==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 20-SEP-11 3TVD . COMPND 2 MOLECULE: TRANSFORMING PROTEIN RHOA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.SWAMINATHAN,K.PAL,C.JOBICHEN . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.3 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 2 0 0 2 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 3 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 115 0, 0.0 50,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-120.2 -7.8 -37.0 -5.0 2 3 A A + 0 0 47 48,-0.1 2,-0.6 1,-0.0 50,-0.2 -0.248 360.0 19.5-155.6-107.9 -8.6 -33.5 -3.9 3 4 A I E -a 52 0A 52 48,-2.2 50,-2.5 -2,-0.1 2,-0.6 -0.739 47.4-167.4-101.1 120.4 -7.4 -30.9 -1.3 4 5 A R E +a 53 0A 148 -2,-0.6 2,-0.3 48,-0.2 50,-0.2 -0.892 15.9 173.1-110.4 112.4 -4.1 -31.2 0.4 5 6 A K E -a 54 0A 34 48,-1.8 50,-2.6 -2,-0.6 2,-0.6 -0.870 25.1-134.8-124.1 150.5 -3.6 -28.9 3.5 6 7 A K E -a 55 0A 26 -2,-0.3 71,-3.0 69,-0.3 72,-1.8 -0.907 17.1-168.6-113.1 118.1 -0.9 -28.6 6.1 7 8 A L E -ab 56 78A 0 48,-1.9 50,-2.4 -2,-0.6 2,-0.4 -0.886 0.9-166.9-107.7 127.6 -1.8 -28.2 9.8 8 9 A V E -ab 57 79A 0 70,-2.1 72,-3.0 -2,-0.5 2,-0.5 -0.941 6.8-155.8-112.1 135.5 0.8 -27.2 12.4 9 10 A I E + b 0 80A 0 48,-2.3 2,-0.3 -2,-0.4 50,-0.3 -0.932 17.7 170.6-115.2 129.4 0.0 -27.6 16.1 10 11 A V E + b 0 81A 0 70,-2.7 72,-2.7 -2,-0.5 2,-0.3 -0.897 11.7 115.3-132.3 162.4 1.8 -25.5 18.8 11 12 A G E - b 0 82A 2 -2,-0.3 72,-0.2 70,-0.2 3,-0.1 -0.872 57.6 -45.2 159.5 173.2 1.4 -24.9 22.5 12 13 A D S > S- 0 0 29 70,-0.6 3,-1.4 -2,-0.3 5,-0.3 -0.114 74.2 -75.6 -58.3 158.2 2.9 -25.1 26.0 13 14 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 48,-0.1 47,-0.1 -0.265 111.9 3.0 -57.2 137.6 4.5 -28.3 27.2 14 15 A A T 3 S+ 0 0 80 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.724 84.5 128.3 59.1 24.4 2.2 -31.2 28.2 15 16 A C S < S- 0 0 2 -3,-1.4 101,-0.3 67,-0.1 68,-0.2 0.421 87.6 -99.7 -87.3 2.0 -0.9 -29.3 27.2 16 17 A G S > S+ 0 0 19 -4,-0.1 4,-2.7 100,-0.1 5,-0.2 0.589 78.7 137.1 100.2 13.8 -1.7 -32.4 25.1 17 18 A K H > S+ 0 0 13 -5,-0.3 4,-2.2 2,-0.2 5,-0.1 0.935 77.1 41.7 -56.4 -55.1 -0.7 -31.5 21.6 18 19 A T H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 115.4 50.7 -63.6 -43.6 1.0 -34.9 20.7 19 20 A C H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.947 109.0 52.8 -55.9 -50.5 -1.8 -36.9 22.3 20 21 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.913 106.8 50.7 -53.3 -51.8 -4.4 -34.9 20.4 21 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.942 