==== 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 STRUCTURAL PROTEIN 22-NOV-05 2F44 . COMPND 2 MOLECULE: SH3 AND MULTIPLE ANKYRIN REPEAT DOMAINS 3; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.K.BARON,J.U.BOWIE,S.FAHAM . 191 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.7 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 6 0 0 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 158 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 167.0 22.9 23.2 -8.0 2 2 A L G > + 0 0 22 1,-0.3 3,-2.6 2,-0.2 32,-0.2 0.830 360.0 51.3 -34.2 -66.6 20.6 20.6 -6.5 3 3 A Q G 3 S+ 0 0 143 1,-0.3 31,-0.4 30,-0.2 -1,-0.3 0.684 112.0 50.5 -52.7 -19.0 23.0 17.7 -6.3 4 4 A L G < S+ 0 0 127 -3,-2.4 -1,-0.3 29,-0.1 2,-0.2 0.420 83.1 119.2-100.8 0.1 25.6 19.9 -4.6 5 5 A W < - 0 0 50 -3,-2.6 28,-1.9 -4,-0.5 29,-0.4 -0.472 51.6-149.1 -72.6 132.4 23.2 21.3 -1.9 6 6 A S > - 0 0 47 -2,-0.2 4,-2.0 26,-0.2 3,-0.2 -0.277 41.1 -91.0 -84.4-179.2 24.0 20.6 1.7 7 7 A K H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 24,-0.1 0.832 129.2 54.8 -65.3 -28.5 21.2 20.3 4.2 8 8 A F H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.833 104.8 51.8 -73.6 -33.4 21.4 24.0 4.9 9 9 A D H > S+ 0 0 60 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.946 107.4 52.1 -67.6 -46.7 21.0 24.9 1.2 10 10 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.898 110.0 51.3 -54.2 -39.9 17.9 22.7 1.0 11 11 A G H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.921 110.2 46.8 -63.7 -44.0 16.7 24.7 4.0 12 12 A D H X S+ 0 0 87 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.877 110.9 53.8 -64.8 -37.6 17.4 28.0 2.3 13 13 A W H X S+ 0 0 24 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.886 104.6 54.0 -64.3 -40.3 15.7 26.7 -0.8 14 14 A L H ><>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 3,-0.6 0.903 108.8 49.2 -62.3 -39.9 12.6 25.8 1.2 15 15 A E H ><5S+ 0 0 108 -4,-1.7 3,-2.3 4,-0.3 5,-0.3 0.925 105.3 57.7 -64.1 -43.3 12.4 29.4 2.5 16 16 A S H 3<5S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.704 110.0 44.1 -62.0 -19.8 12.8 30.8 -1.0 17 17 A I T <<5S- 0 0 39 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.128 123.0-105.2-109.8 18.7 9.7 28.9 -2.1 18 18 A H T < 5S+ 0 0 165 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.838 94.9 105.2 64.1 40.1 7.8 29.9 1.0 19 19 A L > < + 0 0 2 -5,-3.0 3,-2.7 -6,-0.1 -4,-0.3 -0.063 28.4 132.2-134.9 30.5 7.9 26.6 2.9 20 20 A G G > + 0 0 24 -6,-0.4 3,-1.3 -5,-0.3 4,-0.5 0.682 58.9 79.3 -57.3 -18.9 10.5 27.6 5.4 21 21 A E G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -7,-0.2 4,-0.3 0.745 94.9 49.0 -61.0 -23.1 8.2 26.1 8.1 22 22 A H G <> S+ 0 0 19 -3,-2.7 4,-2.0 1,-0.1 -1,-0.3 0.510 84.8 89.6 -95.7 -5.2 9.6 22.8 6.9 23 23 A R H <> S+ 0 0 36 -3,-1.3 4,-2.3 -4,-0.3 5,-0.2 0.855 82.5 54.3 -63.8 -37.0 13.4 23.6 7.0 24 24 A D H > S+ 0 0 104 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.945 112.1 43.2 -62.1 -48.2 14.1 22.6 10.6 25 25 A R H > S+ 0 0 124 