 -80.8 13.1 56.3 43.3 35.6 40 48 A C < - 0 0 25 -3,-1.1 2,-0.6 1,-0.1 4,-0.1 -0.468 53.9-142.4 -65.9 129.2 55.1 42.1 32.1 41 49 A S S S+ 0 0 56 -2,-0.2 2,-0.3 64,-0.1 -1,-0.1 -0.191 70.2 55.9 -89.1 43.9 53.1 38.8 32.5 42 50 A E S S- 0 0 49 -2,-0.6 2,-0.6 62,-0.1 -2,-0.1 -0.958 85.0 -97.7-171.1 151.4 54.4 37.1 29.3 43 51 A R - 0 0 206 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.619 31.4-179.6 -75.6 113.8 57.4 35.9 27.3 44 52 A L + 0 0 12 -2,-0.6 -1,-0.1 72,-0.1 3,-0.1 0.305 28.1 141.7 -98.0 8.7 58.2 38.6 24.7 45 53 A D - 0 0 76 49,-0.1 76,-0.1 1,-0.1 48,-0.1 -0.283 56.2-117.5 -52.4 123.6 61.1 36.7 23.2 46 54 A P - 0 0 19 0, 0.0 2,-0.5 0, 0.0 48,-0.2 -0.230 21.2-128.2 -62.4 154.0 60.9 37.3 19.4 47 55 A V E -B 93 0B 66 46,-2.3 46,-2.7 -3,-0.1 2,-0.8 -0.910 16.0-127.6-106.2 131.9 60.4 34.2 17.2 48 56 A L E +B 92 0B 107 -2,-0.5 44,-0.2 44,-0.2 3,-0.1 -0.704 34.5 168.9 -80.4 112.1 62.9 33.8 14.3 49 57 A L E + 0 0 49 42,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.569 64.4 20.3-100.0 -13.8 60.7 33.3 11.2 50 58 A A E -B 91 0B 3 41,-1.0 41,-2.2 35,-0.1 2,-0.4 -0.985 66.6-143.3-154.1 148.3 63.4 33.6 8.5 51 59 A G - 0 0 17 -2,-0.3 36,-3.6 39,-0.3 37,-0.4 -0.949 14.3-140.9-119.3 136.2 67.1 33.3 8.4 52 60 A G - 0 0 16 -2,-0.4 37,-0.2 35,-0.2 36,-0.1 -0.228 52.1 -52.7 -83.2 178.6 69.5 35.4 6.3 53 61 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.313 40.4-151.6 -55.0 120.3 72.6 34.2 4.4 54 62 A T S > S+ 0 0 127 1,-0.2 3,-0.7 -3,-0.1 -2,-0.1 0.746 90.0 73.5 -63.9 -20.5 74.7 32.3 6.9 55 63 A D T 3 S+ 0 0 122 1,-0.3 2,-2.0 2,-0.1 -1,-0.2 0.985 96.3 37.1 -56.3 -75.6 77.5 33.5 4.6 56 64 A R T 3 + 0 0 108 1,-0.2 2,-0.9 2,-0.0 -1,-0.3 -0.351 68.2 161.8 -81.4 59.7 77.8 37.2 5.3 57 65 A A < + 0 0 88 -2,-2.0 -1,-0.2 -3,-0.7 -3,-0.1 0.113 41.2 114.7 -67.9 27.4 77.2 36.8 9.1 58 66 A E S S- 0 0 134 -2,-0.9 -2,-0.0 70,-0.0 70,-0.0 0.346 89.8 -50.1 -75.4-149.2 78.8 40.2 9.3 59 67 A G S S+ 0 0 45 69,-0.1 68,-0.0 2,-0.0 -3,-0.0 0.953 78.2 149.3 -51.3 -87.9 76.9 43.3 10.5 60 68 A R - 0 0 65 68,-0.1 2,-0.1 1,-0.0 29,-0.0 0.838 52.3-103.9 54.5 117.7 73.8 43.2 8.3 61 69 A A - 0 0 17 67,-0.2 2,-0.3 214,-0.1 29,-0.3 -0.392 30.4-140.2 -70.4 145.3 70.6 44.6 9.7 62 70 A V E -c 130 0B 9 67,-3.0 69,-2.5 27,-0.1 2,-0.4 -0.791 15.5-122.2-103.6 148.1 68.0 42.2 11.0 63 71 A L E -cd 131 91B 0 27,-2.5 29,-3.4 -2,-0.3 2,-0.5 -0.768 21.3-163.8 -93.2 136.2 64.2 42.7 10.4 64 72 A V E -cd 132 92B 0 67,-2.5 69,-2.6 -2,-0.4 2,-0.6 -0.964 10.3-146.8-122.8 113.0 61.9 42.9 13.4 65 73 A G E -cd 133 93B 0 27,-2.6 29,-2.7 -2,-0.5 2,-0.9 -0.704 8.2-149.6 -82.5 119.9 58.2 42.5 12.8 66 74 A C E - d 0 94B 1 67,-3.6 69,-0.5 -2,-0.6 76,-0.2 -0.806 21.6-127.7 -93.4 105.3 56.2 44.5 15.2 67 75 A T - 0 0 11 27,-1.6 