==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/DNA 15-JUL-04 1U1M . COMPND 2 MOLECULE: 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*(7GU)P*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.MYERS,Y.SHAMOO . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 66.1 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 . 47 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1.1 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 19.1 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+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 0 0 1 3 1 0 0 0 0 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 1 1 2 2 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 . 2 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 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 8 A K 0 0 211 0, 0.0 56,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.3 -2.4 8.2 -166.6 2 9 A E - 0 0 77 54,-0.4 5,-0.1 1,-0.1 0, 0.0 -0.487 360.0 -82.3 -83.2 155.6 -0.2 10.0 -169.2 3 10 A P >> - 0 0 79 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.286 32.9-126.0 -59.6 139.5 2.2 12.8 -168.3 4 11 A E H >> S+ 0 0 78 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.886 109.2 58.8 -51.3 -45.8 0.6 16.3 -168.0 5 12 A Q H >4 S+ 0 0 55 1,-0.3 3,-0.6 2,-0.2 77,-0.3 0.851 107.2 46.6 -56.1 -36.2 3.2 17.7 -170.5 6 13 A L H <4 S+ 0 0 44 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.499 109.5 55.1 -84.8 -5.1 2.1 15.2 -173.2 7 14 A R H << S+ 0 0 25 -3,-1.6 48,-2.5 -4,-0.6 2,-0.4 0.418 95.9 86.6-104.7 -0.1 -1.6 15.9 -172.5 8 15 A K E << -A 54 0A 16 -4,-0.6 74,-2.2 -3,-0.6 2,-0.4 -0.819 55.5-162.1-110.8 142.6 -1.3 19.7 -173.1 9 16 A L E -AB 53 81A 0 44,-2.9 44,-1.7 -2,-0.4 2,-0.3 -0.928 17.3-134.0-118.6 141.0 -1.5 21.9 -176.2 10 17 A F E -AB 52 80A 52 70,-3.4 70,-2.8 -2,-0.4 2,-0.5 -0.732 19.3-155.9 -87.8 139.8 -0.2 25.5 -176.6 11 18 A I E -AB 51 79A 0 40,-2.9 40,-2.1 -2,-0.3 3,-0.4 -0.901 14.5-173.2-123.8 103.8 -2.8 27.7 -178.3 12 19 A G E +AB 50 78A 5 66,-2.4 66,-2.6 -2,-0.5 38,-0.2 -0.498 57.9 32.2 -95.0 164.4 -1.3 30.7 -180.1 13 20 A G S S+ 0 0 28 36,-0.9 37,-0.2 64,-0.2 -1,-0.2 0.813 73.8 176.0 64.9 31.8 -2.9 33.7 -181.8 14 21 A L - 0 0 10 35,-1.6 -1,-0.2 -3,-0.4 62,-0.1 -0.432 34.5-106.4 -67.7 144.0 -5.9 33.7 -179.5 15 22 A S > - 0 0 14 57,-0.4 3,-0.7 60,-0.2 34,-0.1 -0.266 26.2-112.4 -65.9 158.1 -8.4 36.6 -180.1 16 23 A F T 3 S+ 0 0 150 1,-0.2 31,-0.2 -3,-0.1 -1,-0.1 0.764 117.2 54.5 -63.3 -25.2 -8.4 39.4 -177.6 17 24 A E T 3 S+ 0 0 131 56,-0.2 -1,-0.2 2,-0.0 5,-0.2 0.726 80.6 111.3 -80.8 -26.1 -11.9 38.3 -176.6 18 25 