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.894 113.4 51.4 -65.4 -40.5 12.6 19.1 10.2 26 26 A F H <>S+ 0 0 3 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.905 112.1 48.8 -61.4 -40.9 14.3 18.6 6.9 27 27 A E H ><5S+ 0 0 49 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.889 108.1 52.3 -65.9 -42.5 17.5 19.6 8.5 28 28 A D H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.7 50.2 -64.4 -31.4 17.0 17.2 11.5 29 29 A H T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.418 113.8-121.3 -86.7 2.1 16.5 14.4 9.0 30 30 A E T < 5 + 0 0 97 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.855 43.7 178.8 63.1 38.1 19.7 15.3 7.2 31 31 A I < - 0 0 13 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.591 3.8-176.5 -74.3 125.3 17.9 15.9 3.8 32 32 A E >> - 0 0 84 -2,-0.4 3,-2.0 -22,-0.1 4,-1.1 -0.741 41.7 -93.5-118.2 168.4 20.4 17.1 1.2 33 33 A G G >4 S+ 0 0 0 -28,-1.9 3,-0.7 1,-0.3 -30,-0.2 0.884 121.5 56.7 -44.2 -51.2 20.1 18.2 -2.4 34 34 A A G 34 S+ 0 0 57 -29,-0.4 -1,-0.3 -31,-0.4 4,-0.2 0.648 104.2 55.3 -58.6 -18.2 20.7 14.7 -3.8 35 35 A H G X> S+ 0 0 76 -3,-2.0 3,-1.7 1,-0.1 4,-0.8 0.819 87.1 79.1 -84.8 -35.7 17.8 13.3 -1.7 36 36 A L G X< S+ 0 0 1 -4,-1.1 3,-1.4 -3,-0.7 -2,-0.1 0.852 87.8 52.1 -42.1 -56.9 15.1 15.6 -3.0 37 37 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.716 112.9 47.5 -59.1 -19.3 14.2 14.0 -6.3 38 38 A A G <4 S+ 0 0 76 -3,-1.7 -2,-0.2 -4,-0.2 2,-0.1 0.517 79.5 119.3-100.9 -6.7 13.8 10.5 -4.7 39 39 A L << - 0 0 27 -3,-1.4 2,-0.1 -4,-0.8 -3,-0.0 -0.386 52.5-148.5 -62.9 134.0 11.6 11.5 -1.8 40 40 A T > - 0 0 61 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.424 31.1 -97.2 -95.7 174.8 8.3 9.7 -1.9 41 41 A K H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.855 127.6 51.4 -59.8 -34.4 4.9 10.8 -0.7 42 42 A E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 105.4 52.7 -72.9 -36.8 5.6 8.8 2.4 43 43 A D H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.924 109.0 51.2 -63.8 -43.3 9.0 10.4 3.1 44 44 A F H <>S+ 0 0 8 -4,-2.3 5,-2.7 2,-0.2 4,-0.3 0.872 108.2 51.8 -61.3 -37.8 7.3 13.8 2.8 45 45 A V H ><5S+ 0 0 71 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.950 111.1 47.2 -62.8 -47.7 4.7 12.8 5.3 46 46 A E H 3<5S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.3 55.6 -64.7 -23.8 7.5 11.7 7.7 47 47 A L T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.458 124.0-103.6 -88.0 -1.4 9.2 15.0 7.0 48 48 A G T < 5S+ 0 0 14 -3,-1.6 2,-1.8 -4,-0.3 -3,-0.2 0.434 82.0 129.5 96.7 -1.8 6.1 16.9 8.1 49 49 A V < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.602 20.8 148.8 -87.6 79.2 4.8 17.9 4.7 50 50 A T + 0 0 99 -2,-1.8 2,-0.7 -5,-0.1 -1,-0.2 0.391 41.4 90.2 -94.2 1.4 1.3 16.7 5.3 51 51 A R >> - 0 0 154 1,-0.2 4,-2.0 -3,-0.1 3,-1.0 -0.895 69.4-146.9-102.6 116.0 -0.5 19.2 3.2 52 52 A V H 3> S+ 0 0 87 -2,-0.7 4,-2.3 1,-0.3 5,-0.2 0.844 98.4 57.7 -47.9 -39.6 -0.9 18.0 -0.4 53 53 A G H 3> S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.896 106.8 46.9 -60.7 -41.2 -0.6 21.5 -1.6 54 54 A H H <> S+ 0 0 39 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.885 110.9 50.8 -70.8 -36.6 2.8 22.0 -0.0 55 55 A R H X S+ 0 0 25 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.884 110.3 51.8 -65.8 -36.3 4.1 18.6 -1.4 56 56 A E H X S+ 0 0 90 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.831 107.1 52.1 -68.4 -32.7 2.9 19.8 -4.8 57 57 A N H X S+ 0 0 54 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.908 111.2 47.2 -69.7 -39.9 4.8 23.0 -4.4 58 58 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.955 114.0 47.5 -63.7 -49.4 7.9 21.1 -3.6 59 59 A E H X S+ 0 0 72 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.912 112.8 48.1 -57.7 -47.7 7.4 18.7 -6.5 60 60 A R H X S+ 0 0 114 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.888 109.9 52.6 -62.9 -39.2 6.7 21.5 -8.9 61 61 A A H X S+ 0 0 7 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.843 106.2 54.4 -66.0 -33.0 9.8 23.5 -7.7 62 62 A L H < S+ 0 0 15 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.852 106.5 51.4 -68.6 -35.0 11.9 20.4 -8.3 63 63 A R H < S+ 0 0 157 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 99.4 63.9 -72.9 -31.9 10.8 20.1 -11.9 64 64 A Q H < 0 0 149 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 360.0 360.0 -58.8 -31.6 11.6 23.7 -12.5 65 65 A L < 0 0 111 -4,-0.8 -1,-0.3 -3,-0.3 -4,-0.0 -0.736 360.0 360.0-104.8 360.0 15.1 22.7 -11.9 66 !* 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 67 2 B L > 0 0 100 0, 0.0 3,-1.3 0, 0.0 32,-0.4 0.000 360.0 360.0 360.0-166.0 17.5 83.9 10.5 68 3 B Q T 3 + 0 0 172 1,-0.3 31,-0.2 30,-0.3 30,-0.0 0.645 360.0 61.3 -69.6 -14.2 14.5 86.0 9.2 69 4 B L T 3 S+ 0 0 149 29,-0.1 -1,-0.3 28,-0.1 2,-0.1 0.647 79.6 117.5 -84.3 -15.7 17.0 88.5 7.8 70 5 B W < - 0 0 52 -3,-1.3 28,-0.9 4,-0.1 29,-0.4 -0.305 53.0-154.0 -59.7 125.9 18.5 85.8 5.6 71 6 B S >> - 0 0 44 26,-0.2 4,-1.6 -2,-0.1 3,-0.7 -0.423 39.3 -95.4 -87.8 171.2 18.1 86.4 1.9 72 7 B K H 3> S+ 0 0 72 1,-0.3 4,-1.5 2,-0.2 24,-0.1 0.860 129.0 53.0 -59.2 -31.2 18.1 83.4 -0.5 73 8 B F H 3> S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.773 102.4 56.1 -74.6 -26.3 21.8 83.9 -1.0 74 9 B D H <> S+ 0 0 66 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.838 107.7 50.9 -71.0 -31.1 22.5 83.9 2.7 75 10 B V H X S+ 0 0 0 -4,-1.6 4,-2.3 21,-0.2 -2,-0.2 0.861 108.8 51.0 -71.2 -37.7 20.7 80.5 2.7 76 11 B G H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.981 109.9 48.5 -63.2 -54.2 23.0 79.4 -0.1 77 12 B D H X S+ 0 0 88 -4,-2.7 4,-3.0 1,-0.3 -2,-0.2 0.918 111.5 50.2 -51.3 -47.4 26.1 80.5 1.8 78 13 B W H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.898 108.9 52.2 -59.5 -41.6 24.9 78.6 4.8 79 14 B L H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-0.3 0.924 112.3 44.3 -62.1 -42.9 24.2 75.5 2.8 80 15 B E H ><5S+ 0 0 112 -4,-2.7 3,-2.2 4,-0.3 5,-0.3 0.896 107.1 63.8 -65.6 -36.3 27.8 75.7 1.4 81 16 B S H 3<5S+ 0 0 78 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.866 107.4 40.0 -52.3 -41.4 28.8 76.4 5.0 82 17 B I