74,-0.0 -2,-0.9 67,-0.0 -0.213 25.2-125.9 -54.0 136.7 52.9 42.7 15.7 68 76 A G - 0 0 14 6,-0.1 28,-0.2 1,-0.1 -1,-0.1 -0.083 19.0-105.3 -77.3-177.4 49.8 44.8 15.1 69 77 A T + 0 0 25 132,-0.1 135,-0.1 3,-0.0 136,-0.1 0.579 69.1 132.0 -86.9 -13.2 46.8 45.5 17.4 70 78 A A > - 0 0 34 1,-0.2 3,-2.0 2,-0.1 128,-0.1 -0.141 54.3-143.8 -46.3 124.5 44.3 43.3 15.6 71 79 A A T 3 S+ 0 0 2 1,-0.3 123,-0.3 127,-0.1 -1,-0.2 0.686 102.3 54.5 -65.1 -17.1 42.5 41.0 18.1 72 80 A N T 3 S+ 0 0 33 121,-0.1 118,-0.5 125,-0.1 -1,-0.3 0.374 99.4 85.9 -96.1 3.4 42.5 38.3 15.5 73 81 A G < + 0 0 17 -3,-2.0 -4,-0.0 116,-0.1 117,-0.0 0.034 40.2 119.7 -89.6-161.9 46.2 38.5 15.1 74 82 A G S > S- 0 0 25 1,-0.1 3,-1.7 25,-0.1 4,-0.2 -0.994 78.2 -8.1 143.7-148.6 49.2 37.0 16.8 75 83 A P T 3 S+ 0 0 110 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.638 125.0 62.6 -58.4 -18.7 52.2 34.7 15.8 76 84 A H T > S+ 0 0 61 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.650 75.5 93.7 -85.0 -13.6 50.7 34.1 12.4 77 85 A E T < S+ 0 0 53 -3,-1.7 4,-0.3 1,-0.3 3,-0.3 0.839 94.1 30.4 -46.8 -49.3 50.8 37.7 11.2 78 86 A F T 3> S+ 0 0 2 -3,-0.3 4,-2.9 -4,-0.2 -1,-0.3 0.262 86.6 106.4-100.0 13.4 54.2 37.6 9.5 79 87 A L H <> S+ 0 0 91 -3,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.941 86.4 38.6 -58.2 -50.1 54.2 34.0 8.3 80 88 A R H >> S+ 0 0 150 -4,-0.4 4,-0.6 -3,-0.3 3,-0.5 0.956 119.4 46.0 -67.0 -49.8 53.5 34.8 4.6 81 89 A L H >4 S+ 0 0 2 -4,-0.3 3,-1.5 1,-0.2 4,-0.3 0.925 107.4 58.3 -57.5 -47.1 55.7 37.9 4.4 82 90 A S H >X S+ 0 0 6 -4,-2.9 3,-1.9 1,-0.3 4,-0.6 0.784 90.6 69.3 -57.5 -30.8 58.7 36.3 6.3 83 91 A T H X< S+ 0 0 100 -4,-1.0 3,-1.0 -3,-0.5 -1,-0.3 0.852 93.6 59.6 -58.3 -31.5 59.0 33.5 3.8 84 92 A S T << S+ 0 0 37 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.625 101.0 54.4 -72.0 -13.4 60.3 36.1 1.3 85 93 A F T X> S+ 0 0 0 -3,-1.9 3,-2.7 -4,-0.3 4,-2.6 0.518 76.5 123.0 -96.6 -6.3 63.2 37.0 3.5 86 94 A Q T << S+ 0 0 83 -3,-1.0 -34,-0.2 -4,-0.6 4,-0.1 -0.372 87.3 8.2 -59.6 127.8 64.5 33.4 3.8 87 95 A E T 34 S+ 0 0 110 -36,-3.6 -1,-0.3 2,-0.1 -35,-0.2 0.582 129.0 66.4 73.8 13.3 68.1 33.4 2.7 88 96 A E T <4 S- 0 0 85 -3,-2.7 2,-0.3 1,-0.4 -36,-0.2 0.646 110.0 -8.9-124.2 -51.2 68.0 37.3 2.5 89 97 A R < - 0 0 16 -4,-2.6 -1,-0.4 -38,-0.2 2,-0.1 -0.993 67.5-105.4-152.6 148.3 67.6 38.6 6.1 90 98 A D - 0 0 64 -2,-0.3 -27,-2.5 -29,-0.3 2,-0.4 -0.497 37.3-157.8 -69.9 146.5 66.9 37.3 9.5 91 99 A F E -Bd 50 63B 0 -41,-2.2 -42,-2.9 -29,-0.2 -41,-1.0 -0.960 8.6-170.5-133.8 115.9 63.3 38.1 10.5 92 100 A L E -Bd 48 64B 16 -29,-3.4 -27,-2.6 -2,-0.4 2,-0.6 -0.923 9.8-153.2-109.4 122.0 62.2 38.3 14.1 93 101 A A E -Bd 47 65B 6 -46,-2.7 -46,-2.3 -2,-0.5 -27,-0.2 -0.833 12.1-159.3 -95.9 121.0 58.5 38.6 15.0 