111.2 50.2 -50.6 -49.9 -2.8 -35.6 17.1 22 23 A I H X>S+ 0 0 15 -4,-2.0 4,-3.5 1,-0.2 5,-1.1 0.891 106.2 51.6 -61.4 -47.1 -2.7 -39.3 17.8 23 24 A V H X5S+ 0 0 5 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.915 113.2 48.9 -56.4 -41.1 -6.3 -39.8 18.9 24 25 A F H <5S+ 0 0 20 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.853 124.9 26.9 -67.4 -35.8 -7.2 -38.1 15.6 25 26 A S H <5S+ 0 0 12 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.890 130.6 34.0 -94.3 -49.2 -5.0 -40.2 13.4 26 27 A K H <5S- 0 0 129 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.645 100.1-131.9 -88.8 -17.9 -4.6 -43.5 15.2 27 28 A D S < -C 50 0A 3 3,-1.9 3,-0.8 -2,-0.6 -2,-0.0 -0.973 66.8 -11.0-131.3 118.9 -15.4 -31.9 5.5 48 49 A D T 3 S- 0 0 110 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.897 127.8 -53.4 62.3 44.2 -18.2 -30.0 3.7 49 50 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.572 114.7 117.8 69.4 9.6 -18.3 -32.5 0.8 50 51 A K E < - C 0 47A 110 -3,-0.8 -3,-1.9 -48,-0.0 2,-0.6 -0.874 61.9-135.9-109.8 142.4 -14.6 -32.0 0.2 51 52 A Q E - C 0 46A 83 -2,-0.4 -48,-2.2 -5,-0.2 2,-0.4 -0.847 30.2-172.2 -97.3 117.2 -12.0 -34.7 0.5 52 53 A V E -aC 3 45A 0 -7,-2.9 -7,-1.9 -2,-0.6 2,-0.8 -0.910 27.4-153.0-119.6 136.2 -8.9 -33.5 2.4 53 54 A E E -aC 4 44A 55 -50,-2.5 -48,-1.8 -2,-0.4 2,-0.6 -0.912 25.2-162.9 -98.6 103.7 -5.5 -34.9 3.1 54 55 A L E -aC 5 43A 0 -11,-3.5 -11,-4.0 -2,-0.8 2,-0.7 -0.801 4.1-152.6 -93.3 120.8 -4.6 -33.1 6.3 55 56 A A E -aC 6 42A 21 -50,-2.6 -48,-1.9 -2,-0.6 2,-0.5 -0.843 10.4-146.5-102.5 111.3 -0.9 -33.3 7.1 56 57 A L E -a 7 0A 0 -15,-3.4 2,-0.6 -2,-0.7 -15,-0.4 -0.617 13.2-171.3 -88.3 121.9 -0.2 -33.1 10.9 57 58 A W E -a 8 0A 74 -50,-2.4 -48,-2.3 -2,-0.5 2,-0.1 -0.913 8.8-157.5-112.8 108.2 3.0 -31.4 12.1 58 59 A D - 0 0 14 -20,-0.7 2,-0.3 -2,-0.6 -48,-0.1 -0.455 11.8-171.0 -79.3 155.0 3.8 -31.7 15.8 59 60 A T - 0 0 5 -50,-0.3 2,-0.3 -23,-0.1 -21,-0.1 -0.904 7.3-172.2-136.5 168.7 6.0 -29.2 17.6 60 61 A A - 0 0 7 5,-0.5 9,-0.2 -2,-0.3 3,-0.1 -0.956 17.8-157.4-151.5 172.3 7.8 -28.8 21.0 61 62 A G + 0 0 33 -2,-0.3 -48,-0.1 1,-0.2 3,-0.1 -0.209 59.6 97.1-150.6 51.1 9.7 -26.3 23.0 62 63 A Q S S- 0 0 111 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.291 97.8 -52.9 175.9 89.5 11.9 -28.1 25.6 63 64 A E S >> S+ 0 0 149 -3,-0.1 3,-3.3 -2,-0.0 4,-0.5 -0.707 122.2 30.1-122.1 -48.3 14.4 -28.3 24.5 64 65 A D H >> S+ 0 0 111 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.833 116.5 58.4 -29.3 -51.0 15.8 -29.6 21.3 65 66 A Y H 3> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 -5,-0.5 0.461 81.8 79.8 -81.1 -3.5 12.6 -28.7 19.5 66 67 A D H <4 S+ 0 0 47 -3,-3.3 -1,-0.3 1,-0.2 3,-0.3 0.983 101.8 41.0 -52.5 -55.9 12.8 -25.0 20.3 67 68 A R H << S+ 0 0 122 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.770 118.3 45.4 -66.1 -31.2 15.3 -24.7 17.5 68 69 A L H >< S+ 0 0 85 -4,-0.6 3,-1.7 1,-0.1 4,-0.5 0.703 93.1 79.9 -91.2 -22.4 13.5 -27.0 15.1 69 70 A R G >< S+ 0 0 3 -4,-1.8 3,-3.5 1,-0.3 4,-0.5 0.952 85.6 56.9 -49.6 -59.5 10.0 -25.6 15.6 70 71 A P G 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.621 99.2 64.8 -55.7 -9.3 10.3 -22.6 13.3 71 72 A L G < S+ 0 0 94 -3,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.677 95.1 56.2 -85.5 -18.4 11.2 -25.0 10.5 72 73 A S S < S+ 0 0 22 -3,-3.5 -1,-0.2 -4,-0.5 -3,-0.1 0.455 95.4 73.3 -88.0 -2.9 7.8 -26.6 10.6 73 74 A Y > + 0 0 0 -4,-0.5 3,-1.7 -3,-0.3 -2,-0.1 0.955 66.6 88.5 -75.6 -52.2 6.1 -23.3 9.9 74 75 A P T 3 S+ 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.596 95.2 27.0 -25.4 -78.5 6.7 -22.3 6.3 75 76 A D T 3 S+ 0 0 137 31,-0.0 -69,-0.3 2,-0.0 2,-0.1 0.011 84.9 155.1 -87.9 33.9 3.9 -23.8 4.1 76 77 A T < - 0 0 8 -3,-1.7 -69,-0.2 -2,-0.6 3,-0.1 -0.325 25.7-179.1 -72.8 133.1 1.2 -23.9 6.8 77 78 A D S S+ 0 0 59 -71,-3.0 2,-0.3 1,-0.3 -70,-0.2 0.750 73.4 11.4 -99.4 -29.3 -2.5 -23.9 5.9 78 79 A V E -b 7 0A 0 -72,-1.8 -70,-2.1 31,-0.1 2,-0.4 -0.987 66.1-146.1-150.6 139.7 -4.0 -24.0 9.4 79 80 A I E -bd 8 111A 0 31,-3.1 33,-3.0 -2,-0.3 2,-0.8 -0.886 2.9-156.9-107.4 135.3 -2.7 -23.5 12.9 80 81 A L E -bd 9 112A 0 -72,-3.0 -70,-2.7 -2,-0.4 2,-0.6 -0.889 13.8-170.6-102.7 98.4 -3.8 -25.3 16.0 81 82 A M E -bd 10 113A 0 31,-2.1 33,-3.0 -2,-0.8 2,-0.3 -0.817 19.5-167.3 -84.2 121.1 -2.7 -23.0 18.8 82 83 A C E +bd 11 114A 0 -72,-2.7 -70,-0.6 -2,-0.6 2,-0.3 -0.799 24.5 165.0-115.8 154.7 -3.4 -25.1 22.0 83 84 A F E - d 0 115A 0 31,-2.4 33,-3.0 -2,-0.3 2,-0.5 -0.877 36.8-104.8-143.8-178.8 -3.5 -24.7 25.7 84 85 A S E > -Ed 87 116A 1 3,-0.5 3,-2.3 -2,-0.3 7,-0.3 -0.945 9.1-140.9-117.8 132.1 -4.9 -26.8 28.5 85 86 A I T 3 S+ 0 0 0 31,-2.8 53,-2.7 -2,-0.5 32,-0.1 0.799 106.4 54.2 -52.7 -30.4 -8.1 -26.3 30.4 86 87 A D T 3 S+ 0 0 37 30,-0.3 -1,-0.3 51,-0.2 3,-0.1 0.313 104.4 59.2 -92.3 9.7 -6.3 -27.4 33.6 87 88 A S B X> +E 84 0A 40 -3,-2.3 3,-1.1 1,-0.1 4,-1.0 -0.761 52.7 178.2-139.9 95.0 -3.5 -24.9 33.1 88 89 A P H 3> S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.680 85.0 66.4 -67.7 -17.7 -4.5 -21.2 