A T < - 0 0 1 -3,-0.7 2,-0.3 54,-0.2 31,-0.1 -0.257 44.6-179.5 -57.4 133.2 -11.1 34.7 -175.8 19 26 A T > - 0 0 52 1,-0.1 4,-2.8 28,-0.0 5,-0.3 -0.778 48.5 -92.4-126.4 170.2 -11.3 33.8 -172.1 20 27 A D H > S+ 0 0 56 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.898 129.1 50.4 -48.1 -41.2 -10.7 30.6 -170.1 21 28 A E H > S+ 0 0 138 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.925 110.5 43.4 -64.9 -52.0 -14.4 30.0 -170.7 22 29 A S H > S+ 0 0 26 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.825 115.8 50.6 -67.1 -30.2 -14.6 30.5 -174.5 23 30 A L H >X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 3,-0.7 0.976 112.3 45.7 -69.0 -55.3 -11.4 28.5 -174.9 24 31 A R H 3X S+ 0 0 71 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.933 108.4 57.5 -50.9 -52.0 -12.7 25.6 -172.8 25 32 A S H 3< S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 111.9 41.9 -50.1 -37.7 -16.1 25.7 -174.6 26 33 A H H X< S+ 0 0 31 -4,-1.2 3,-1.5 -3,-0.7 -2,-0.2 0.965 117.7 41.3 -76.3 -57.2 -14.4 25.2 -178.0 27 34 A F H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.664 96.8 76.1 -69.8 -15.5 -11.8 22.5 -177.2 28 35 A E G >< S+ 0 0 91 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.3 0.694 77.6 81.0 -67.5 -14.3 -14.1 20.5 -174.9 29 36 A Q G < S+ 0 0 128 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.577 96.7 41.3 -65.9 -10.0 -15.6 19.4 -178.3 30 37 A W G < S- 0 0 72 -3,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.174 126.1 -46.9-124.4 16.1 -12.8 16.9 -178.5 31 38 A G S < S- 0 0 22 -3,-1.5 2,-0.5 32,-0.1 -1,-0.3 -0.880 76.9 -38.3 148.3-178.9 -12.5 15.6 -175.0 32 39 A T - 0 0 91 -2,-0.3 24,-1.6 -3,-0.1 2,-0.5 -0.700 50.5-146.0 -82.7 120.6 -12.3 16.1 -171.3 33 40 A L E -C 55 0A 11 -2,-0.5 22,-0.3 22,-0.2 3,-0.1 -0.784 19.2-179.1 -91.9 125.5 -10.3 19.2 -170.4 34 41 A T E S+ 0 0 77 20,-3.0 2,-0.3 -2,-0.5 21,-0.2 0.520 77.2 12.5 -96.7 -8.9 -8.3 18.9 -167.1 35 42 A D E +C 54 0A 67 19,-1.3 19,-2.6 -11,-0.0 -1,-0.3 -0.965 61.2 171.2-163.4 148.8 -6.9 22.4 -167.5 36 43 A C E +C 53 0A 11 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.840 15.3 156.3-165.4 124.1 -7.7 25.4 -169.7 37 44 A V E -C 52 0A 35 15,-2.7 15,-2.6 -2,-0.3 2,-0.5 -0.995 34.6-140.7-159.9 150.3 -6.3 28.9 -169.4 38 45 A V E -C 51 0A 5 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.950 31.6-129.2-110.1 122.2 -5.5 32.2 -171.2 39 46 A M E - 0 0 63 11,-1.9 9,-2.9 -2,-0.5 11,-0.5 -0.599 33.3-177.7 -75.7 129.1 -2.2 33.8 -170.1 40 47 A R E -C 47 0A 93 -2,-0.4 7,-0.2 7,-0.3 6,-0.1 -0.801 34.5 -88.4-124.0 165.6 -2.6 37.4 -169.2 41 48 A D > - 0 0 58 5,-2.7 