T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.077 125.9 -98.5 -99.3 23.8 27.5 72.9 6.0 83 18 B H T < 5S+ 0 0 167 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.869 95.6 108.3 65.7 42.4 28.9 71.2 2.9 84 19 B L > < + 0 0 3 -5,-2.6 3,-2.7 -8,-0.2 -4,-0.3 -0.009 23.1 134.1-135.7 30.9 25.7 71.1 0.8 85 20 B G G > + 0 0 25 1,-0.3 3,-0.9 -6,-0.3 4,-0.4 0.617 59.8 80.7 -57.2 -12.7 26.4 73.7 -1.8 86 21 B E G 3 S+ 0 0 117 1,-0.2 -1,-0.3 -7,-0.2 4,-0.3 0.713 95.4 46.8 -66.2 -20.1 25.1 71.2 -4.3 87 22 B H G <> S+ 0 0 16 -3,-2.7 4,-2.1 1,-0.1 -1,-0.2 0.498 84.5 90.1-101.9 -4.6 21.7 72.4 -3.3 88 23 B R H <> S+ 0 0 39 -3,-0.9 4,-1.9 -4,-0.3 -1,-0.1 0.838 83.9 53.9 -65.1 -32.9 22.1 76.1 -3.4 89 24 B D H > S+ 0 0 103 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.939 111.4 45.0 -66.7 -45.5 21.0 76.6 -7.0 90 25 B R H > S+ 0 0 108 -4,-0.3 4,-1.9 2,-0.2 5,-0.2 0.949 114.6 47.3 -61.6 -50.8 17.7 74.8 -6.5 91 26 B F H <>S+ 0 0 2 -4,-2.1 5,-2.5 1,-0.2 -1,-0.2 0.857 112.5 52.7 -58.3 -34.9 16.9 76.6 -3.2 92 27 B E H ><5S+ 0 0 56 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.874 107.5 49.5 -67.8 -40.9 17.9 79.8 -5.0 93 28 B D H 3<5S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.0 48.0 -70.4 -29.3 15.5 79.2 -7.9 94 29 B H T 3<5S- 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.394 112.7-125.3 -90.2 2.6 12.7 78.4 -5.5 95 30 B E T < 5 - 0 0 119 -3,-0.8 2,-0.4 -5,-0.2 -3,-0.2 0.900 38.9-178.1 53.9 52.1 13.5 81.6 -3.6 96 31 B I < - 0 0 14 -5,-2.5 2,-0.3 -24,-0.1 -21,-0.2 -0.649 2.2-172.5 -81.6 130.5 14.0 80.0 -0.2 97 32 B E >> - 0 0 86 -2,-0.4 3,-1.9 1,-0.1 4,-1.1 -0.778 39.7 -96.3-120.0 166.1 14.8 82.5 2.5 98 33 B G G >4 S+ 0 0 4 -28,-0.9 3,-1.7 1,-0.3 -30,-0.3 0.924 122.5 55.9 -42.8 -60.1 15.8 82.0 6.2 99 34 B A G 34 S+ 0 0 52 -32,-0.4 4,-0.3 -29,-0.4 -1,-0.3 0.705 104.7 56.6 -48.0 -24.8 12.3 82.5 7.4 100 35 B H G X> S+ 0 0 83 -3,-1.9 3,-0.9 1,-0.2 4,-0.8 0.791 87.9 76.7 -79.6 -31.8 11.2 79.7 5.2 101 36 B L G X< S+ 0 0 4 -3,-1.7 3,-1.3 -4,-1.1 -2,-0.2 0.882 88.8 53.7 -48.8 -52.4 13.6 77.0 6.6 102 37 B P G 34 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.817 111.9 46.6 -56.1 -30.8 11.7 76.2 9.8 103 38 B A G <4 S+ 0 0 76 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.513 82.5 117.4 -91.1 -6.6 8.5 75.5 7.9 104 39 B L << - 0 0 30 -3,-1.3 2,-0.2 -4,-0.8 -3,-0.0 -0.338 51.1-152.4 -63.1 141.4 9.9 73.3 5.1 105 40 B T > - 0 0 56 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.577 32.2 -99.0-109.0 174.5 8.6 69.7 5.1 106 41 B K H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.908 126.2 52.5 -57.9 -40.4 10.0 66.5 4.0 107 42 B E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 107.8 49.9 -66.3 -33.3 8.0 66.9 0.8 108 43 B D H > S+ 0 0 53 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.926 109.5 50.8 -71.3 -43.8 9.4 70.4 0.2 109 44 B F H <>S+ 0 0 14 -4,-2.5 5,-3.1 1,-0.2 -2,-0.2 0.885 109.9 51.2 -60.1 -37.7 13.0 69.2 0.7 110 45 B V H ><5S+ 0 0 68 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.937 