33.1 89 90 A D H 3> S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -2,-0.0 0.833 96.9 53.9 -69.4 -33.8 -0.8 -20.4 32.8 90 91 A S H <4 S+ 0 0 3 -3,-1.1 4,-0.4 -6,-0.2 -1,-0.2 0.849 107.1 51.4 -68.4 -33.3 -0.9 -22.1 29.4 91 92 A L H >< S+ 0 0 16 -4,-1.0 3,-2.0 -7,-0.3 -2,-0.2 0.935 103.4 58.6 -64.9 -47.0 -3.7 -19.8 28.4 92 93 A E H 3X S+ 0 0 107 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.856 103.7 53.3 -47.5 -41.3 -1.6 -16.8 29.6 93 94 A N H 3X>S+ 0 0 36 -4,-1.4 4,-2.6 1,-0.2 5,-2.1 0.564 88.7 79.7 -78.9 -9.3 1.0 -17.7 27.0 94 95 A I H <4>S+ 0 0 0 -3,-2.0 5,-1.7 -4,-0.4 -1,-0.2 0.969 105.3 29.5 -59.7 -54.5 -1.4 -17.8 24.1 95 96 A P H 45S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.585 128.4 44.8 -82.5 -8.1 -1.4 -14.0 23.7 96 97 A E H <5S+ 0 0 112 -4,-0.5 -2,-0.2 3,-0.1 -3,-0.2 0.694 130.4 6.2-111.3 -22.9 2.2 -13.7 25.0 97 98 A K T X5S+ 0 0 35 -4,-2.6 4,-1.7 -5,-0.1 -3,-0.2 0.656 127.6 41.2-117.6 -56.6 4.2 -16.4 23.3 98 99 A W H > S+ 0 0 16 0, 0.0 4,-0.6 0, 0.0 -2,-0.2 0.902 118.0 47.1 -51.2 -41.4 3.1 -13.2 18.3 101 102 A E H >X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 3,-1.1 0.958 114.3 43.3 -64.9 -54.9 5.2 -16.1 17.2 102 103 A V H >X S+ 0 0 0 -4,-1.9 4,-4.0 1,-0.3 3,-0.5 0.974 111.9 53.8 -55.6 -54.7 2.7 -17.7 14.9 103 104 A K H 3< S+ 0 0 82 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.671 106.7 56.2 -56.0 -16.4 1.7 -14.4 13.4 104 105 A H H << S+ 0 0 72 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.918 120.8 23.9 -82.3 -47.1 5.4 -13.8 12.7 105 106 A F H << S+ 0 0 37 -4,-1.8 -2,-0.2 -3,-0.5 -3,-0.2 0.837 137.6 29.2 -86.5 -35.3 6.0 -16.9 10.6 106 107 A C S >< S+ 0 0 3 -4,-4.0 3,-0.8 -5,-0.3 -1,-0.2 -0.583 71.6 164.9-131.5 69.9 2.5 -17.5 9.5 107 108 A P T 3 S+ 0 0 52 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.488 72.7 29.2 -75.9 159.2 0.5 -14.3 9.2 108 109 A N T 3 S+ 0 0 156 1,-0.2 -5,-0.0 -2,-0.1 -2,-0.0 0.407 94.1 127.0 68.8 -2.9 -2.8 -14.6 7.2 109 110 A V < - 0 0 24 -3,-0.8 -1,-0.2 -7,-0.1 -31,-0.1 -0.774 68.0-111.5 -93.7 126.6 -2.9 -18.2 8.4 110 111 A P - 0 0 37 0, 0.0 -31,-3.1 0, 0.0 2,-0.5 -0.262 32.3-154.8 -59.7 131.9 -6.1 -19.4 10.1 111 112 A I E -d 79 0A 7 40,-0.3 42,-1.7 -33,-0.2 43,-1.0 -0.927 9.6-161.8-111.8 133.1 -5.8 -20.1 13.8 112 113 A I E -df 80 154A 0 -33,-3.0 -31,-2.1 -2,-0.5 2,-0.7 -0.960 15.2-144.9-104.2 127.1 -7.9 -22.4 15.9 113 114 A L E -df 81 155A 0 41,-2.3 43,-2.6 -2,-0.5 2,-0.5 -0.835 23.7-172.3 -89.7 117.0 -7.6 -21.9 19.6 114 115 A V E -df 82 156A 0 -33,-3.0 -31,-2.4 -2,-0.7 2,-0.6 -0.916 18.0-162.4-116.1 131.1 -7.9 -25.2 21.3 115 116 A G E -df 83 157A 0 41,-2.2 43,-1.9 -2,-0.5 -31,-0.3 -0.953 21.3-167.9-109.6 114.3 -8.2 -26.0 25.0 116 117 A N E +d 84 0A 4 -33,-3.0 -31,-2.8 -2,-0.6 -30,-0.3 -0.181 59.0 52.2 -89.0-176.9 -7.3 -29.6 25.7 117 118 A K > + 0 0 59 -33,-0.2 3,-1.8 -32,-0.1 42,-0.2 0.880 59.2 161.4 58.5 37.7 -7.7 -31.8 28.8 118 119 A K G > + 0 0 48 40,-1.9 3,-2.0 1,-0.3 4,-0.3 0.860 64.8 68.6 -57.2 -35.4 -11.4 -30.8 28.9 119 120 A D G 3 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.691 89.7 65.3 -57.8 -19.5 -12.1 -33.9 31.1 120 121 A L G < S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.332 72.7 93.3 -91.8 7.8 -10.1 -32.2 33.9 121 122 A R S < S+ 0 0 19 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.931 101.9 22.3 -64.9 -46.7 -12.5 -29.3 34.4 122 123 A N S S+ 0 0 124 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 0.245 88.5 127.2-108.8 10.6 -14.4 -31.0 37.2 123 124 A D > - 0 0 68 1,-0.2 4,-2.3 -4,-0.1 5,-0.2 -0.583 54.4-146.7 -65.8 124.5 -11.7 -33.5 38.2 124 125 A E H > S+ 0 0 156 -2,-0.4 4,-1.6 2,-0.2 5,-0.2 0.865 96.3 53.9 -67.6 -41.0 -11.5 -32.9 42.0 125 126 A H H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 112.2 47.5 -52.7 -48.6 -7.7 -33.5 42.2 126 127 A T H > S+ 0 0 11 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.918 108.2 52.4 -61.2 -48.5 -7.3 -30.9 39.5 127 128 A R H X S+ 0 0 82 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.789 114.2 44.8 -61.8 -28.6 -9.5 -28.3 41.1 128 129 A R H X S+ 0 0 134 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.870 107.4 53.0 -85.4 -43.2 -7.6 -28.6 44.4 129 130 A E H X S+ 0 0 71 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.714 115.7 46.3 -64.4 -19.6 -4.0 -28.6 43.0 130 131 A L H <>S+ 0 0 19 -4,-1.2 5,-2.7 -5,-0.2 -2,-0.2 0.857 107.8 51.9 -88.5 -43.0 -5.0 -25.4 41.2 131 132 A A H ><5S+ 0 0 59 -4,-1.4 3,-2.1 3,-0.3 -2,-0.2 0.806 99.1 69.1 -65.7 -30.3 -6.7 -23.7 44.2 132 133 A K H 3<5S+ 0 0 130 -4,-2.0 2,-0.2 1,-0.3 -1,-0.2 0.979 106.4 36.8 -44.6 -67.3 -3.6 -24.3 46.2 133 134 A M T 3<5S- 0 0 127 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 -0.080 131.3 -98.1 -80.9 34.3 -1.7 -21.8 44.0 134 135 A K T < 5S+ 0 0 197 -3,-2.1 2,-0.3 -2,-0.2 -3,-0.3 0.807 85.1 119.7 58.5 41.4 -4.9 -19.7 44.0 135 136 A Q < - 0 0 55 -5,-2.7 -1,-0.2 -8,-0.1 -5,-0.1 -0.901 44.2-158.2-132.6 158.1 -6.2 -20.8 40.6 136 137 A E - 0 0 106 -2,-0.3 3,-0.1 -6,-0.1 -9,-0.1 -0.901 40.8 -80.7-127.0 163.1 -9.2 -22.6 39.0 