4,-1.5 -2,-0.3 6,-0.0 -0.564 35.5-128.3 -74.0 134.3 -0.4 40.3 -168.1 42 49 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.902 101.8 23.5 -48.0 -49.5 0.1 40.3 -164.3 43 50 A N T 4 S+ 0 0 140 1,-0.1 -2,-0.0 3,-0.0 -3,-0.0 0.958 129.5 36.8 -82.2 -79.3 -0.8 44.0 -164.1 44 51 A T T 4 S- 0 0 102 1,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.674 89.8-146.4 -49.4 -18.8 -3.0 45.1 -167.0 45 52 A K < + 0 0 145 -4,-1.5 -1,-0.2 1,-0.2 2,-0.1 0.632 47.6 148.0 58.4 12.2 -4.6 41.6 -166.8 46 53 A R - 0 0 135 1,-0.1 -5,-2.7 -6,-0.1 -1,-0.2 -0.416 56.8 -93.3 -76.7 153.4 -4.9 41.8 -170.6 47 54 A S E - C 0 40A 6 -7,-0.2 -7,-0.3 -31,-0.2 -1,-0.1 -0.382 20.1-149.3 -66.9 142.7 -4.6 38.7 -172.7 48 55 A R E - 0 0 156 -9,-2.9 -1,-0.1 2,-0.3 -8,-0.1 0.311 47.9-108.5 -93.4 7.6 -1.1 37.8 -174.0 49 56 A G E S+ 0 0 20 -10,-0.3 -35,-1.6 1,-0.2 -36,-0.9 0.765 88.6 74.8 74.2 27.1 -2.8 36.3 -177.0 50 57 A F E +A 12 0A 34 -11,-0.5 -11,-1.9 -37,-0.2 -2,-0.3 -0.989 48.2 163.0-162.2 159.3 -2.1 32.7 -176.2 51 58 A G E -AC 11 38A 0 -40,-2.1 -40,-2.9 -2,-0.3 2,-0.3 -0.863 26.5-108.8-159.4-166.4 -3.1 29.9 -173.8 52 59 A F E -AC 10 37A 46 -15,-2.6 -15,-2.7 -2,-0.3 2,-0.4 -0.997 14.2-171.1-144.0 145.1 -3.2 26.2 -173.0 53 60 A V E -AC 9 36A 0 -44,-1.7 -44,-2.9 -2,-0.3 2,-0.4 -0.986 10.8-163.6-132.9 140.1 -5.7 23.4 -172.9 54 61 A T E -AC 8 35A 0 -19,-2.6 -20,-3.0 -2,-0.4 -19,-1.3 -0.994 4.5-154.3-131.7 128.7 -5.0 20.0 -171.4 55 62 A Y E - C 0 33A 0 -48,-2.5 -22,-0.2 -2,-0.4 3,-0.1 -0.488 28.5-116.5 -96.6 168.0 -7.0 16.8 -172.0 56 63 A A S S+ 0 0 27 -24,-1.6 -54,-0.4 -2,-0.2 2,-0.3 0.689 99.6 26.8 -75.3 -17.3 -7.4 13.7 -169.9 57 64 A T > - 0 0 40 -25,-0.3 4,-1.5 -50,-0.2 3,-0.4 -0.992 69.7-128.8-147.0 153.7 -5.7 11.7 -172.6 58 65 A V H > S+ 0 0 31 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.820 109.8 65.7 -68.3 -29.2 -3.2 12.0 -175.5 59 66 A E H > S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 102.9 46.4 -58.5 -40.7 -5.8 10.4 -177.7 60 67 A E H > S+ 0 0 39 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.870 109.7 53.9 -69.3 -37.9 -8.0 13.4 -177.2 61 68 A V H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.946 109.1 48.8 -60.2 -47.0 -5.1 15.7 -177.9 62 69 A D H X S+ 0 0 50 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.870 109.1 52.9 -60.8 -36.9 -4.5 13.9 -181.1 63 70 A A H X S+ 0 0 40 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.942 109.1 49.5 -63.5 -46.4 -8.2 14.2 -182.0 64 71 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 -34,-0.2 -2,-0.2 0.930 111.9 47.5 -58.6 -47.2 -8.0 18.0 -181.4 65 72 A M