94 102 A V E - d 0 66B 0 -29,-2.7 -27,-1.6 -2,-0.6 -49,-0.1 -0.858 15.4-124.9-102.9 130.4 58.0 40.3 18.4 95 103 A P - 0 0 43 0, 0.0 -1,-0.0 0, 0.0 -51,-0.0 -0.309 19.3-121.0 -69.6 154.0 54.7 39.8 20.3 96 104 A L > - 0 0 9 -28,-0.2 3,-1.2 -30,-0.1 18,-0.1 -0.864 36.1-111.3 -96.6 122.6 52.6 42.8 21.4 97 105 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 16,-0.1 -0.219 96.4 38.5 -54.9 134.8 52.2 42.8 25.3 98 106 A G T 3 S+ 0 0 5 1,-0.4 102,-0.2 8,-0.1 6,-0.1 0.268 96.3 86.0 110.8 -13.2 48.7 42.1 26.5 99 107 A Y < 0 0 24 -3,-1.2 -1,-0.4 101,-0.1 4,-0.1 -0.282 360.0 360.0-104.5-166.3 47.5 39.4 24.0 100 108 A G 0 0 61 -2,-0.1 4,-0.6 -3,-0.1 3,-0.1 0.160 360.0 360.0 64.3 360.0 47.9 35.6 24.0 101 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 102 114 A G 0 0 79 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 56.5 43.0 35.3 28.6 103 115 A T + 0 0 123 -3,-0.1 2,-0.1 -62,-0.1 -4,-0.1 0.252 360.0 134.7-115.8 10.2 44.9 36.4 31.7 104 116 A A - 0 0 14 -4,-0.6 -62,-0.1 -6,-0.1 2,-0.1 -0.411 58.2-119.1 -64.1 131.2 47.7 38.5 30.1 105 117 A L - 0 0 46 -2,-0.1 -72,-0.3 -64,-0.1 -64,-0.1 -0.402 23.9-128.1 -70.0 146.5 48.2 41.8 31.9 106 118 A L E -a 33 0A 2 -74,-2.4 -72,-2.0 -78,-0.1 -8,-0.1 -0.705 29.0 -99.7 -95.8 149.0 47.6 45.0 29.8 107 119 A P E -a 34 0A 0 0, 0.0 -72,-0.2 0, 0.0 3,-0.1 -0.429 18.8-139.4 -68.0 139.9 50.2 47.7 29.7 108 120 A A S S- 0 0 21 -74,-2.1 2,-0.3 1,-0.2 -73,-0.1 0.865 86.7 -5.5 -64.5 -36.3 49.5 50.7 32.0 109 121 A D S > S- 0 0 72 -75,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.953 78.7-100.9-151.1 165.5 50.7 53.0 29.2 110 122 A L H > S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.917 116.5 56.8 -58.8 -46.5 52.3 52.6 25.7 111 123 A D H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 103.2 54.9 -55.3 -35.2 55.8 53.4 26.9 112 124 A T H > S+ 0 0 10 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.901 110.9 44.5 -66.8 -39.7 55.7 50.5 29.4 113 125 A A H X S+ 0 0 1 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.898 111.9 53.6 -69.7 -40.3 54.8 48.1 26.7 114 126 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.857 107.4 50.6 -63.5 -36.4 57.4 49.5 24.3 115 127 A D H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.914 107.7 53.0 -68.6 -41.1 60.2 49.1 26.9 116 128 A A H X S+ 0 0 8 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.922 113.9 43.5 -58.5 -43.8 59.2 45.4 27.4 117 129 A Q H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.911 109.6 57.2 -67.1 -43.3 59.4 44.9 23.7 118 130 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.926 106.9 47.9 -53.0 -50.7 62.7 46.8 23.4 119 131 A R H X S+ 0 0 84 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.901 112.3 48.2 -59.8 -44.1 64.4 44.6 25.9 120 132 