110.5 47.6 -64.8 -44.7 12.3 66.4 -1.8 111 46 B E H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 107.5 57.7 -64.1 -31.6 10.9 68.9 -4.3 112 47 B L T 3<5S- 0 0 6 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.380 126.4-100.9 -80.2 4.7 14.0 71.1 -3.6 113 48 B G T < 5S+ 0 0 24 -3,-1.7 2,-1.5 1,-0.2 3,-0.3 0.539 80.4 134.6 90.7 6.1 16.2 68.2 -4.7 114 49 B V < + 0 0 2 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.1 -0.645 16.1 148.5 -91.7 81.5 17.2 66.9 -1.3 115 50 B T + 0 0 97 -2,-1.5 2,-0.5 -5,-0.1 -1,-0.2 0.693 43.2 88.2 -85.7 -25.9 16.7 63.2 -2.0 116 51 B R > - 0 0 149 -3,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.679 69.3-148.5 -80.5 123.1 19.3 61.9 0.3 117 52 B V H > S+ 0 0 96 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.860 96.4 57.6 -58.5 -38.0 17.9 61.4 3.8 118 53 B G H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 107.2 46.3 -61.1 -42.1 21.3 62.1 5.4 119 54 B H H > S+ 0 0 46 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 111.8 51.5 -69.0 -35.6 21.5 65.5 3.7 120 55 B R H X S+ 0 0 68 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.948 111.4 48.3 -65.2 -47.5 17.9 66.3 4.7 121 56 B E H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.849 107.3 54.8 -64.7 -32.8 18.7 65.3 8.3 122 57 B N H X S+ 0 0 63 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.864 108.8 50.0 -68.7 -31.6 21.8 67.5 8.3 123 58 B I H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.949 111.0 46.7 -70.0 -48.7 19.7 70.4 7.3 124 59 B E H X S+ 0 0 91 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.941 113.2 51.3 -57.3 -47.4 17.1 69.9 10.1 125 60 B R H X S+ 0 0 137 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.936 109.0 48.7 -54.4 -53.6 19.9 69.5 12.6 126 61 B A H < S+ 0 0 16 -4,-2.3 -1,-0.2 2,-0.2 3,-0.2 0.923 110.7 54.0 -53.7 -47.1 21.6 72.7 11.6 127 62 B L H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.966 99.7 55.0 -50.2 -73.1 18.3 74.6 11.8 128 63 B R H < S+ 0 0 163 -4,-1.9 2,-2.7 1,-0.3 -1,-0.2 0.817 96.5 72.1 -30.2 -43.8 17.2 73.7 15.3 129 64 B Q < 0 0 152 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.198 360.0 360.0 -73.3 49.4 20.6 75.1 16.3 130 65 B L 0 0 134 -2,-2.7 -3,-0.0 -63,-0.0 0, 0.0 -0.928 360.0 360.0-157.1 360.0 19.3 78.5 15.5 131 !* 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 0.0 132 2 C L > 0 0 90 0, 0.0 3,-3.9 0, 0.0 32,-0.3 0.000 360.0 360.0 360.0 -63.9 68.9 53.2 11.2 133 3 C Q T 3 + 0 0 142 1,-0.3 31,-0.2 30,-0.2 32,-0.0 0.600 360.0 54.4 -47.9 -12.8 65.6 54.9 10.3 134 4 C L T 3 S+ 0 0 165 29,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.337 81.3 118.7-106.0 3.9 67.7 57.7 8.8 135 5 C W < - 0 0 81 -3,-3.9 28,-1.2 4,-0.1 29,-0.5 -0.540 50.6-152.6 -75.7 131.9 69.7 55.4 6.5 136 6 C S > - 0 0 38 -2,-0.3 4,-1.7 26,-0.2 3,-0.2 -0.354 37.0 -94.9 -90.9 179.5 69.5 56.1 2.8 137 7 C K H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 24,-0.1 0.862 126.5 55.7 -65.4 -34.7 70.0 53.4 0.2 138 8 C F H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.835 