H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.891 108.5 54.7 -63.2 -38.0 -4.9 18.3 -183.6 66 73 A N H 3< S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.692 99.5 65.7 -68.3 -14.5 -6.6 16.2 -186.3 67 74 A A T << S+ 0 0 31 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.295 88.0 166.2 -90.4 9.4 -9.5 18.7 -186.1 68 75 A R < + 0 0 66 -3,-1.6 2,-0.1 2,-0.1 10,-0.0 -0.337 41.3 63.7 -67.2 153.0 -7.4 21.6 -187.4 69 76 A P S S- 0 0 116 0, 0.0 2,-0.5 0, 0.0 9,-0.1 0.506 71.9-166.0 -79.4 151.9 -7.9 24.3 -188.5 70 77 A H E -D 77 0B 3 7,-0.5 7,-2.6 -2,-0.1 2,-0.6 -0.898 9.3-168.4-108.0 125.6 -9.4 25.7 -185.2 71 78 A K E -D 76 0B 130 -2,-0.5 2,-0.5 5,-0.3 5,-0.3 -0.960 9.2-177.1-113.2 119.8 -11.4 29.0 -185.1 72 79 A V E > S-D 75 0B 2 3,-2.7 3,-1.4 -2,-0.6 -57,-0.4 -0.980 70.6 -11.3-121.9 123.7 -12.0 30.2 -181.6 73 80 A D T 3 S- 0 0 71 -2,-0.5 -56,-0.2 1,-0.2 -1,-0.2 0.873 130.2 -54.0 57.2 40.1 -14.1 33.4 -181.1 74 81 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.501 118.9 103.6 75.7 5.8 -13.9 34.2 -184.8 75 82 A R E < S-D 72 0B 122 -3,-1.4 -3,-2.7 -60,-0.0 2,-0.6 -0.967 74.4-122.4-122.1 133.4 -10.1 34.0 -185.0 76 83 A V E -D 71 0B 83 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.2 -0.654 36.7-159.8 -75.6 120.9 -8.1 31.1 -186.5 77 84 A V E -D 70 0B 8 -7,-2.6 -7,-0.5 -2,-0.6 -64,-0.2 -0.506 14.9-126.8 -97.5 167.9 -5.8 29.9 -183.7 78 85 A E E -B 12 0A 83 -66,-2.6 -66,-2.4 -2,-0.2 2,-0.3 -0.837 22.6-164.2-121.3 95.8 -2.6 27.9 -183.9 79 86 A P E +B 11 0A 6 0, 0.0 2,-0.3 0, 0.0 -68,-0.2 -0.582 14.9 172.4 -79.4 136.4 -2.6 24.8 -181.6 80 87 A K E -B 10 0A 41 -70,-2.8 -70,-3.4 -2,-0.3 3,-0.1 -0.985 43.1 -89.4-143.3 152.0 0.8 23.1 -181.0 81 88 A R E -B 9 0A 15 -2,-0.3 2,-0.3 -72,-0.2 -72,-0.2 -0.386 57.0-107.7 -57.8 131.9 2.1 20.3 -178.8 82 89 A A - 0 0 3 -74,-2.2 2,-0.5 -77,-0.3 -74,-0.1 -0.498 31.3-146.3 -67.5 124.6 3.1 22.0 -175.5 83 90 A V - 0 0 30 -2,-0.3 5,-0.1 1,-0.1 -1,-0.0 -0.819 24.7-108.7 -95.3 128.1 6.9 22.2 -175.3 84 91 A S > - 0 0 24 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.067 23.2-114.5 -52.8 153.2 8.2 22.0 -171.7 85 92 A R T 4 S+ 0 0 191 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.867 118.0 53.8 -56.4 -38.3 9.7 25.1 -170.1 86 93 A E T >4 S+ 0 0 156 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.965 112.9 39.6 -62.2 -55.3 13.1 23.3 -170.1 87 94 A D G >4 S+ 0 0 63 1,-0.3 3,-0.8 2,-0.2 -2,-0.2 0.798 100.3 75.7 -66.2 -25.7 13.1 22.5 -173.8 88 95 A S G 3< S+ 0 0 34 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.696 89.1 62.0 -59.2 -15.5 11.6 25.9 -174.5 89 96 A Q G < S+ 0 0 148 