==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTO-ONCOGENE 13-MAR-97 1FTN . COMPND 2 MOLECULE: TRANSFORMING PROTEIN RHOA (H12); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WEI,Y.ZHANG,U.DEREWENDA,X.LIU,W.MINOR,R.K.NAKAMOTO, . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 2 1 1 1 0 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 1 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 I 0 0 97 0, 0.0 50,-4.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -40.4 -0.5 -0.3 25.1 2 5 A R E +a 51 0A 193 48,-0.2 2,-0.3 50,-0.1 50,-0.2 -0.973 360.0 165.4-103.2 119.4 2.3 -2.3 23.7 3 6 A K E -a 52 0A 55 48,-2.9 50,-3.0 -2,-0.6 2,-0.4 -0.846 28.5-136.7-132.5 150.2 1.9 -3.1 20.0 4 7 A K E -a 53 0A 20 -2,-0.3 71,-1.9 48,-0.2 72,-1.3 -0.946 16.1-170.4-114.3 122.0 4.1 -4.4 17.1 5 8 A L E -ab 54 76A 0 48,-2.3 50,-2.7 -2,-0.4 2,-0.4 -0.989 2.4-166.6-108.6 137.0 4.1 -2.9 13.5 6 9 A V E -ab 55 77A 0 70,-1.8 72,-2.3 -2,-0.4 2,-0.4 -0.971 7.2-155.6-119.7 131.4 5.8 -4.5 10.5 7 10 A I E + b 0 78A 0 48,-2.5 50,-0.4 -2,-0.4 2,-0.3 -0.906 20.4 168.4-113.3 132.9 6.3 -2.5 7.3 8 11 A V E + b 0 79A 0 70,-2.3 72,-2.2 -2,-0.4 2,-0.2 -0.950 13.4 106.5-134.0 159.8 6.7 -4.3 4.0 9 12 A G E - b 0 80A 4 -2,-0.3 72,-0.2 70,-0.2 3,-0.1 -0.734 65.2 -31.9 149.7 175.8 6.8 -3.5 0.3 10 13 A D S > S- 0 0 27 70,-0.5 3,-1.8 78,-0.2 5,-0.3 0.010 73.5 -85.3 -55.1 148.4 9.2 -3.3 -2.8 11 14 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.1 2,-0.1 47,-0.1 -0.244 112.8 12.8 -48.9 132.8 12.8 -2.1 -2.4 12 15 A A T 3 S+ 0 0 82 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.537 82.7 124.8 76.5 7.6 13.1 1.7 -2.5 13 16 A C S < S- 0 0 1 -3,-1.8 101,-0.2 -4,-0.1 -2,-0.1 0.557 89.1 -98.5 -77.5 2.2 9.4 2.4 -2.1 14 17 A G S > S+ 0 0 18 -4,-0.2 4,-2.0 -5,-0.1 5,-0.2 0.624 77.6 138.1 99.3 15.9 10.3 4.6 0.9 15 18 A K H > S+ 0 0 10 -5,-0.3 4,-2.0 2,-0.2 5,-0.1 0.902 75.8 44.3 -56.2 -52.9 9.6 2.3 4.0 16 19 A T H > S+ 0 0 15 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.930 113.0 50.8 -66.9 -42.0 12.7 3.3 6.0 17 20 A C H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 108.6 53.3 -62.4 -34.2 12.3 7.0 5.3 18 21 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.904 111.1 45.1 -65.6 -50.2 8.7 6.8 6.5 19 22 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.948 113.1 51.0 -61.9 -41.3 9.7 5.2 9.7 20 23 A I H X>S+ 0 0 13 -4,-3.2 4,-3.5 1,-0.2 6,-0.5 0.920 111.5 47.8 -60.2 -45.0 12.6 7.7 10.2 21 24 A V H X5S+ 0 0 4 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.925 111.0 50.0 -61.3 -45.6 10.3 10.6 9.7 22 25 A N H <5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 120.8 37.4 -57.5 -31.9 7.6 9.2 12.1 23 26 A S H <5S+ 0 0 18 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 130.8 20.4 -95.2 -42.3 10.3 8.8 14.7 24 27 A K H <5S- 0 0 125 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.482 93.4-124.9-113.7 -5.0 12.7 11.6 14.5 25 28 A D S < + 0 0 9 -2,-0.2 4,-1.2 5,-0.0 5,-0.2 -0.064 25.7 151.7-146.9 -93.6 14.8 -7.3 0.0 60 63 A Q T 4 S- 0 0 110 2,-0.1 2,-0.7 -2,-0.1 3,-0.1 0.831 95.6 -76.0 51.9 24.7 17.4 -6.1 -2.4 61 64 A E T >4 S+ 0 0 129 1,-0.2 3,-2.2 2,-0.1 4,-0.1 -0.674 128.1 48.5 74.7-114.5 17.4 -9.9 -2.7 62 65 A D G >4 S+ 0 0 132 -2,-0.7 3,-4.5 1,-0.3 4,-0.3 0.477 94.3 71.0 -51.3 -25.9 19.1 -11.6 0.1 63 66 A Y G 3X S+ 0 0 102 -4,-1.2 4,-1.2 1,-0.4 -5,-0.4 0.450 84.1 82.2 -50.6 -7.4 17.4 -9.7 3.1 64 67 A D G X4 S+ 0 0 50 -3,-2.2 3,-0.5 -5,-0.2 -1,-0.4 0.940 80.1 59.9 -60.6 -35.7 14.7 -11.8 1.7 65 68 A R T <4 S+ 0 0 219 -3,-4.5 -2,-0.2 1,-0.3 4,-0.2 0.785 110.5 37.8 -79.1 -26.6 16.1 -14.6 3.8 66 69 A L T >4 S+ 0 0 102 -4,-0.3 3,-1.4 1,-0.2 4,-0.4 0.697 91.1 88.1 -89.8 -23.1 15.6 -12.8 7.2 67 70 A R G X< S+ 0 0 12 -4,-1.2 3,-2.2 -3,-0.5 4,-0.3 0.805 76.7 66.0 -52.4 -48.6 12.3 -11.1 6.6 68 71 A P G > S+ 0 0 44 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 0.876 92.0 64.3 -36.3 -43.5 10.2 -14.1 7.8 69 72 A L G < S+ 0 0 106 -3,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.690 92.1 67.7 -58.4 -16.5 11.6 -13.6 11.3 70 73 A S G < S+ 0 0 14 -3,-2.2 -1,-0.3 -4,-0.4 -3,-0.1 0.779 88.4 64.3 -77.1 -23.5 9.9 -10.2 11.4 71 74 A Y X + 0 0 6 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.2 0.678 62.9 112.3 -87.4 -18.1 6.3 -11.4 11.4 72 75 A P T 3 S- 0 0 71 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.330 94.2 -0.3 -49.6 133.6 5.8 -13.3 14.8 73 76 A D T 3 S+ 0 0 144 1,-0.2 2,-0.3 2,-0.1 -69,-0.2 0.749 86.0 163.4 69.3 21.7 3.3 -11.4 17.0 74 77 A T < - 0 0 10 -3,-1.5 -1,-0.2 1,-0.1 -69,-0.2 -0.644 25.3-167.3 -76.6 148.0 2.7 -8.4 14.7 75 78 A D S S+ 0 0 46 -71,-1.9 2,-0.3 -2,-0.3 -70,-0.2 0.688 71.5 9.2 -94.4 -23.1 -0.4 -6.3 15.5 76 79 A V E -b 5 0A 0 -72,-1.3 -70,-1.8 31,-0.2 2,-0.4 -0.977 61.6-147.8-160.3 141.6 -0.6 -4.3 12.3 77 80 A I E -bd 6 109A 0 31,-2.3 33,-2.7 -2,-0.3 2,-0.6 -0.974 3.8-155.8-111.4 133.4 1.1 -4.3 8.8 78 81 A L E -bd 7 110A 0 -72,-2.3 -70,-2.3 -2,-0.4 2,-0.6 -0.973 16.1-165.0-101.7 124.2 1.8 -1.2 6.8 79 82 A M E -bd 8 111A 0 31,-2.5 33,-3.2 -2,-0.6 2,-0.3 -0.963 15.8-166.0-114.4 110.4 2.0 -2.5 3.2 80 83 A C E +bd 9 112A 1 -72,-2.2 -70,-0.5 -2,-0.6 2,-0.3 -0.796 27.0 163.9-105.1 