==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 15-OCT-09 3K9H . COMPND 2 MOLECULE: PF-32 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 458 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 4 3 1 1 1 2 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 5 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 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 . 0 0 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 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 4 A K 0 0 156 0, 0.0 121,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.0 -0.2 -37.0 -10.2 2 5 A K - 0 0 71 120,-0.1 2,-0.1 118,-0.0 118,-0.0 -0.955 360.0 -83.6-142.4 161.9 2.8 -36.0 -12.3 3 6 A P - 0 0 36 0, 0.0 2,-0.6 0, 0.0 120,-0.2 -0.417 32.9-136.5 -66.7 141.7 3.7 -32.7 -13.9 4 7 A K E -a 123 0A 78 118,-2.2 120,-2.2 -2,-0.1 2,-0.6 -0.907 23.1-151.0 -99.9 118.1 2.2 -31.7 -17.2 5 8 A I E -a 124 0A 18 -2,-0.6 139,-2.9 118,-0.2 140,-2.0 -0.847 14.0-173.8-106.5 116.8 5.0 -30.3 -19.3 6 9 A I E -ab 125 145A 4 118,-3.3 120,-3.0 -2,-0.6 2,-0.5 -0.937 9.7-155.9-112.8 127.8 4.2 -27.7 -22.0 7 10 A T E -ab 126 146A 0 138,-2.4 140,-2.4 -2,-0.4 2,-0.6 -0.875 7.1-150.6 -97.5 133.2 6.7 -26.4 -24.5 8 11 A I E +ab 127 147A 2 118,-3.2 120,-0.9 -2,-0.5 2,-0.3 -0.933 32.1 166.7 -99.9 121.4 6.0 -23.0 -26.0 9 12 A A + 0 0 1 138,-1.9 2,-0.3 -2,-0.6 120,-0.1 -0.959 19.1 162.9-137.5 153.6 7.5 -23.0 -29.4 10 13 A S - 0 0 7 -2,-0.3 121,-0.1 119,-0.3 140,-0.1 -0.860 30.1-147.6-165.5 141.0 7.5 -20.9 -32.6 11 14 A I S S+ 0 0 16 -2,-0.3 2,-0.5 119,-0.1 121,-0.1 0.542 86.6 72.5 -89.7 -9.7 9.9 -20.9 -35.5 12 15 A K S > S- 0 0 63 119,-0.1 3,-0.6 -3,-0.0 5,-0.2 -0.922 80.0-135.5-106.3 128.2 9.2 -17.2 -36.0 13 16 A G T 3 S+ 0 0 23 -2,-0.5 -2,-0.1 1,-0.2 116,-0.0 -0.332 82.3 28.9 -73.4 158.0 10.5 -14.6 -33.5 14 17 A G T 3 S+ 0 0 91 1,-0.1 -1,-0.2 -2,-0.1 0, 0.0 0.667 79.7 118.0 64.6 21.8 8.4 -11.7 -32.2 15 18 A V S < S- 0 0 8 -3,-0.6 166,-0.1 134,-0.1 -1,-0.1 0.246 95.1 -91.3-100.5 10.6 5.1 -13.5 -32.4 16 19 A G S > S+ 0 0 23 165,-0.1 4,-2.2 3,-0.0 5,-0.2 0.708 80.1 140.4 87.1 22.7 4.3 -13.4 -28.6 17 20 A K H > S+ 0 0 13 -5,-0.2 4,-1.9 2,-0.2 5,-0.1 0.971 78.0 34.6 -55.0 -62.5 5.9 -16.8 -27.7 18 21 A S H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 115.7 56.4 -65.5 -41.3 7.5 -15.6 -24.4 19 22 A T H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.937 110.5 46.5 -53.4 -45.1 4.6 -13.2 -23.6 20 23 A S H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.865 107.8 55.7 -66.5 -38.7 2.2 -16.2 -23.9 21 24 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.952 111.4 43.8 -60.3 -48.7 4.5 -18.4 -21.8 22 25 A I H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.964 117.3 43.8 -60.2 -53.9 4.3 -15.8 -19.0 23 26 A I H X S+ 0 0 31 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.894 115.8 47.5 -64.5 -40.2 0.6 -15.2 -19.2 24 27 A L H X S+ 0 0 5 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.948 113.8 47.4 -66.1 -45.2 -0.4 -18.8 -19.5 25 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.912 