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.882 80.7 95.0 -76.7 -41.8 15.1 27.2 -173.8 90 97 A R S X S- 0 0 176 -3,-0.8 3,-1.7 -4,-0.5 4,-0.2 -0.176 92.2 -95.1 -51.8 139.0 16.7 25.4 -176.7 91 98 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.320 105.8 8.5 -61.4 137.7 17.0 27.5 -179.9 92 99 A G T > S+ 0 0 24 -3,-0.1 3,-2.4 -4,-0.1 -2,-0.1 0.449 83.0 138.7 73.7 0.9 14.2 27.1 -182.4 93 100 A A T < S+ 0 0 18 -3,-1.7 -4,-0.1 1,-0.3 -5,-0.1 0.769 74.5 41.8 -48.0 -32.0 12.2 25.0 -179.9 94 101 A H T 3 S+ 0 0 106 -4,-0.2 -1,-0.3 -6,-0.2 -6,-0.0 0.391 86.4 124.0-101.5 5.8 9.0 26.8 -180.9 95 102 A L < - 0 0 58 -3,-2.4 2,-1.1 1,-0.1 77,-0.0 -0.292 65.0-124.5 -66.3 147.7 9.5 27.0 -184.7 96 103 A T + 0 0 73 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 -0.823 52.2 155.9 -92.6 100.0 6.9 25.6 -187.1 97 104 A V - 0 0 26 -2,-1.1 55,-0.2 52,-0.2 56,-0.2 -0.933 42.3-158.0-129.5 154.6 9.1 23.2 -189.1 98 105 A K S S+ 0 0 95 -2,-0.3 48,-3.7 54,-0.1 2,-0.4 0.428 72.7 75.8-107.7 -1.8 8.5 20.0 -191.1 99 106 A K E -E 145 0C 79 46,-0.3 74,-2.5 74,-0.2 2,-0.3 -0.914 60.1-157.7-118.5 140.3 12.0 18.6 -191.0 100 107 A I E -EF 144 172C 0 44,-2.9 44,-1.9 -2,-0.4 2,-0.5 -0.878 14.8-134.4-115.7 147.5 13.9 16.8 -188.2 101 108 A F E -EF 143 171C 43 70,-2.8 70,-2.2 -2,-0.3 2,-0.6 -0.868 19.9-164.3 -96.8 125.0 17.6 16.3 -187.6 102 109 A V E -EF 142 170C 0 40,-3.1 40,-2.8 -2,-0.5 2,-0.4 -0.945 13.4-177.0-114.6 108.8 18.3 12.7 -186.6 103 110 A G E +EF 141 169C 11 66,-3.0 66,-2.6 -2,-0.6 38,-0.2 -0.848 52.9 38.0-113.7 147.7 21.8 12.3 -185.0 104 111 A G S S+ 0 0 62 36,-2.0 2,-0.3 -2,-0.4 37,-0.2 0.704 70.3 158.5 94.3 24.6 23.7 9.3 -183.8 105 112 A I - 0 0 10 35,-1.5 -1,-0.2 -3,-0.3 4,-0.1 -0.646 46.8-104.0 -87.0 137.7 22.7 6.8 -186.5 106 113 A K > - 0 0 91 -2,-0.3 3,-2.2 57,-0.3 34,-0.1 -0.204 29.6-116.4 -54.1 145.0 24.9 3.7 -187.2 107 114 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.1 31,-0.1 33,-0.1 0.800 115.5 57.9 -56.1 -30.8 26.9 4.0 -190.3 108 115 A D T 3 S+ 0 0 78 56,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.221 78.5 132.9 -85.9 16.1 25.0 1.0 -191.8 109 116 A T < - 0 0 1 -3,-2.2 2,-0.3 -4,-0.1 31,-0.1 -0.502 35.4-171.1 -71.9 133.4 21.7 2.9 -191.4 110 117 A E >> - 0 0 110 -2,-0.2 3,-1.5 1,-0.0 4,-1.0 -0.828 36.5-102.5-121.2 160.9 19.5 2.8 -194.5 111 118 A E H 3> S+ 0 0 87 -2,-0.3 4,-2.4 1,-0.3 3,-0.2 0.827 117.4 62.1 -53.6 -38.5 16.3 4.7 -195.3 112 119 A H H 3> S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.870 100.2 58.1 -58.5 -30.8 14.1 1.8 -194.6 113 120 A H H <> S+ 0 0 35 -3,-1.5 4,-0.9 1,-0.2 51,-0.3 0.930 107.3 45.3 -61.9 -46.7 15.4 