147.7 3.6 0.1 1.0 81 84 A F E - d 0 113A 0 31,-2.1 33,-2.7 -2,-0.3 2,-0.4 -0.864 39.7-109.7-137.3 177.8 4.1 1.0 -2.7 82 85 A S E > - d 0 114A 4 3,-0.4 3,-1.9 -2,-0.3 7,-0.2 -0.936 10.7-135.4-114.1 145.9 5.2 4.4 -4.0 83 86 A I T 3 S+ 0 0 0 31,-2.7 53,-2.2 -2,-0.4 32,-0.1 0.699 106.4 61.4 -70.9 -16.3 2.9 6.6 -6.0 84 87 A D T 3 S+ 0 0 42 30,-0.3 -1,-0.3 51,-0.2 3,-0.2 0.350 100.1 63.6 -88.1 12.1 5.7 7.2 -8.5 85 88 A S <> + 0 0 32 -3,-1.9 4,-1.4 1,-0.2 3,-0.4 -0.666 48.2 178.9-147.7 89.0 5.8 3.5 -9.3 86 89 A P H > S+ 0 0 34 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.877 91.6 61.7 -46.2 -37.2 2.9 1.7 -11.0 87 90 A D H > S+ 0 0 106 1,-0.3 4,-1.5 2,-0.2 3,-0.1 0.917 98.9 53.5 -61.7 -45.6 5.3 -1.4 -10.8 88 91 A S H 4 S+ 0 0 2 -3,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.843 106.6 53.2 -58.7 -37.7 5.4 -1.2 -7.0 89 92 A L H >< S+ 0 0 12 -4,-1.4 3,-1.9 -3,-0.4 -1,-0.2 0.910 103.7 54.2 -68.0 -38.7 1.6 -1.2 -6.9 90 93 A E H 3X S+ 0 0 102 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.858 101.0 61.8 -67.0 -26.1 1.2 -4.4 -9.0 91 94 A N H 3X>S+ 0 0 51 -4,-1.5 4,-2.1 -5,-0.2 5,-2.0 0.646 88.4 75.4 -67.7 -21.2 3.6 -6.1 -6.5 92 95 A I H <4>S+ 0 0 0 -3,-1.9 5,-2.7 -4,-0.3 -1,-0.2 0.993 109.6 23.5 -56.0 -58.4 0.9 -5.5 -3.8 93 96 A P H 45S+ 0 0 24 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.863 127.6 52.4 -79.1 -21.8 -1.5 -8.3 -4.9 94 97 A E H <5S- 0 0 133 -4,-1.7 -2,-0.2 3,-0.1 -3,-0.2 0.811 130.7 -4.2 -85.6 -41.8 1.3 -10.2 -6.6 95 98 A K T X5S+ 0 0 80 -4,-2.1 4,-1.8 -5,-0.2 -3,-0.2 0.660 127.5 45.7-111.1 -56.7 3.9 -10.5 -3.9 96 99 A W H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.862 115.3 52.5 -67.1 -38.5 0.3 -13.5 -0.3 99 102 A E H X S+ 0 0 33 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.979 114.8 40.2 -61.8 -49.4 3.5 -13.2 1.7 100 103 A V H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 7,-0.2 0.884 113.1 52.7 -72.7 -32.7 1.7 -11.3 4.6 101 104 A K H < S+ 0 0 91 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.952 110.7 52.0 -64.7 -37.1 -1.5 -13.5 4.5 102 105 A H H < S+ 0 0 138 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.900 121.7 27.5 -60.3 -51.9 0.8 -16.5 4.8 103 106 A F H < S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.834 135.6 27.9 -86.2 -33.2 2.7 -15.3 7.8 104 107 A C S >< S+ 0 0 7 -4,-3.3 3,-2.3 -5,-0.2 -1,-0.2 -0.465 70.4 176.0-127.9 61.7 0.1 -13.0 9.5 105 108 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.674 78.0 21.4 -41.5 -42.5 -3.3 -14.4 8.5 106 109 A N T 3 S+ 0 0 155 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 -0.014 89.2 122.0-124.5 25.2 -5.6 -12.1 10.5 107 110 A V < - 0 0 31 -3,-2.3 -31,-0.2 -7,-0.2 2,-0.1 -0.748 68.1-108.3 -89.5 135.7 -3.5 -9.1 11.2 108 111 A P - 0 0 35 0, 0.0 -31,-2.3 0, 0.0 2,-0.4 -0.458 30.5-149.0 -62.7 138.1 -4.9 -5.8 9.9 109 112 A I E -d 77 0A 5 40,-0.3 42,-3.1 -33,-0.2 43,-0.9 -0.939 9.7-162.8-107.0 126.8 -3.2 -4.2 6.8 110 113 A I E -de 78 152A 1 -33,-2.7 -31,-2.5 -2,-0.4 2,-0.5 -0.972 18.6-145.1-103.9 119.8 -3.0 -0.5 6.1 111 114 A L E -de 79 153A 0 41,-3.0 43,-2.2 -2,-0.5 2,-0.5 -0.830 20.5-164.0 -87.2 124.9 -2.1 -0.0 2.4 112 115 A V E -de 80 154A 0 -33,-3.2 -31,-2.1 -2,-0.5 2,-0.8 -0.975 18.6-155.8-118.4 131.8 0.1 3.0 2.1 113 116 A G E -de 81 155A 0 41,-2.9 43,-2.5 -2,-0.5 3,-0.3 -0.849 24.9-167.8-101.0 115.8 1.1 5.0 -1.0 114 117 A N E +d 82 0A 2 -33,-2.7 -31,-2.7 -2,-0.8 -30,-0.3 -0.328 60.5 43.3 -92.5 170.8 4.4 6.7 -0.3 115 118 A K > + 0 0 65 -33,-0.2 3,-2.6 -32,-0.1 4,-0.3 0.783 60.0 158.9 58.7 40.5 6.1 9.5 -2.2 116 119 A K G > + 0 0 46 40,-2.4 3,-1.5 -3,-0.3 4,-0.3 0.804 65.9 70.2 -64.6 -22.4 2.8 11.5 -2.7 117 120 A D G 3 S+ 0 0 44 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.661 91.7 60.0 -67.0 -21.7 5.0 14.6 -3.3 118 121 A L G X S+ 0 0 31 -3,-2.6 3,-0.9 1,-0.2 -1,-0.3 0.608 77.0 90.8 -86.1 -9.9 6.0 13.1 -6.6 119 122 A R T < S+ 0 0 59 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.900 105.0 23.0 -62.8 -34.6 2.4 12.9 -8.0 120 123 A N T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.3 0.176 94.0 129.6-110.9 15.8 2.8 16.3 -9.6 121 124 A D <> - 0 0 57 -3,-0.9 4,-3.0 1,-0.1 5,-0.2 -0.479 54.8-140.9 -72.0 136.3 6.5 16.3 -9.8 122 125 A E H > S+ 0 0 133 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.917 96.9 46.5 -68.5 -46.4 7.8 17.2 -13.2 123 126 A H H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.960 113.9 50.7 -63.8 -48.7 10.7 14.9 -13.7 124 127 A T H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.940 110.4 49.6 -49.7 -52.0 8.6 12.0 -12.4 125 128 A R H X S+ 0 0 101 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.962 113.6 45.7 -61.9 -45.8 5.8 12.8 -14.8 126 129 A R H X S+ 0 0 188 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.873 112.4 49.7 -47.5 -55.3 8.2 13.0 -17.7 127 130 A E H < S+ 0 0 91 -4,-2.8 4,-0.3 1,-0.2 3,-0.3 0.961 117.3 40.8 -56.8 -48.0 10.0 9.8 -16.8 128 131 A L H ><>S+ 0 0 18 -4,-2.7 5,-3.6 1,-0.2 3,-1.2 0.752 108.6 60.8 -71.0 -35.0 6.7 7.9 -16.5 129 132 A A H ><5S+ 0 0 56 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.891 96.6 61.4 -61.7 -35.5 5.2 9.5 -19.6 130 133 A K T 3<5S+ 0 0 146 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.734 