A A H X S+ 0 0 5 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.884 114.9 47.2 -64.9 -38.1 63.3 41.4 24.3 121 133 A I H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.962 110.2 49.4 -68.4 -53.2 64.4 42.7 20.9 122 134 A L H X S+ 0 0 65 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.902 111.5 50.8 -54.6 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1,-0.2 -1,-0.2 0.917 108.3 45.7 -59.2 -43.0 56.9 50.3 14.9 143 155 A H H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.928 112.2 48.9 -67.8 -44.0 57.6 54.1 14.8 144 156 A E H X S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.890 113.0 49.3 -61.4 -37.5 56.7 54.6 18.5 145 157 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.912 108.0 54.5 -66.2 -42.1 59.0 51.7 19.4 146 158 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 109.7 46.2 -58.1 -46.5 61.7 53.2 17.2 147 159 A F H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.905 112.1 51.3 -64.6 -40.0 61.6 56.5 19.1 148 160 A R H X>S+ 0 0 64 -4,-2.1 4,-3.4 2,-0.2 5,-0.6 0.915 108.3 51.1 -62.7 -44.1 61.5 54.7 22.5 149 161 A L H X5S+ 0 0 4 -4,-2.8 6,-2.9 1,-0.2 4,-1.0 0.900 112.7 48.3 -58.7 -41.7 64.6 52.6 21.6 150 162 A E H <5S+ 0 0 32 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.951 122.8 30.0 -64.2 -51.9 66.3 55.8 20.6 151 163 A R H <5S+ 0 0 161 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.804 131.5 28.7 -83.9 -32.1 65.5 57.8 23.7 152 164 A A H <5S+ 0 0 47 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.526 132.5 30.6-108.0 -6.7 65.2 55.2 26.5 153 165 A H S < - 0 0 14 0, 0.0 3,-2.2 0, 0.0 42,-0.1 -0.294 40.1 -75.8 -78.4 166.0 48.6 58.3 11.4 168 180 A P T 3 S+ 0 0 93 0, 0.0 41,-0.0 0, 0.0 0, 0.0 -0.360 123.1 45.8 -60.2 145.0 46.5 61.0 13.2 169 181 A G T 3 S+ 0 0 87 -3,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.110 113.1 54.6 106.2 -23.0 45.9 63.8 10.7 170 182 A H < + 0 0 37 -3,-2.2 4,-0.2 72,-0.1 72,-0.1 -0.430 64.9 119.7-140.2 62.3 45.0 61.3 8.0 171 183 A Q > + 0 0 51 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.336 40.8 101.4-106.7 3.2 42.2 59.2 9.5 172 184 A E H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.912 82.3 50.7 -58.1 -42.7 39.5 60.0 7.0 173 185 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.902 109.2 50.9 -62.8 -37.4 40.0 56.7 5.2 174 186 A I H 4 S+ 0 0 55 2,-0.2 -2,-0.2 1,-0.2 7,-0.2 0.839 114.0 45.7 -67.5 -31.4 39.7 54.7 8.4 175 187 A E H >< S+ 0 0 122 -4,-1.9 3,-1.2 2,-0.2 4,-0.3 0.937 114.7 45.9 -75.4 -47.7 36.5 56.5 9.2 176 188 A V H 3< S+ 0 0 46 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.844 122.1 36.6 -65.7 -33.9 35.0 56.1 5.8 177 189 A W T 3X S+ 0 0 6 -4,-2.5 4,-2.6 -5,-0.2 3,-0.3 0.093 78.7 121.3-105.3 23.4 35.9 52.4 5.5 178 190 A S H <> S+ 