2.0 -191.1 114 121 A L H X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.2 3,-0.5 0.878 112.5 51.2 -64.8 -38.9 14.2 5.6 -190.7 115 122 A R H X S+ 0 0 92 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.905 102.1 60.4 -65.3 -43.2 10.8 4.8 -192.3 116 123 A D H < S+ 0 0 137 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.769 117.8 30.2 -57.1 -28.4 10.2 1.9 -189.9 117 124 A Y H < S+ 0 0 32 -4,-0.9 3,-0.4 -3,-0.5 -2,-0.2 0.857 125.7 39.7 -97.6 -45.2 10.4 4.2 -186.9 118 125 A F H >< S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.2 4,-0.5 0.759 93.0 76.4 -81.0 -27.0 9.2 7.5 -188.2 119 126 A E G >< S+ 0 0 103 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.824 84.7 69.4 -55.3 -30.2 6.3 6.7 -190.5 120 127 A Q G 3 S+ 0 0 133 -3,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 0.676 97.7 54.0 -61.5 -15.3 4.1 6.1 -187.4 121 128 A Y G < S- 0 0 29 -3,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.596 122.8 -59.2 -95.8 -13.7 4.3 9.8 -186.8 122 129 A G S < S- 0 0 23 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 -0.849 74.8 -36.7 153.5 171.0 3.1 11.0 -190.2 123 130 A K - 0 0 129 -2,-0.2 24,-1.6 -3,-0.1 2,-0.4 -0.392 55.6-141.0 -60.4 123.6 3.5 11.1 -194.0 124 131 A I E +G 146 0C 7 22,-0.2 22,-0.3 -2,-0.2 3,-0.1 -0.763 23.1 177.3 -90.4 132.2 7.2 11.3 -194.8 125 132 A E E + 0 0 87 20,-3.6 2,-0.3 -2,-0.4 21,-0.2 0.827 65.3 10.0 -99.1 -44.2 8.1 13.5 -197.7 126 133 A V E -G 145 0C 65 19,-1.6 19,-3.5 2,-0.0 2,-0.4 -0.999 53.3-167.3-144.8 140.5 11.9 13.3 -197.8 127 134 A I E -G 144 0C 17 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.993 10.1-178.6-126.7 127.5 14.7 11.2 -196.2 128 135 A E E -G 143 0C 78 15,-2.9 15,-1.9 -2,-0.4 2,-0.8 -0.889 12.5-163.7-133.3 105.2 18.3 12.3 -196.5 129 136 A I E -G 142 0C 33 -2,-0.4 13,-0.2 13,-0.2 2,-0.1 -0.780 31.6-128.6 -87.3 114.5 21.1 10.2 -194.9 130 137 A M E + 0 0 56 11,-2.0 9,-2.3 -2,-0.8 10,-0.5 -0.353 34.2 166.9 -73.2 139.6 24.1 12.6 -194.8 131 138 A T E -G 138 0C 50 7,-0.3 2,-0.5 8,-0.2 7,-0.2 -0.928 46.2 -87.5-141.1 162.3 27.5 11.8 -196.2 132 139 A D > - 0 0 74 5,-2.8 2,-2.4 -2,-0.3 4,-2.2 -0.634 35.5-135.9 -76.4 122.2 30.6 13.8 -197.0 133 140 A R T 4 S+ 0 0 248 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 -0.507 97.4 33.5 -78.0 74.2 30.3 15.1 -200.5 134 141 A G T 4 S+ 0 0 75 -2,-2.4 -1,-0.2 3,-0.0 -2,-0.0 -0.085 126.9 30.2 175.8 -56.5 33.9 14.2 -201.4 135 142 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.661 91.4-135.3 -94.8 -22.7 34.9 11.1 -199.5 136 143 A G < + 0 0 47 -4,-2.2 2,-0.1 1,-0.3 -3,-0.1 0.564 50.5 154.5 77.3 6.9 31.4 9.7 -199.5 