106.0 51.5 -65.5 -33.8 73.6 54.3 -0.2 139 9 C D H > S+ 0 0 58 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.886 109.0 49.9 -69.6 -40.3 74.1 53.9 3.6 140 10 C V H X S+ 0 0 0 -4,-1.7 4,-2.5 21,-0.2 -2,-0.2 0.928 110.0 52.8 -62.4 -43.7 72.6 50.4 3.4 141 11 C G H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.941 110.3 45.5 -56.5 -50.9 74.9 49.7 0.5 142 12 C D H >X S+ 0 0 87 -4,-2.5 4,-2.3 1,-0.2 3,-1.0 0.898 110.7 54.6 -60.7 -40.2 78.0 50.8 2.5 143 13 C W H 3X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.3 -1,-0.2 0.899 101.5 58.1 -59.4 -42.6 76.7 48.7 5.5 144 14 C L H 3<>S+ 0 0 0 -4,-2.5 5,-3.5 1,-0.2 -1,-0.3 0.721 109.1 46.3 -62.1 -21.2 76.5 45.6 3.2 145 15 C E H X<5S+ 0 0 99 -3,-1.0 3,-3.2 -4,-0.8 5,-0.2 0.876 102.5 61.6 -85.7 -42.2 80.2 46.1 2.5 146 16 C S H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.702 110.4 43.7 -56.3 -18.6 81.1 46.6 6.2 147 17 C I T 3<5S- 0 0 34 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.051 123.8-106.1-114.4 22.4 79.7 43.1 6.7 148 18 C H T < 5S+ 0 0 169 -3,-3.2 -3,-0.2 1,-0.1 -2,-0.1 0.830 90.5 111.1 59.1 41.1 81.4 41.7 3.6 149 19 C L > < + 0 0 2 -5,-3.5 3,-2.2 -6,-0.1 4,-0.3 -0.034 24.2 136.0-130.6 31.9 78.3 41.4 1.4 150 20 C G G > + 0 0 28 1,-0.3 3,-1.1 -5,-0.2 4,-0.5 0.696 58.9 76.4 -53.6 -23.0 79.0 44.1 -1.1 151 21 C E G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -7,-0.2 4,-0.2 0.529 96.8 49.9 -68.7 -3.2 77.9 41.8 -4.0 152 22 C H G <> S+ 0 0 16 -3,-2.2 4,-2.2 -11,-0.1 -1,-0.2 0.556 84.6 86.1-109.4 -11.2 74.4 42.5 -2.9 153 23 C R H <> S+ 0 0 49 -3,-1.1 4,-1.8 -4,-0.3 -2,-0.1 0.825 84.1 57.3 -62.1 -33.9 74.5 46.3 -2.7 154 24 C D H > S+ 0 0 119 -4,-0.5 4,-1.8 2,-0.2 3,-0.3 0.978 111.5 41.1 -59.3 -57.5 73.7 46.9 -6.4 155 25 C R H > S+ 0 0 110 1,-0.3 4,-2.2 -4,-0.2 -2,-0.2 0.891 113.4 53.4 -57.6 -44.7 70.4 45.0 -6.2 156 26 C F H <>S+ 0 0 1 -4,-2.2 5,-3.0 1,-0.2 -1,-0.3 0.842 111.7 47.8 -61.3 -31.6 69.5 46.5 -2.9 157 27 C E H ><5S+ 0 0 43 -4,-1.8 3,-0.7 -3,-0.3 -1,-0.2 0.782 107.0 53.9 -81.0 -27.5 70.0 49.9 -4.4 158 28 C D H 3<5S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.869 110.6 47.5 -72.1 -34.8 68.0 49.1 -7.5 159 29 C H T 3<5S- 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.351 114.4-126.1 -84.4 5.9 65.1 48.1 -5.3 160 30 C E T < 5 - 0 0 111 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.878 37.8-174.5 47.7 50.0 65.8 51.3 -3.4 161 31 C I < - 0 0 15 -5,-3.0 2,-0.2 -6,-0.1 -21,-0.2 -0.609 2.4-166.7 -75.5 124.8 66.1 49.6 -0.0 162 32 C E >> - 0 0 90 -2,-0.4 3,-1.9 -22,-0.1 4,-1.1 -0.714 36.7 -99.4-110.6 163.4 66.6 52.1 2.8 163 33 C G G >4 S+ 0 0 0 -28,-1.2 3,-0.5 1,-0.3 -30,-0.2 0.854 121.7 57.8 -48.0 -41.4 67.6 51.5 6.4 164 34 C A G 34 S+ 0 0 42 -29,-0.5 4,-0.3 -32,-0.3 -1,-0.3 0.758 102.1 56.2 -63.2 -25.3 64.0 51.6 7.6 165 35 C H G X> S+ 0 0 74 -3,-1.9 3,-1.7 1,-0.2 4,-0.9 0.817 86.3 80.5 -76.3 -33.7 63.2 48.7 5.2 166 36 C L G X< S+ 0 0 5 -4,-1.1 3,-1.1 -3,-0.5 -1,-0.2 0.846 87.8 52.7 -42.5 -52.1 65.8 46.3 6.6 167 37 C