0 0 16 -3,-1.2 4,-2.4 1,-0.2 5,-0.2 0.890 73.9 53.8 -54.3 -40.6 35.3 51.6 9.2 179 191 A R H > S+ 0 0 98 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.919 111.3 44.4 -62.0 -42.1 32.7 49.0 8.3 180 192 A Q H > S+ 0 0 57 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.866 111.2 54.1 -69.7 -34.9 35.2 47.2 5.9 181 193 A L H X S+ 0 0 29 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.897 112.6 44.7 -64.7 -37.5 37.9 47.5 8.5 182 194 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.920 113.7 47.5 -71.9 -44.8 35.6 45.8 11.0 183 195 A E H X S+ 0 0 95 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.885 108.1 57.5 -63.6 -36.8 34.4 43.1 8.6 184 196 A G H < S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 103.6 54.0 -61.5 -33.7 38.0 42.5 7.7 185 197 A L H < S+ 0 0 14 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.917 111.9 42.4 -67.4 -43.5 38.7 41.8 11.4 186 198 A F H >< S+ 0 0 17 -4,-1.7 3,-1.2 2,-0.1 -2,-0.2 0.918 108.2 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31.8 378 108 B G 0 0 54 -2,-0.5 -1,-0.2 4,-0.1 -2,-0.2 0.735 360.0 360.0 31.6 360.0 16.9 37.3 30.9 379 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 380 114 B G 0 0 52 0, 0.0 2,-1.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -73.7 21.6 37.7 26.3 381 115 B T + 0 0 128 -3,-0.1 -4,-0.0 1,-0.1 2,-0.0 -0.503 360.0 100.1 78.8 -72.7 18.5 37.1 24.2 382 116 B A S S- 0 0 8 -2,-1.9 -4,-0.1 1,-0.1 2,-0.1 -0.236 77.3-124.3 -50.5 120.2 16.1 39.5 25.9 383 117 B L - 0 0 50 -6,-0.1 -64,-0.3 -72,-0.1 -72,-0.3 -0.399 21.3-127.9 -67.3 142.7 15.9 42.6 23.8 384 118 B L E -h 311 0C 2 -74,-2.1 -72,-1.9 -78,-0.1 -8,-0.2 -0.697 29.1-101.2 -91.9 144.6 16.7 45.9 25.6 385 119 B P E -h 312 0C 0 0, 0.0 -72,-0.2 0, 0.0 3,-0.1 -0.367 18.9-137.1 -65.2 143.7 14.2 48.8 25.4 386 120 B A S S- 0 0 22 -74,-2.4 2,-0.3 1,-0.2 -73,-0.1 0.899 86.4 -7.2 -64.3 -41.1 15.1 51.5 23.0 387 121 B D S > S- 0 0 73 -75,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.931 78.2 -99.1-147.7 169.0 14.1 54.1 25.6 388 122 B L H > S+ 0 0 3 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152 B L H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.942 113.6 49.1 -61.6 -44.6 12.4 55.9 40.6 419 153 B L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.867 105.8 57.3 -62.0 -37.6 11.0 53.5 38.0 420 154 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 109.8 44.4 -61.5 -42.8 7.8 53.2 39.9 421 155 B H H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 112.3 50.7 -69.0 -40.8 7.2 56.9 39.7 422 156 B E H X S+ 0 0 19 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 111.8 49.3 -62.0 -38.5 8.2 57.1 36.1 423 157 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.915 108.2 53.6 -63.9 -43.9 5.7 54.3 