137 144 A K - 0 0 142 -5,-0.1 -5,-2.8 -6,-0.1 -1,-0.3 -0.453 51.4-108.8 -69.4 138.4 31.9 8.8 -195.9 138 145 A K E - G 0 131C 99 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.441 22.7-155.8 -65.2 139.0 28.7 8.5 -193.8 139 146 A R E - 0 0 153 -9,-2.3 -8,-0.2 2,-0.3 -1,-0.1 0.491 36.7-113.6 -97.6 -2.9 28.5 11.4 -191.3 140 147 A G E S+ 0 0 23 -10,-0.5 -36,-2.0 1,-0.2 -35,-1.5 0.723 81.4 79.7 81.6 22.6 26.3 9.7 -188.8 141 148 A F E -E 103 0C 29 -11,-0.4 -11,-2.0 -38,-0.2 2,-0.3 -0.993 51.3-162.9-157.3 156.5 23.1 11.8 -189.1 142 149 A A E -EG 102 129C 0 -40,-2.8 -40,-3.1 -2,-0.3 2,-0.4 -0.846 15.1-134.1-136.4 171.5 20.0 12.2 -191.3 143 150 A F E -EG 101 128C 38 -15,-1.9 -15,-2.9 -2,-0.3 2,-0.4 -0.994 17.3-169.1-128.4 132.9 17.2 14.7 -192.1 144 151 A V E -EG 100 127C 0 -44,-1.9 -44,-2.9 -2,-0.4 2,-0.5 -0.995 6.5-158.0-125.9 127.8 13.6 13.5 -192.4 145 152 A T E -EG 99 126C 28 -19,-3.5 -20,-3.6 -2,-0.4 -19,-1.6 -0.922 9.7-165.9-110.8 130.9 11.0 15.8 -193.8 146 153 A F E - G 0 124C 1 -48,-3.7 -22,-0.2 -2,-0.5 3,-0.1 -0.556 28.9-124.7-107.8 175.5 7.2 15.4 -193.1 147 154 A D S S+ 0 0 88 -24,-1.6 2,-0.4 -2,-0.2 -23,-0.1 0.762 96.1 47.5 -87.5 -30.0 4.0 16.7 -194.5 148 155 A D >> - 0 0 52 -25,-0.3 3,-1.5 -50,-0.1 4,-0.9 -0.951 69.2-144.2-119.7 132.0 2.7 18.1 -191.2 149 156 A H H 3> S+ 0 0 23 -2,-0.4 4,-2.2 1,-0.3 -52,-0.2 0.782 101.2 67.1 -62.4 -25.5 4.6 20.2 -188.7 150 157 A D H 3> S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.774 91.4 60.6 -67.0 -25.3 2.7 18.3 -186.0 151 158 A S H <> S+ 0 0 5 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.944 107.7 45.0 -64.6 -45.9 4.5 15.1 -186.9 152 159 A V H X S+ 0 0 0 -4,-0.9 4,-2.9 -55,-0.2 -2,-0.2 0.910 114.0 49.1 -62.2 -44.0 7.7 16.9 -186.0 153 160 A D H X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.933 108.8 51.9 -63.8 -44.6 6.2 18.3 -182.8 154 161 A K H < S+ 0 0 54 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.801 115.7 44.9 -60.2 -29.9 4.9 14.8 -181.7 155 162 A I H >< S+ 0 0 0 -4,-1.4 3,-1.8 -5,-0.2 -2,-0.2 0.960 109.1 49.5 -79.9 -55.7 8.3 13.5 -182.3 156 163 A V H 3< S+ 0 0 30 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.651 102.2 62.9 -63.7 -16.5 10.6 16.0 -180.6 157 164 A I T 3< S+ 0 0 42 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.1 0.695 91.0 82.5 -80.5 -17.2 8.6 16.1 -177.4 158 165 A Q S < S- 0 0 82 -3,-1.8 12,-0.2 -4,-0.2 3,-0.1 -0.491 73.9-144.7 -81.4 156.8 9.5 12.4 -176.9 159 166 A K S S+ 0 0 154 -2,-0.1 2,-0.3 1,-0.1 11,-0.2 0.865 74.1 43.5 -91.5 -40.5 12.8 11.6 -175.3 160 167 A Y + 0 0 152 9,-0.1 2,-0.4 7,-0.1 -1,-0.1 -0.862 52.8 179.1-116.2 