112.8 50.5 -60.5 -39.6 1.9 -19.8 -16.7 26 29 A T H X S+ 0 0 35 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.932 110.0 48.4 -68.7 -43.7 0.4 -17.0 -14.6 27 30 A L H >< S+ 0 0 27 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.919 112.7 48.9 -59.7 -42.9 -3.2 -18.0 -15.3 28 31 A L H >< S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.2 4,-0.5 0.859 101.5 65.0 -64.4 -33.4 -2.4 -21.6 -14.4 29 32 A S H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.612 81.3 79.4 -68.7 -12.1 -0.6 -20.5 -11.2 30 33 A K T << S+ 0 0 95 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.886 118.8 7.9 -59.2 -37.8 -4.0 -19.2 -9.8 31 34 A N S < S+ 0 0 143 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.132 128.6 52.7-128.8 14.9 -4.9 -22.8 -8.9 32 35 A N S S- 0 0 41 -4,-0.5 2,-0.5 53,-0.1 89,-0.0 -0.950 79.7-109.2-148.1 157.7 -1.7 -24.8 -9.5 33 36 A K - 0 0 102 -2,-0.3 89,-2.1 53,-0.1 90,-1.7 -0.878 46.4-169.0 -93.1 125.6 1.9 -24.8 -8.7 34 37 A V E -cd 86 123A 0 51,-2.5 53,-3.0 -2,-0.5 2,-0.4 -0.967 20.5-158.8-125.9 134.8 3.7 -23.9 -11.8 35 38 A L E -cd 87 124A 0 88,-2.1 90,-3.1 -2,-0.4 2,-0.5 -0.971 9.0-161.4-108.5 127.7 7.4 -23.9 -13.0 36 39 A L E -cd 88 125A 0 51,-3.0 53,-2.0 -2,-0.4 2,-0.5 -0.908 4.8-161.7-103.9 130.1 8.4 -21.7 -15.9 37 40 A I E -cd 89 126A 0 88,-2.8 90,-2.8 -2,-0.5 2,-1.1 -0.982 6.6-152.4-118.4 117.6 11.7 -22.7 -17.5 38 41 A D E + d 0 127A 0 51,-2.2 27,-0.2 -2,-0.5 54,-0.1 -0.771 30.5 157.0 -93.6 92.0 13.3 -19.9 -19.6 39 42 A M + 0 0 0 88,-1.8 2,-0.5 -2,-1.1 90,-0.5 0.107 38.0 112.0-100.7 18.2 15.3 -21.8 -22.2 40 43 A D > - 0 0 5 88,-0.3 3,-1.3 1,-0.1 5,-0.1 -0.821 64.9-143.8 -90.3 128.7 15.3 -18.8 -24.6 41 44 A T T 3 S+ 0 0 15 -2,-0.5 55,-0.2 1,-0.3 -1,-0.1 0.859 101.9 66.0 -55.8 -33.3 18.7 -17.2 -25.2 42 45 A Q T 3 S- 0 0 40 1,-0.1 -1,-0.3 -3,-0.1 51,-0.1 0.784 91.4-153.8 -60.0 -31.2 16.8 -13.9 -25.4 43 46 A A <> + 0 0 13 -3,-1.3 4,-2.2 1,-0.1 5,-0.2 0.801 38.5 150.9 65.4 29.2 15.9 -14.4 -21.7 44 47 A S H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.825 71.7 50.3 -64.0 -33.0 12.7 -12.3 -22.1 45 48 A I H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.958 111.3 46.9 -69.9 -47.5 11.0 -14.3 -19.3 46 49 A T H 4 S+ 0 0 4 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.873 112.6 50.7 -61.1 -36.6 13.9 -13.8 -16.9 47 50 A S H >< S+ 0 0 80 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.908 104.1 57.6 -72.8 -36.3 14.0 -10.1 -17.7 48 51 A Y H 3< S+ 0 0 152 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.880 115.7 37.0 -54.5 -38.0 10.3 -9.8 -17.0 49 52 A F T 3X S+ 0 0 11 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.312 85.9 109.1 -98.3 5.0 10.9 -11.1 -13.5 50 53 A Y H <> S+ 0 0 55 -3,-1.1 4,-3.0 -4,-0.3 5,-0.3 0.818 73.2 55.4 -54.8 -37.6 14.3 -9.4 -13.0 51 54 A E H > S+ 0 0 166 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.950 113.3 42.5 -63.4 -46.9 13.0 -6.8 -10.4 52 55 A K H > S+ 0 0 103 -3,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.919 114.8 50.5 -63.1 -43.4 11.7 -9.6 -8.3 53 56 A I H <>S+ 0 0 0 -4,-2.6 5,-2.2 -7,-0.2 4,-0.2 0.908 111.2 48.1 -61.5 -44.6 14.9 -11.7 -8.9 54 57 A E H ><5S+ 0 0 120 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.940 109.4 53.3 -61.4 -47.8 17.2 -8.8 -7.9 55 58 A K H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.0 50.4 -57.3 -31.7 15.2 -8.1 -4.8 56 59 A L T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.474 111.1-126.8 -85.1 -4.0 15.6 -11.7 -3.7 57 60 A G T < 5 + 0 0 61 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.2 0.806 42.8 178.0 65.1 32.4 19.4 -11.4 -4.3 58 61 A I < - 0 0 60 -5,-2.2 2,-1.4 1,-0.1 -1,-0.2 -0.522 30.1-141.7 -76.1 134.6 19.5 -14.4 -6.6 59 62 A N >> + 0 0 87 -2,-0.3 4,-1.9 1,-0.2 3,-1.1 -0.604 34.5 161.2 -87.4 75.1 22.8 -15.3 -8.2 60 63 A F T 34 + 0 0 10 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.0 0.700 64.4 75.8 -75.1 -15.4 21.4 -16.3 -11.6 61 64 A T T 34 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.829 113.4 23.8 -53.4 -38.4 24.9 -15.9 -13.1 62 65 A K T <4 S+ 0 0 119 -3,-1.1 2,-0.6 1,-0.2 -2,-0.2 0.718 124.5 54.6-100.7 -28.4 25.7 -19.2 -11.4 63 66 A F S < S+ 0 0 55 -4,-1.9 2,-0.3 28,-0.1 -1,-0.2 -0.836 79.1 110.8-115.8 93.1 22.2 -20.8 -11.1 64 67 A N S >> S- 0 0 0 -2,-0.6 4,-1.8 -3,-0.1 3,-0.7 -0.953 79.3 -86.0-155.4 168.2 20.5 -20.9 -14.5 65 68 A I H 3> S+ 0 0 0 25,-2.6 4,-3.0 -2,-0.3 5,-0.2 0.880 120.3 57.2 -53.2 -40.8 19.3 -23.3 -17.2 66 69 A Y H 3> S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 107.6 48.0 -58.6 -42.7 22.7 -23.5 -19.0 67 70 A E H <4>S+ 0 0 31 -3,-0.7 5,-2.0 2,-0.2 6,-1.3 0.812 109.8 52.4 -71.5 -28.4 24.4 -24.6 -15.8 68 71 A I H ><5S+ 0 0 6 -4,-1.8 3,-1.6 3,-0.2 -2,-0.2 0.960 110.4 49.0 -64.2 -47.7 21.8 -27.2 -15.3 69 72 A L H 3<5S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.824 112.2 46.6 -60.4 -36.0 22.4 -28.4 -18.8 70 73 A K T 3<5S- 0 0 77 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.402 110.6-123.6 -86.4 3.0 26.2 -28.5 -18.3 71 74 A E T < 5S+ 0 0 147 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.771 76.8 124.6 53.3 33.7 25.7 -30.4 -15.0 72 75 A N S - 0 0 86 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.618 26.2-124.3 -78.8 143.4 21.7 -29.2 -9.6 75 78 A I G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.837 109.2 66.3 -52.2 -36.9 18.2 -28.1 -10.8 76 79 A D G 3 S+ 0 0 56 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.758 97.9 55.2 -58.4 -26.8 17.0 -27.9 -7.1 77 80 A S G < S+ 0 0 54 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.548 102.6 54.9 -85.0 -9.2 19.5 -25.0 -6.6 78 81 A T S < S+ 0 0 3 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.390 74.8 118.4-106.8 0.5 18.2 -22.8 -9.4 79 82 A I - 0 0 35 -3,-0.5 2,-0.5 -4,-0.3 10,-0.2 -0.589 40.8-168.1 -88.4 129.5 14.5 -22.5 -8.6 80 83 A I E -E 88 0A 6 8,-2.2 8,-1.6 -2,-0.3 2,-1.4 -0.969 22.1-141.0-123.8 122.4 13.0 -19.0 -7.9 81 84 A N E +E 87 0A 90 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.635 35.5 163.4 -74.8 92.4 9.6 -18.2 -6.4 82 85 A V E - 0 0 5 -2,-1.4 