107.9 43.2 -68.2 -15.2 8.0 8.0 -21.6 131 134 A M T < 5S- 0 0 116 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.168 121.0-108.8-107.2 9.8 6.7 4.6 -20.6 132 135 A K T < 5S+ 0 0 202 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.825 83.5 123.1 60.1 32.6 3.1 5.6 -21.2 133 136 A Q < - 0 0 68 -5,-3.6 -1,-0.2 -8,-0.1 -2,-0.2 -0.737 42.8-166.9-110.3 178.3 2.7 5.6 -17.4 134 137 A E - 0 0 83 -2,-0.3 3,-0.1 -3,-0.1 -9,-0.1 -0.932 39.8 -72.6-150.1 166.2 1.6 8.1 -14.9 135 138 A P - 0 0 5 0, 0.0 -51,-0.2 0, 0.0 -52,-0.1 -0.248 62.7 -89.5 -56.2 147.5 1.7 8.3 -11.1 136 139 A V - 0 0 1 -53,-2.2 -53,-0.1 -54,-0.2 -3,-0.0 -0.258 43.6-134.1 -52.3 136.0 -0.7 6.1 -9.1 137 140 A K >> - 0 0 75 -3,-0.1 4,-1.8 1,-0.1 3,-0.9 -0.683 16.9-117.2 -90.4 151.8 -4.1 7.7 -8.4 138 141 A P H 3> S+ 0 0 34 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.870 113.9 58.7 -55.1 -41.2 -5.9 7.7 -5.1 139 142 A E H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.803 105.2 50.1 -55.4 -39.1 -8.8 5.7 -6.6 140 143 A E H <> S+ 0 0 70 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.915 110.7 47.8 -66.2 -43.3 -6.4 2.9 -7.6 141 144 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.939 112.3 50.0 -65.8 -49.5 -4.9 2.7 -4.2 142 145 A R H X S+ 0 0 146 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.911 112.3 47.3 -51.9 -38.2 -8.3 2.6 -2.6 143 146 A D H X S+ 0 0 97 -4,-2.1 4,-3.1 -5,-0.2 -2,-0.2 0.922 110.2 51.0 -77.7 -32.1 -9.5 -0.1 -4.9 144 147 A M H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 6,-0.3 0.949 109.9 51.8 -64.1 -41.2 -6.3 -2.2 -4.3 145 148 A A H X>S+ 0 0 3 -4,-2.5 5,-2.7 1,-0.2 4,-0.6 0.967 111.2 47.6 -55.6 -51.4 -7.0 -1.7 -0.6 146 149 A N H ><5S+ 0 0 119 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.965 112.2 50.4 -48.0 -54.4 -10.6 -3.0 -1.2 147 150 A R H 3<5S+ 0 0 159 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.876 112.0 43.5 -56.1 -45.3 -9.3 -5.9 -3.2 148 151 A I H 3<5S- 0 0 13 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.446 113.9-110.1 -89.5 3.0 -6.8 -7.2 -0.8 149 152 A G T <<5 + 0 0 54 -3,-1.3 -40,-0.3 -4,-0.6 -3,-0.2 0.796 55.9 171.9 85.0 20.4 -9.0 -6.8 2.3 150 153 A A < - 0 0 18 -5,-2.7 -40,-0.2 -6,-0.3 -1,-0.1 -0.272 43.3-127.0 -67.6 156.8 -6.9 -3.9 3.7 151 154 A F S S- 0 0 87 -42,-3.1 2,-0.3 1,-0.2 -41,-0.2 0.686 83.9 -36.5 -67.2 -19.6 -8.2 -2.0 6.8 152 155 A G E -e 110 0A 26 -43,-0.9 -41,-3.0 -7,-0.1 2,-0.4 -0.931 54.4-113.6 170.3 165.5 -7.7 1.2 4.7 153 156 A Y E +e 111 0A 20 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.964 33.9 