146.1 13.9 8.4 -177.0 161 168 A H - 0 0 3 7,-0.5 7,-2.0 -2,-0.3 2,-0.6 -0.973 16.3-149.7-144.1 123.8 13.8 7.2 -180.6 162 169 A T E +H 167 0D 76 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.848 22.0 168.1-102.6 117.2 15.0 3.8 -181.8 163 170 A V E > -H 166 0D 5 3,-2.5 3,-1.7 -2,-0.6 -57,-0.3 -0.995 69.6 -4.0-130.1 132.0 16.4 3.6 -185.3 164 171 A N T 3 S- 0 0 28 -2,-0.4 -1,-0.2 -51,-0.3 -58,-0.1 0.890 133.2 -52.8 55.8 41.1 18.3 0.7 -186.8 165 172 A G T 3 S+ 0 0 61 -52,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.155 123.3 79.2 85.2 -19.9 18.2 -1.0 -183.3 166 173 A H E < S-H 163 0D 119 -3,-1.7 -3,-2.5 1,-0.1 -60,-0.1 -0.924 82.4 -97.2-129.1 151.9 19.6 1.9 -181.3 167 174 A N E -H 162 0D 79 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.132 39.2-171.7 -56.8 151.8 18.5 5.2 -179.8 168 175 A C - 0 0 4 -7,-2.0 2,-0.5 -63,-0.1 -7,-0.5 -0.979 25.6-110.4-144.9 155.1 19.1 8.4 -181.7 169 176 A E E -F 103 0C 113 -66,-2.6 -66,-3.0 -2,-0.3 2,-0.5 -0.759 30.2-166.1 -91.6 129.2 18.7 12.1 -180.9 170 177 A V E +F 102 0C 14 -2,-0.5 2,-0.3 -68,-0.2 -68,-0.2 -0.954 14.8 162.2-120.1 119.9 16.0 13.9 -182.8 171 178 A R E -F 101 0C 105 -70,-2.2 -70,-2.8 -2,-0.5 2,-0.2 -0.787 47.9 -86.5-124.8 169.6 15.7 17.7 -182.9 172 179 A K E -F 100 0C 26 -2,-0.3 2,-0.4 -72,-0.2 -72,-0.2 -0.561 54.0-108.0 -73.4 142.5 13.9 20.2 -185.1 173 180 A A - 0 0 12 -74,-2.5 2,-0.3 -2,-0.2 -74,-0.2 -0.597 33.2-160.0 -76.9 126.5 16.1 21.0 -188.1 174 181 A L - 0 0 39 -2,-0.4 -3,-0.0 1,-0.1 2,-0.0 -0.722 23.5-108.2-100.0 156.0 17.6 24.5 -188.1 175 182 A S > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.254 36.0 -96.8 -76.4 171.3 18.8 26.1 -191.3 176 183 A K H > S+ 0 0 195 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.881 129.5 42.1 -55.4 -37.1 22.5 26.6 -192.1 177 184 A Q H > S+ 0 0 155 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.869 109.5 54.6 -79.5 -39.1 22.1 30.1 -190.8 178 185 A E H > S+ 0 0 70 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.912 107.1 53.1 -61.7 -39.8 19.9 29.3 -187.7 179 186 A M H >X S+ 0 0 84 -4,-2.8 3,-1.1 2,-0.2 4,-0.9 0.959 110.5 47.9 -57.2 -49.5 22.6 26.8 -186.6 180 187 A A H >< S+ 0 0 63 -4,-1.3 3,-1.6 1,-0.3 -2,-0.2 0.950 109.5 51.4 -55.5 -53.0 25.1 29.7 -186.9 181 188 A S H 3< S+ 0 0 115 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.632 111.5 49.8 -61.7 -12.5 22.9 32.1 -185.0 182 189 A A H << 0 0 51 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.561 360.0 360.0-101.1 -12.0 22.6 29.4 -182.3 183 190 A S << 0 0 133 -3,-1.6 -1,-0.2 -4,-0.9 -2,-0.1 -0.548 360.0 360.0-100.4 360.0 26.4 28.8 -182.1