137 138 A P - 0 0 1 0, 0.0 -51,-0.2 0, 0.0 -52,-0.1 -0.282 60.6 -88.1 -57.2 143.8 -9.6 -24.5 35.7 138 139 A V - 0 0 1 -53,-2.7 -53,-0.0 -54,-0.2 -23,-0.0 -0.297 41.4-131.1 -56.7 131.7 -10.2 -22.3 32.6 139 140 A K > - 0 0 58 1,-0.1 4,-1.2 -3,-0.1 5,-0.1 -0.582 14.8-122.6 -82.0 150.3 -13.8 -21.5 31.9 140 141 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.854 112.4 57.2 -59.6 -36.8 -15.2 -22.0 28.4 141 142 A E H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.956 105.9 47.1 -57.2 -53.3 -16.2 -18.3 28.3 142 143 A E H > S+ 0 0 82 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.688 110.9 53.4 -69.2 -18.8 -12.6 -17.1 28.9 143 144 A G H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.909 113.4 41.2 -75.5 -46.9 -11.3 -19.5 26.3 144 145 A R H X S+ 0 0 119 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.793 112.5 55.6 -69.7 -32.5 -13.8 -18.2 23.6 145 146 A D H X S+ 0 0 108 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.895 110.6 46.6 -63.5 -38.7 -13.1 -14.6 24.9 146 147 A M H X S+ 0 0 11 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.835 107.3 54.8 -74.5 -36.2 -9.4 -15.3 24.2 147 148 A A H X>S+ 0 0 1 -4,-1.8 5,-2.4 1,-0.2 4,-0.8 0.920 109.8 48.9 -61.1 -44.4 -9.9 -16.8 20.8 148 149 A N H <5S+ 0 0 126 -4,-1.9 3,-0.2 3,-0.2 -2,-0.2 0.848 108.9 53.6 -63.9 -34.9 -11.8 -13.6 19.8 149 150 A R H <5S+ 0 0 171 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.960 110.2 44.6 -62.5 -52.8 -9.0 -11.5 21.2 150 151 A I H <5S- 0 0 29 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.556 116.8-112.1 -74.6 -7.4 -6.2 -13.1 19.2 151 152 A G T <5 + 0 0 59 -4,-0.8 -40,-0.3 -3,-0.2 2,-0.3 0.941 53.6 174.6 76.7 50.0 -8.4 -13.1 16.0 152 153 A A < - 0 0 19 -5,-2.4 -1,-0.2 1,-0.1 -40,-0.2 -0.677 43.7-126.4 -93.0 143.6 -8.9 -16.8 15.7 153 154 A F S S- 0 0 87 -42,-1.7 2,-0.3 -2,-0.3 -41,-0.2 0.874 86.0 -37.2 -47.8 -43.7 -11.1 -18.6 13.2 154 155 A G E -f 112 0A 17 -43,-1.0 -41,-2.3 -7,-0.1 2,-0.4 -0.949 55.0-108.0-165.8-174.6 -12.7 -20.3 16.2 155 156 A Y E -f 113 0A 26 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.998 30.3-179.4-131.9 136.0 -12.4 -21.9 19.6 156 157 A M E -f 114 0A 47 -43,-2.6 -41,-2.2 -2,-0.4 2,-0.4 -0.998 13.2-154.7-139.8 140.6 -12.7 -25.5 20.4 157 158 A E E +f 115 0A 35 -2,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.885 24.0 158.9-112.0 145.9 -12.6 -27.7 23.5 158 159 A C - 0 0 0 -43,-1.9 -40,-1.9 -2,-0.4 2,-0.4 -0.995 34.6-144.9-158.4 158.0 -11.6 -31.3 23.6 159 160 A S B > -G 164 0B 0 5,-2.4 5,-0.7 -2,-0.3 4,-0.3 -0.961 6.4-170.5-126.6 112.9 -10.4 -34.2 25.7 160 161 A A T 5S+ 0 0 9 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.791 89.6 61.2 -69.5 -26.1 -8.1 -36.6 23.8 161 162 A K T 5S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.1 -132,-0.2 0.934 116.3 29.6 -63.2 -46.7 -8.4 -38.9 26.9 162 163 A T T 5S- 0 0 72 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.349 104.5-130.2 -95.9 4.1 -12.1 -39.2 26.5 163 164 A K T > 5 + 0 0 96 -4,-0.3 3,-0.9 1,-0.2 4,-0.4 0.470 59.6 144.9 61.6 0.9 -11.9 -38.8 22.7 164 165 A D B 3 < +G 159 0B 94 -5,-0.7 -5,-2.4 1,-0.2 -1,-0.2 -0.578 65.2 1.4 -82.5 125.1 -14.6 -36.1 23.1 165 166 A G T 3> S+ 0 0 11 -2,-0.4 4,-1.1 -7,-0.2 -1,-0.2 0.444 94.7 114.6 88.1 1.8 -14.5 -33.1 20.8 166 167 A V H <> S+ 0 0 6 -3,-0.9 4,-1.3 -7,-0.3 3,-0.4 0.942 74.2 47.7 -72.0 -49.8 -11.5 -34.2 18.9 167 168 A R H >> S+ 0 0 117 -4,-0.4 4,-1.2 1,-0.2 3,-0.6 0.931 109.5 56.7 -55.0 -44.9 -13.0 -34.7 15.5 168 169 A E H 3> S+ 0 0 86 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.834 101.1 56.8 -55.5 -38.5 -14.7 -31.3 15.8 169 170 A V H 3X S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.4 -1,-0.3 0.890 110.6 44.3 -59.9 -38.9 -11.3 -29.6 16.4 170 171 A F H S- 0 0 28 70,-0.6 3,-1.3 -2,-0.2 5,-0.3 -0.090 74.4 -74.8 -59.1 161.0 22.5 -5.4 13.2 194 14 B G T 3 S+ 0 0 54 1,-0.2 -1,-0.1 48,-0.2 47,-0.1 -0.294 112.3 2.9 -60.3 139.0 25.4 -7.7 12.3 195 15 B A T 3 S+ 0 0 82 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.718 84.1 128.6 58.5 24.1 28.8 -6.8 13.7 196 16 B C S < S- 0 0 3 -3,-1.3 101,-0.3 67,-0.1 68,-0.1 0.410 87.6 -99.6 -87.7 2.8 27.5 -3.9 15.8 197 17 B G S > S+ 0 0 15 -4,-0.1 4,-2.6 100,-0.1 5,-0.2 0.606 77.2 139.5 100.5 15.2 29.2 -5.6 18.7 198 18 B K H > S+ 0 0 14 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.938 76.6 40.4 -58.2 -54.3 26.4 -7.4 20.5 199 19 B T H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 113.3 52.5 -63.0 -54.1 28.3 -10.5 21.3 200 20 B C H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.954 108.7 53.9 -42.9 -49.7 31.5 -8.8 22.2 201 21 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.937 106.0 50.3 -52.4 -54.9 29.5 -6.6 24.6 202 22 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.933 111.3 50.5 -49.3 -49.0 27.9 -9.5 26.4 203 23 B I H X>S+ 0 0 14 -4,-2.3 4,-3.1 1,-0.2 5,-1.1 0.896 106.3 51.6 -62.8 -46.6 31.3 -11.2 26.9 204 24 B V H X5S+ 0 0 6 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.914 113.1 48.3 -55.8 -42.4 33.1 -8.1 28.3 205 25 B F H <5S+ 0 0 19 