175.3-116.9 130.5 -5.6 3.0 2.1 154 157 A M E -e 112 0A 37 -43,-2.2 -41,-2.9 -2,-0.4 2,-0.4 -0.963 16.5-146.6-129.6 157.4 -3.6 6.1 3.1 155 158 A E E +e 113 0A 32 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.934 23.3 161.4-117.5 150.6 -1.1 8.3 1.3 156 159 A C - 0 0 0 -43,-2.5 -40,-2.4 -2,-0.4 2,-0.4 -0.949 32.3-136.3-150.9 175.2 1.8 10.2 2.6 157 160 A S > - 0 0 0 5,-2.7 4,-1.5 -2,-0.3 7,-0.3 -0.897 5.9-171.6-128.5 103.3 5.1 11.9 1.8 158 161 A A T 4 S+ 0 0 9 -2,-0.4 -131,-0.1 2,-0.2 -1,-0.1 0.876 89.5 62.6 -53.0 -35.2 8.1 11.2 4.1 159 162 A K T 4 S+ 0 0 120 1,-0.3 -132,-0.2 -3,-0.1 -1,-0.2 0.900 121.3 17.4 -65.5 -43.6 9.8 14.0 2.1 160 163 A T T 4 S- 0 0 87 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.382 102.4-124.6-102.2 -10.4 7.4 16.8 3.0 161 164 A K >X + 0 0 83 -4,-1.5 3,-2.0 1,-0.3 4,-0.6 0.239 56.6 152.9 81.0 -1.2 6.0 14.9 6.0 162 165 A D T 34 S- 0 0 88 1,-0.3 -5,-2.7 -5,-0.1 -1,-0.3 -0.335 71.5 -0.7 -64.5 127.6 2.4 15.3 4.7 163 166 A G T 3> S+ 0 0 14 -7,-0.2 4,-1.4 -3,-0.1 -1,-0.3 0.233 98.5 112.5 83.9 -6.7 0.2 12.5 5.9 164 167 A V H <> S+ 0 0 4 -3,-2.0 4,-1.7 -7,-0.3 5,-0.2 0.929 74.0 51.3 -66.2 -48.1 2.9 10.7 7.9 165 168 A R H X S+ 0 0 91 -4,-0.6 4,-1.8 1,-0.2 3,-0.2 0.942 108.9 52.0 -51.6 -46.4 1.4 11.3 11.3 166 169 A E H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.830 102.2 60.3 -67.3 -28.6 -2.0 10.0 10.2 167 170 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.964 109.0 42.5 -59.9 -47.9 -0.5 6.8 8.9 168 171 A F H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.2 0.834 112.4 54.0 -76.1 -32.0 0.9 5.8 12.3 169 172 A E H X S+ 0 0 43 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.969 111.6 44.3 -64.7 -50.7 -2.3 6.9 14.1 170 173 A M H X S+ 0 0 58 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 112.6 52.4 -57.2 -41.0 -4.5 4.7 11.9 171 174 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.885 109.6 50.1 -63.0 -32.8 -2.0 1.8 12.2 172 175 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.944 109.0 50.4 -70.9 -42.1 -2.2 2.2 16.0 173 176 A R H >X S+ 0 0 89 -4,-2.6 3,-1.1 1,-0.2 4,-0.8 0.981 111.4 50.0 -56.1 -49.4 -5.9 2.2 15.9 174 177 A A H >< S+ 0 0 1 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.849 109.2 50.2 -56.3 -42.7 -5.8 -1.0 13.8 175 178 A A H 3< S+ 0 0 8 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.771 105.1 57.7 -69.6 -27.0 -3.4 -2.7 16.2 176 179 A L H << 0 0 66 -4,-1.7 -1,-0.2 -3,-1.1 -2,-0.2 0.636 360.0 360.0 -75.4 -16.9 -5.5 -1.9 19.2 177 180 A Q << 0 0 181 -3,-0.9 -2,-0.1 -4,-0.8 -3,-0.1 0.995 360.0 360.0 -68.3 360.0 -8.5 -3.7 17.7