2,-0.3 4,-1.2 -1,-0.2 0.608 59.3 -4.3 -93.9 -13.7 9.0 -15.2 -8.6 83 86 A D E > S-E 86 0A 75 3,-1.7 3,-3.0 -3,-0.1 -1,-0.2 -0.973 102.9 -40.9-165.4 172.1 5.2 -14.9 -8.1 84 87 A N T 3 S- 0 0 91 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.181 125.5 -18.7 -45.8 116.5 2.2 -16.5 -6.4 85 88 A N T 3 S+ 0 0 42 1,-0.2 -51,-2.5 -52,-0.1 2,-0.5 0.713 115.3 120.7 58.0 17.1 2.5 -20.3 -6.9 86 89 A L E < -cE 34 83A 0 -3,-3.0 -3,-1.7 -53,-0.2 -4,-1.2 -0.976 40.2-176.0-125.4 119.9 5.0 -19.6 -9.7 87 90 A D E -cE 35 81A 21 -53,-3.0 -51,-3.0 -2,-0.5 2,-0.4 -0.756 6.6-157.8-109.1 158.7 8.6 -20.7 -9.9 88 91 A L E -cE 36 80A 0 -8,-1.6 -8,-2.2 -2,-0.3 -51,-0.2 -0.998 18.7-158.8-139.2 135.2 11.3 -19.9 -12.5 89 92 A I E -c 37 0A 0 -53,-2.0 -51,-2.2 -2,-0.4 -10,-0.1 -0.985 41.8-134.1-106.0 116.9 14.5 -21.4 -13.7 90 93 A P - 0 0 0 0, 0.0 -25,-2.6 0, 0.0 2,-0.3 -0.321 5.3-129.2 -85.3 160.3 16.2 -18.4 -15.2 91 94 A S - 0 0 1 -27,-0.2 2,-0.3 -26,-0.1 -52,-0.1 -0.680 22.7-171.9 -95.4 154.6 17.9 -18.0 -18.5 92 95 A Y > - 0 0 23 -2,-0.3 3,-3.0 -54,-0.1 4,-0.2 -0.978 37.4-107.0-148.6 153.9 21.4 -16.4 -18.8 93 96 A L G > S+ 0 0 15 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.713 110.0 74.7 -65.5 -18.5 23.5 -15.4 -21.9 94 97 A T G > S+ 0 0 30 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.723 77.3 80.4 -60.1 -19.2 25.9 -18.3 -21.5 95 98 A L G X S+ 0 0 2 -3,-3.0 3,-2.0 1,-0.3 4,-0.4 0.801 75.9 74.1 -55.4 -29.8 22.9 -20.4 -22.9 96 99 A H G < S+ 0 0 5 -3,-1.9 3,-0.4 1,-0.3 267,-0.3 0.771 88.4 60.1 -52.0 -29.8 24.1 -19.1 -26.3 97 100 A N G X> S+ 0 0 43 -3,-2.1 4,-1.0 -4,-0.2 3,-0.6 0.658 83.3 84.4 -70.8 -18.7 27.0 -21.5 -26.0 98 101 A F T <4 S+ 0 0 0 -3,-2.0 3,-0.4 -4,-0.3 -1,-0.2 0.836 78.6 59.9 -62.3 -41.7 24.7 -24.6 -25.9 99 102 A S T 34 S+ 0 0 34 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.869 114.1 37.6 -56.0 -36.5 24.1 -25.2 -29.6 100 103 A E T <4 S+ 0 0 70 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.578 89.4 113.9 -91.5 -15.6 27.9 -25.6 -30.3 101 104 A D < - 0 0 36 -4,-1.0 2,-0.7 -3,-0.4 5,-0.0 -0.347 64.0-136.1 -59.5 139.0 28.7 -27.5 -27.1 102 105 A K + 0 0 106 4,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.884 40.1 158.0 -98.7 108.0 29.8 -31.1 -27.7 103 106 A I > - 0 0 53 -2,-0.7 3,-1.1 0, 0.0 2,-0.2 -0.995 43.0-113.1-137.1 140.2 28.0 -33.2 -25.0 104 107 A E T 3 S+ 0 0 157 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.535 103.6 4.6 -68.7 134.6 27.1 -36.9 -24.8 105 108 A H T > S+ 0 0 135 -2,-0.2 3,-1.7 1,-0.1 -1,-0.3 0.862 84.3 169.3 59.6 37.8 23.4 -37.6 -24.9 106 109 A K G X + 0 0 31 -3,-1.1 3,-1.1 1,-0.3 4,-0.3 0.805 64.4 58.1 -54.3 -37.6 23.0 -33.9 -25.5 107 110 A D G 3 S+ 0 0 47 1,-0.2 4,-0.3 -4,-0.1 -1,-0.3 0.689 105.8 48.7 -67.4 -21.4 19.2 -34.1 -26.4 108 111 A F G <> S+ 0 0 87 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.210 77.1 103.4-110.0 9.2 18.2 -35.7 -23.1 109 112 A L H <> S+ 0 0 14 -3,-1.1 4,-2.6 -4,-0.2 5,-0.2 0.910 85.5 43.4 -60.5 -46.5 19.9 -33.4 -20.7 110 113 A L H > S+ 0 0 0 -4,-0.3 4,-3.2 -3,-0.2 5,-0.2 0.961 115.3 50.2 -66.1 -44.2 16.8 -31.5 -19.7 111 114 A K H > S+ 0 0 115 -4,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.896 112.5 47.5 -52.9 -49.2 14.8 -34.8 -19.5 112 115 A T H X S+ 0 0 91 -4,-2.6 4,-0.6 2,-0.2 3,-0.4 0.924 113.6 46.9 -60.3 -47.7 17.6 -36.3 -17.3 113 116 A S H >X S+ 0 0 18 -4,-2.6 3,-1.5 1,-0.2 4,-0.8 0.927 110.0 52.5 -65.6 -42.2 17.7 -33.2 -15.0 114 117 A L H 3< S+ 0 0 26 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.736 101.6 64.1 -62.1 -24.1 13.9 -33.0 -14.6 115 118 A G H 3< S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.709 103.4 46.0 -69.6 -22.3 14.1 -36.7 -13.6 116 119 A T H << S+ 0 0 83 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.692 82.7 122.0 -93.3 -19.4 16.1 -35.8 -10.5 117 120 A L < - 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0 0 116 23,-0.2 2,-1.2 -3,-0.1 5,-0.1 -0.984 39.2-107.3-140.6 148.1 18.0 7.1 -26.2 416 188 B K S S+ 0 0 109 -2,-0.3 2,-0.3 4,-0.1 3,-0.0 -0.688 75.2 110.0 -76.4 97.9 19.3 9.9 -23.8 417 189 B N S > S- 0 0 69 -2,-1.2 4,-2.4 1,-0.1 3,-0.4 -0.965 80.6 -92.6-161.4 170.6 19.1 8.1 -20.5 418 190 B R H > S+ 0 0 77 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.843 118.8 48.2 -57.6 -39.4 21.4 6.7 -17.8 419 191 B T H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.798 114.8 44.4 -85.4 -22.7 21.6 3.2 -19.1 420 192 B H H > S+ 0 0 22 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.864 111.2 54.8 -77.9 -39.5 22.3 4.1 -22.7 421 193 B K H X S+ 0 0 44 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.898 106.8 52.5 -57.4 -42.2 24.9 6.7 -21.7 422 194 B T H X S+ 0 0 83 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.837 110.7 44.2 -66.2 -40.8 26.7 4.1 -19.7 423 195 B L H X S+ 0 0 10 -4,-1.0 4,-3.1 2,-0.2 5,-0.2 0.940 114.9 51.4 -67.6 -46.7 27.0 1.6 -22.6 424 196 B F H X S+ 0 0 63 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 107.1 51.8 -55.8 -45.5 28.0 4.5 -24.9 425 197 B E H < S+ 0 0 103 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.905 115.1 44.1 -57.6 -40.5 30.7 5.7 -22.4 426 198 B I H >< S+ 0 0 70 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.911 119.5 38.7 -69.3 -44.3 32.0 2.1 -22.5 427 199 B L H >< S+ 0 0 2 -4,-3.1 3,-2.4 1,-0.2 6,-0.2 0.837 97.3 74.9 -83.1 -31.6 31.8 1.4 -26.2 428 200 B K T 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.634 94.9 54.0 -60.7 -16.7 32.9 4.8 -27.7 429 201 B T T < S+ 0 0 108 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.3 0.356 81.6 107.6 -99.3 1.4 36.6 4.2 -26.8 430 202 B K S X S- 0 0 90 -3,-2.4 3,-2.0 1,-0.1 -21,-0.1 -0.653 79.2-121.5 -82.8 138.1 36.8 0.8 -28.6 431 203 B D T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.3 -23,-0.1 0.872 108.1 42.3 -47.5 -44.7 38.9 1.1 -31.8 432 204 B R T 3 S+ 0 0 95 -25,-0.2 -23,-1.8 -24,-0.0 -1,-0.3 0.177 76.3 133.6-100.3 20.6 36.1 -0.1 -34.0 433 205 B F E < -n 409 0B 28 -3,-2.0 -23,-0.2 -6,-0.2 -25,-0.0 -0.529 30.3-175.5 -68.5 132.6 33.1 1.8 -32.6 434 206 B L E - 0 0 5 -25,-3.0 2,-0.3 1,-0.3 22,-0.2 0.640 39.1 -99.9-105.5 -24.9 31.2 3.3 -35.4 435 207 B G E -n 410 0B 14 -26,-0.6 -24,-2.1 21,-0.1 2,-0.4 -0.846 39.7 -59.5 129.1-170.0 28.4 5.4 -33.7 436 208 B T E -n 411 0B 36 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.903 21.1-154.5-126.3 144.5 24.8 5.4 -32.7 437 209 B I E - 0 0 8 -26,-2.3 -23,-2.5 -2,-0.4 2,-0.1 -0.973 28.0-129.6-113.5 131.7 21.4 5.1 -34.4 438 210 B S E -n 414 0B 52 -2,-0.5 2,-0.5 -25,-0.2 -25,-0.4 -0.411 25.1-101.2 -76.2 154.5 18.5 6.7 -32.5 439 211 B E + 0 0 68 -25,-2.0 2,-0.3 -27,-0.2 -1,-0.1 -0.664 54.1 164.0 -72.0 119.4 15.2 5.0 -31.8 440 212 B R 0 0 56 -2,-0.5 -27,-0.1 -3,-0.0 -3,-0.0 -0.978 360.0 360.0-147.0 125.1 12.8 6.3 -34.4 441 213 B E 0 0 141 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.032 360.0 360.0 -91.5 360.0 9.3 4.9 -35.3 442 ! 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 0.0 443 228 B N 0 0 143 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.6 15.8 11.6 -46.4 444 229 B K > - 0 0 36 1,-0.1 4,-1.9 3,-0.1 5,-0.1 0.082 360.0-109.4 -70.7 169.0 15.3 11.2 -42.6 445 230 B D H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.875 119.4 53.0 -63.5 -40.1 17.5 11.9 -39.6 446 231 B Y H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 105.2 54.7 -66.4 -35.5 18.0 8.2 -39.0 447 232 B I H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.970 108.4 49.6 -56.2 -49.1 19.1 7.6 -42.6 448 233 B K H X S+ 0 0 36 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.801 106.3 55.8 -66.1 -28.3 21.7 10.3 -42.1 449 234 B E H X S+ 0 0 44 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.932 108.3 47.3 -64.8 -42.7 22.8 8.5 -38.9 450 235 B Y H X S+ 0 0 10 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.918 109.4 55.5 -62.8 -35.9 23.3 5.4 -41.0 451 236 B E H X S+ 0 0 94 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 107.3 48.9 -60.6 -42.3 25.2 7.5 -43.5 452 237 B N H X S+ 0 0 92 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.935 111.3 49.2 -64.8 -44.6 27.5 8.6 -40.7 453 238 B I H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 112.9 46.9 -57.7 -49.5 28.0 5.1 -39.6 454 239 B L H X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.909 110.4 54.4 -61.7 -40.1 28.8 3.9 -43.2 455 240 B E H X S+ 0 0 96 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.924 111.2 42.7 -58.0 -49.1 31.2 6.8 -43.7 456 241 B I H X S+ 0 0 65 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.849 113.8 53.1 -74.3 -33.0 33.3 6.1 -40.6 457 242 B F H >X S+ 0 0 2 -4,-2.3 4,-0.8 -5,-0.2 3,-0.6 0.944 108.7 49.1 -60.3 -49.5 33.3 2.3 -41.5 458 243 B L H >< S+ 0 0 61 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.853 109.7 52.1 -65.1 -36.0 34.5 3.0 -45.0 459 244 B K H 3< S+ 0 0 155 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.759 107.4 54.0 -65.8 -26.3 37.3 5.2 -43.7 460 245 B K H << 0 0 85 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.577 360.0 360.0 -89.2 -10.9 38.4 2.4 -41.2 461 246 B I << 0 0 74 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.363 360.0 360.0-107.2 360.0 38.8 -0.4 -43.9