P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.756 112.6 46.5 -60.5 -24.5 63.8 45.2 9.7 168 38 C A G <4 S+ 0 0 74 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.1 0.531 78.8 122.4 -96.8 -8.5 60.8 44.3 7.6 169 39 C L << - 0 0 24 -3,-1.1 2,-0.2 -4,-0.9 -3,-0.0 -0.292 48.9-153.1 -56.1 138.1 62.5 42.4 4.8 170 40 C T > - 0 0 56 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.625 31.7-101.1-108.2 169.7 61.1 38.8 4.6 171 41 C K H > S+ 0 0 116 1,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.871 127.4 52.3 -57.0 -36.0 62.7 35.7 3.3 172 42 C E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.851 108.1 49.5 -69.4 -35.5 60.7 36.3 0.1 173 43 C D H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 109.3 52.4 -69.4 -41.1 62.0 39.8 -0.2 174 44 C F H <>S+ 0 0 5 -4,-2.7 5,-3.2 2,-0.2 -2,-0.2 0.915 108.6 49.7 -59.5 -44.5 65.6 38.6 0.3 175 45 C V H ><5S+ 0 0 65 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.900 112.0 48.8 -61.0 -40.2 65.1 36.1 -2.5 176 46 C E H 3<5S+ 0 0 112 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.855 108.2 54.6 -66.8 -34.9 63.8 38.9 -4.6 177 47 C L T 3<5S- 0 0 6 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.402 125.2-103.7 -79.9 2.9 66.8 41.0 -3.6 178 48 C G T < 5S+ 0 0 19 -3,-1.2 2,-1.2 -4,-0.2 -3,-0.2 0.613 81.3 131.6 86.9 11.7 69.1 38.2 -4.8 179 49 C V < + 0 0 0 -5,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.669 17.0 147.5 -98.3 79.6 70.0 36.9 -1.4 180 50 C T + 0 0 89 -2,-1.2 2,-0.7 -5,-0.1 -1,-0.2 0.597 42.6 89.8 -89.3 -14.0 69.4 33.2 -2.1 181 51 C R >> - 0 0 164 -3,-0.2 4,-1.8 1,-0.2 3,-0.8 -0.775 68.1-150.1 -88.9 117.7 72.1 31.8 0.1 182 52 C V H 3> S+ 0 0 81 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.875 95.8 60.1 -52.2 -42.3 70.6 31.2 3.6 183 53 C G H 3> S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.894 106.4 47.7 -53.8 -41.1 74.0 31.8 5.2 184 54 C H H <> S+ 0 0 48 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.887 107.7 52.8 -70.0 -39.9 74.0 35.2 3.8 185 55 C R H X S+ 0 0 23 -4,-1.8 4,-2.9 1,-0.2 3,-0.3 0.938 110.7 50.5 -59.1 -43.7 70.4 36.1 4.8 186 56 C E H X S+ 0 0 89 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.819 103.5 57.6 -63.3 -32.8 71.5 35.0 8.3 187 57 C N H X S+ 0 0 48 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.875 112.2 43.1 -65.3 -34.7 74.6 37.3 8.1 188 58 C I H X S+ 0 0 1 -4,-1.7 4,-3.0 -3,-0.3 5,-0.2 0.964 112.4 49.7 -73.8 -54.8 72.2 40.1 7.5 189 59 C E H < S+ 0 0 85 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.910 117.1 44.6 -49.5 -45.5 69.6 39.2 10.1 190 60 C R H >< S+ 0 0 158 -4,-2.5 3,-2.6 -5,-0.2 -1,-0.2 0.952 111.2 49.6 -65.5 -53.6 72.5 38.9 12.6 191 61 C A H 3< S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.922 103.0 61.0 -52.8 -45.2 74.3 42.1 11.7 192 62 C L T 3< 0 0 53 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.625 360.0 360.0 -58.3 -5.9 71.0 43.9 12.0 193 63 C R < 0 0 238 -3,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.255 360.0 360.0 66.9 360.0 71.4 42.6 15.5