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.871 124.9 28.0 -66.3 -37.9 30.3 -7.8 30.8 206 26 B S H <5S+ 0 0 13 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.912 130.3 33.0 -90.7 -52.3 30.4 -11.5 31.8 207 27 B K H <5S- 0 0 128 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.1 0.647 100.8-131.6 -86.2 -18.3 33.9 -12.8 31.3 208 28 B D S < -J 231 0C 3 3,-1.8 3,-0.7 -2,-0.7 -2,-0.0 -0.961 67.5 -9.6-129.8 118.0 21.9 -2.7 41.3 229 49 B D T 3 S- 0 0 112 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.908 127.5 -55.6 63.8 43.5 20.1 -0.4 43.7 230 50 B G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.594 114.2 118.8 66.8 10.3 20.7 -2.7 46.7 231 51 B K E < - 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0 0 8 5,-0.5 9,-0.3 -2,-0.3 2,-0.3 -0.988 16.7-150.2-157.8 158.6 21.9 -13.0 15.3 242 62 B G + 0 0 32 -2,-0.3 -48,-0.2 1,-0.2 3,-0.1 -0.691 56.0 95.9-138.3 84.0 20.6 -12.4 11.8 243 63 B Q S S- 0 0 101 -2,-0.3 -1,-0.2 -49,-0.0 2,-0.1 0.069 96.7 -50.2 146.4 97.7 22.4 -14.2 9.0 244 64 B E S >> S+ 0 0 160 -3,-0.1 3,-0.6 1,-0.0 4,-0.5 -0.900 126.2 28.4-120.4 -23.1 21.5 -16.7 8.1 245 65 B D H >> S+ 0 0 107 1,-0.2 3,-1.2 2,-0.1 4,-0.6 0.961 116.4 55.5 -59.5 -51.1 20.7 -19.5 10.6 246 66 B Y H 3> S+ 0 0 59 1,-0.3 4,-1.7 2,-0.2 -5,-0.5 0.471 85.3 79.0 -79.3 -3.6 19.8 -17.2 13.5 247 67 B D H <4 S+ 0 0 66 -3,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.977 101.7 41.1 -53.7 -54.6 17.2 -15.3 11.7 248 68 B R H << S+ 0 0 124 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.802 118.2 45.3 -67.3 -32.2 14.8 -18.2 12.2 249 69 B L H >< S+ 0 0 25 -4,-0.6 3,-1.5 1,-0.2 4,-0.4 0.694 93.2 79.6 -90.4 -20.8 15.9 -18.9 15.8 250 70 B R G >< S+ 0 0 11 -4,-1.7 3,-3.3 -9,-0.3 4,-0.4 0.945 85.5 57.2 -52.2 -57.1 15.9 -15.3 17.1 251 71 B P G 3 S+ 0 0 3 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.641 99.3 65.0 -55.0 -11.4 12.2 -15.0 17.6 252 72 B L G < S+ 0 0 17 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.654 94.5 56.3 -83.8 -18.7 12.5 -18.0 19.9 253 73 B S S < S+ 0 0 17 -3,-3.3 -1,-0.2 -4,-0.4 -3,-0.1 0.469 95.7 73.9 -89.3 -2.9 14.7 -16.1 22.4 254 74 B Y > + 0 0 1 -4,-0.4 3,-1.7 -3,-0.4 -2,-0.1 0.954 65.7 87.8 -74.8 -53.2 12.0 -13.5 22.9 255 75 B P T 3 S+ 0 0 30 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.601 95.6 26.9 -25.0 -79.4 9.2 -15.0 24.9 256 76 B D T 3 S+ 0 0 112 31,-0.0 -69,-0.3 2,-0.0 2,-0.1 0.001 84.8 154.8 -87.1 33.7 9.9 -14.4 28.6 257 77 B T < - 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