35.4 424 158 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 109.4 48.1 -57.8 -45.4 3.0 56.1 37.3 425 159 B F H X S+ 0 0 31 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.924 112.6 48.2 -62.5 -44.4 3.5 59.2 35.2 426 160 B R H X>S+ 0 0 59 -4,-2.1 4,-3.0 2,-0.2 5,-0.6 0.894 108.8 54.0 -63.2 -40.6 3.4 57.2 32.0 427 161 B L H X5S+ 0 0 4 -4,-2.8 6,-2.3 3,-0.2 4,-1.1 0.919 115.5 40.7 -57.9 -44.2 0.3 55.4 33.2 428 162 B E H <5S+ 0 0 57 -4,-2.1 4,-0.4 4,-0.2 -2,-0.2 0.919 122.2 38.5 -71.8 -46.8 -1.4 58.8 33.7 429 163 B R H <5S+ 0 0 174 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.827 132.8 19.6 -77.8 -34.0 -0.1 60.6 30.6 430 164 B A H <5S+ 0 0 46 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.457 129.8 39.9-118.5 -1.9 -0.3 57.8 28.0 431 165 B H S < - 0 0 7 0, 0.0 3,-2.4 0, 0.0 42,-0.1 -0.221 39.1 -69.6 -70.4 159.7 16.3 61.0 42.6 446 180 B P T 3 S+ 0 0 69 0, 0.0 41,-0.0 0, 0.0 42,-0.0 -0.189 125.3 29.2 -49.1 137.6 18.5 63.3 40.4 447 181 B G T 3 S+ 0 0 75 -3,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.274 121.1 56.5 91.6 -12.0 19.6 66.3 42.4 448 182 B H S < S+ 0 0 78 -3,-2.4 4,-0.2 72,-0.1 72,-0.1 0.042 73.8 98.0-137.7 26.7 19.6 64.3 45.6 449 183 B Q > + 0 0 50 1,-0.2 4,-1.7 2,-0.1 5,-0.2 0.308 42.6 107.4-103.5 13.3 21.9 61.3 44.9 450 184 B E H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.918 80.2 52.2 -56.3 -45.6 25.2 62.5 46.4 451 185 B P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.936 111.8 45.3 -57.2 -46.0 24.8 60.0 49.4 452 186 B I H 4 S+ 0 0 21 -4,-0.2 -2,-0.2 1,-0.2 7,-0.2 0.735 113.8 50.4 -71.0 -21.3 24.3 57.0 47.1 453 187 B E H >< S+ 0 0 112 -4,-1.7 3,-1.5 -3,-0.3 -1,-0.2 0.868 109.6 49.7 -81.7 -38.2 27.1 58.2 44.8 454 188 B V H 3< S+ 0 0 62 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.893 115.5 45.0 -64.9 -37.9 29.5 58.5 47.8 455 189 B W T 3X S+ 0 0 3 -4,-2.2 4,-1.4 -5,-0.3 3,-0.5 0.104 77.3 119.6 -92.3 23.3 28.4 55.0 48.8 456 190 B S H <> + 0 0 17 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.856 68.1 60.9 -57.7 -35.9 28.7 53.6 45.3 457 191 B R H > S+ 0 0 93 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.930 104.9 47.5 -58.2 -45.1 31.4 51.1 46.4 458 192 B Q H > S+ 0 0 33 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.820 108.2 56.0 -66.7 -29.3 28.9 49.5 48.8 459 193 B L H X S+ 0 0 25 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.951 110.8 45.0 -65.0 -46.2 26.3 49.4 46.1 460 194 B G H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.903 113.5 48.3 -63.2 -42.5 28.7 47.5 44.0 461 195 B E H X S+ 0 0 97 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.863 108.4 56.3 -67.0 -32.3 29.7 45.2 46.8 462 196 B G H < S+ 0 0 14 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