==== 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 1U1R . COMPND 2 MOLECULE: 5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*(2PR)P*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) . 10949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 62.8 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 . 48 26.2 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 . 11 6.0 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 . 32 17.5 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 0 0 1 0 4 0 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 1 1 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 0 194 0, 0.0 3,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 114.8 -16.5 28.0 48.4 2 9 A E - 0 0 65 54,-0.3 5,-0.1 1,-0.2 0, 0.0 -0.346 360.0 -65.0 -78.1 167.3 -15.4 25.3 46.0 3 10 A P >> - 0 0 78 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.202 39.6-125.5 -55.7 139.7 -12.4 23.0 46.9 4 11 A E G >4 S+ 0 0 79 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.909 110.1 59.7 -52.4 -44.5 -9.0 24.7 47.2 5 12 A Q G >4 S+ 0 0 51 1,-0.3 3,-0.7 2,-0.2 77,-0.3 0.861 106.2 46.8 -55.5 -36.5 -7.6 22.1 44.7 6 13 A L G <4 S+ 0 0 38 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.591 109.1 54.6 -82.1 -11.3 -10.1 23.3 42.1 7 14 A R G << S+ 0 0 22 -3,-1.4 48,-2.6 -4,-0.9 2,-0.4 0.366 96.5 91.7-100.1 4.3 -9.4 27.0 42.7 8 15 A K E < -A 54 0A 16 -3,-0.7 74,-2.2 -4,-0.5 2,-0.4 -0.823 53.8-163.7-111.8 142.1 -5.6 26.5 42.2 9 16 A L E -AB 53 81A 0 44,-2.8 44,-1.8 -2,-0.4 2,-0.4 -0.941 16.0-138.9-120.4 139.1 -3.3 26.8 39.2 10 17 A F E -AB 52 80A 51 70,-3.1 70,-2.7 -2,-0.4 2,-0.6 -0.787 19.2-156.2 -89.2 135.9 0.2 25.5 38.8 11 18 A I E -AB 51 79A 0 40,-3.0 40,-1.8 -2,-0.4 3,-0.3 -0.947 15.1-174.2-119.6 109.6 2.4 28.1 36.9 12 19 A G E +AB 50 78A 4 66,-2.5 66,-3.1 -2,-0.6 38,-0.2 -0.566 57.0 36.9-100.8 165.4 5.4 26.6 35.1 13 20 A G S S+ 0 0 31 36,-0.7 37,-0.2 64,-0.2 -1,-0.2 0.777 75.5 176.5 68.7 28.5 8.3 28.2 33.3 14 21 A L - 0 0 10 35,-2.0 -1,-0.2 -3,-0.3 62,-0.1 -0.356 34.2-104.0 -67.5 141.1 8.5 31.1 35.7 15 22 A S > - 0 0 14 57,-0.3 3,-1.7 60,-0.1 34,-0.2 -0.248 28.6-113.6 -61.6 154.2 11.3 33.6 35.2 16 23 A F T 3 S+ 0 0 145 1,-0.3 31,-0.3 32,-0.1 -1,-0.1 0.783 116.9 48.4 -59.7 -28.2 14.3 33.3 37.6 17 24 A E T 3 S+ 0 0 126 56,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.089 80.5 117.8-103.4 22.1 13.3 36.7 39.1 18 25 A T < - 0 0 1 -3,-1.7 2,-0.3 4,-0.1 31,-0.1 -0.750 43.2-174.3 -89.0 138.4 9.6 36.1 39.6 19 26 A T > - 0 0 54 -2,-0.4 4,-3.0 1,-0.1 5,-0.4 -0.800 44.9 -94.8-126.8 169.0 8.5 36.4 43.2 20 27 A D H > S+ 0 0 60 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.910 128.0 48.9 -47.4 -42.7 5.4 35.8 45.3 21 28 A E H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 111.9 42.7 -65.9 -48.8 4.8 39.5 44.8 22 29 A S H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 115.7 51.2 -69.0 -34.3 5.4 39.8 41.0 23 30 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.939 111.8 46.2 -66.6 -46.7 3.3 36.7 40.4 24 31 A R H X S+ 0 0 72 -4,-2.3 4,-2.1 -5,-0.4 -2,-0.2 0.877 106.7 60.0 -62.4 -38.9 0.4 38.0 42.6 25 32 A S H < S+ 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 111.9 39.1 -57.0 -41.7 0.7 41.4 40.8 26 33 A H H >< S+ 0 0 34 -4,-1.5 3,-1.4 -3,-0.2 -2,-0.2 0.975 120.0 39.7 -73.9 -58.5 -0.0 39.7 37.4 27 34 A F H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.692 97.7 75.0 -69.9 -19.5 -2.6 37.1 38.3 28 35 A E G >< S+ 0 0 88 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.628 79.2 80.0 -68.2 -10.0 -4.6 39.2 40.7 29 36 A Q G < S+ 0 0 131 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.654 94.3 45.5 -69.3 -17.6 -5.9 41.0 37.5 30 37 A W G < S- 0 0 74 -3,-1.8 -1,-0.2 1,-0.3 2,-0.2 0.274 127.8 -44.3-110.3 9.9 -8.3 38.1 37.0 31 38 A G S < S- 0 0 16 -3,-1.1 -1,-0.3 -4,-0.1 2,-0.2 -0.806 77.6 -45.1 148.6 170.8 -9.7 37.8 40.5 32 39 A T - 0 0 90 -2,-0.2 24,-1.6 -3,-0.1 2,-0.5 -0.450 50.0-142.0 -69.5 137.1 -9.0 37.7 44.2 33 40 A L E -C 55 0A 11 22,-0.2 22,-0.3 -2,-0.2 3,-0.1 -0.880 20.4-178.1-103.9 130.8 -6.1 35.5 45.3 34 41 A T E S+ 0 0 72 20,-2.6 2,-0.3 -2,-0.5 21,-0.2 0.536 79.5 11.8 -99.7 -10.0 -6.3 33.4 48.5 35 42 A D E +C 54 0A 68 19,-1.2 19,-2.9 -11,-0.0 -1,-0.3 -0.967 60.5 171.9-162.7 149.2 -2.8 32.1 48.0 36 43 A C E +C 53 0A 9 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.859 13.9 165.2-163.9 125.4 0.2 32.8 45.8 37 44 A V E -C 52 0A 36 15,-2.7 15,-2.3 -2,-0.3 2,-0.5 -0.982 29.8-146.1-155.6 140.0 3.6 31.3 46.0 38 45 A V E -C 51 0A 3 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.900 28.5-134.7-102.7 125.9 6.9 30.8 44.2 39 46 A M E +C 50 0A 65 11,-2.3 9,-3.4 -2,-0.5 11,-0.6 -0.689 33.6 167.4 -84.3 130.3 8.6 27.6 44.9 40 47 A R E -C 47 0A 81 -2,-0.4 7,-0.3 7,-0.3 6,-0.1 -0.928 43.5 -77.5-139.6 163.1 12.4 27.8 45.6 41 48 A D > - 0 0 58 5,-3.1 4,-2.1 -2,-0.3 5,-0.1 -0.424 35.4-136.7 -64.0 127.2 15.2 25.6 46.9 42 49 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.616 100.5 35.0 -58.8 -15.3 15.1 25.4 50.7 43 50 A N T 4 S+ 0 0 148 3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.808 128.4 28.0-108.5 -45.4 18.9 26.0 50.9 44 51 A T T 4 S- 0 0 96 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.543 89.5-138.3 -94.3 -8.4 19.9 28.3 48.1 45 52 A K < + 0 0 140 -4,-2.1 2,-0.1 1,-0.2 3,-0.1 0.578 51.5 152.0 61.3 8.4 16.6 30.1 48.1 46 53 A R - 0 0 132 1,-0.1 -5,-3.1 -6,-0.1 -1,-0.2 -0.445 54.7 -98.5 -70.4 141.5 16.9 29.9 44.3 47 54 A S E - C 0 40A 7 -31,-0.3 -7,-0.3 -7,-0.3 -1,-0.1 -0.321 19.7-149.3 -61.5 138.6 13.7 29.8 42.3 48 55 A R E - 0 0 155 -9,-3.4 -8,-0.2 2,-0.3 -1,-0.1 0.439 45.5-111.0 -87.5 -1.0 12.6 26.4 41.2 49 56 A G E S+ 0 0 18 -10,-0.4 -35,-2.0 1,-0.2 -36,-0.7 0.689 86.2 65.4 82.4 20.4 10.9 28.0 38.2 50 57 A F E +AC 12 39A 37 -11,-0.6 -11,-2.3 -37,-0.2 -2,-0.3 -0.977 48.6 162.1-162.1 165.6 7.3 27.3 39.1 51 58 A G E -AC 11 38A 0 -40,-1.8 -40,-3.0 -2,-0.3 2,-0.3 -0.912 28.4-102.1-167.1-168.0 4.6 28.2 41.6 52 59 A F E -AC 10 37A 51 -15,-2.3 -15,-2.7 -2,-0.3 2,-0.4 -0.979 14.8-167.8-138.1 150.5 0.9 28.3 42.4 53 60 A V E -AC 9 36A 0 -44,-1.8 -44,-2.8 -2,-0.3 2,-0.5 -0.996 10.3-160.8-133.9 137.1 -1.8 30.9 42.5 54 61 A T E -AC 8 35A 0 -19,-2.9 -20,-2.6 -2,-0.4 -19,-1.2 -0.983 6.2-155.5-124.2 127.6 -5.2 30.2 44.1 55 62 A Y E - C 0 33A 0 -48,-2.6 -22,-0.2 -2,-0.5 3,-0.1 -0.515 28.3-115.3 -95.4 167.2 -8.3 32.3 43.3 56 63 A A S S+ 0 0 23 -24,-1.6 2,-0.3 -2,-0.2 -54,-0.3 0.692 98.7 21.7 -73.3 -19.1 -11.5 32.8 45.4 57 64 A T S > S- 0 0 45 -25,-0.3 4,-1.3 -50,-0.1 3,-0.3 -0.990 70.5-125.1-147.7 155.2 -13.6 31.0 42.8 58 65 A V H > S+ 0 0 38 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.824 111.7 64.3 -69.2 -29.1 -13.2 28.5 39.9 59 66 A E H > S+ 0 0 155 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 103.0 48.8 -59.2 -38.1 -14.9 31.0 37.7 60 67 A E H > S+ 0 0 38 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.858 108.5 52.4 -69.7 -34.9 -11.9 33.2 38.3 61 68 A V H X S+ 0 0 1 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.933 109.3 50.2 -64.8 -43.8 -9.6 30.3 37.5 62 69 A D H X S+ 0 0 53 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.879 108.4 52.3 -62.3 -38.3 -11.5 29.9 34.2 63 70 A A H < S+ 0 0 39 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.933 108.8 50.9 -63.0 -44.4 -11.1 33.6 33.4 64 71 A A H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.943 111.4 47.1 -58.6 -47.7 -7.4 33.4 34.0 65 72 A M H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.833 106.1 57.4 -65.4 -31.7 -7.0 30.4 31.7 66 73 A N T 3< S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.573 98.8 66.0 -74.9 -4.7 -9.1 32.0 29.0 67 74 A A T < S+ 0 0 28 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.221 85.3 165.5 -99.9 12.1 -6.5 34.8 29.1 68 75 A R < + 0 0 70 -3,-1.3 2,-0.1 2,-0.1 10,-0.0 -0.366 42.9 68.6 -65.4 152.4 -3.6 32.8 27.8 69 76 A P S S- 0 0 118 0, 0.0 2,-0.5 0, 0.0 9,-0.1 0.517 73.5-164.5 -74.3 148.3 -0.9 33.4 26.7 70 77 A H E -D 77 0B 3 7,-0.5 7,-2.7 -2,-0.1 2,-0.5 -0.907 8.2-168.8-108.8 124.8 0.4 34.6 30.1 71 78 A K E -D 76 0B 134 -2,-0.5 2,-0.5 5,-0.3 5,-0.3 -0.950 5.5-176.2-114.2 121.8 3.5 36.7 30.3 72 79 A V E > S-D 75 0B 2 3,-3.4 3,-1.6 -2,-0.5 -57,-0.3 -0.975 70.8 -14.2-122.6 124.4 5.0 37.2 33.8 73 80 A D T 3 S- 0 0 69 -2,-0.5 -1,-0.2 1,-0.3 -56,-0.1 0.886 130.5 -51.6 54.4 41.4 8.1 39.4 34.3 74 81 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.559 120.0 105.5 75.1 9.1 8.8 39.4 30.6 75 82 A R E < S-D 72 0B 120 -3,-1.6 -3,-3.4 -60,-0.0 2,-0.5 -0.967 72.2-125.3-123.8 135.3 8.6 35.6 30.3 76 83 A V E -D 71 0B 91 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.2 -0.704 37.2-165.9 -78.4 123.7 5.8 33.5 28.8 77 84 A V E -D 70 0B 10 -7,-2.7 -7,-0.5 -2,-0.5 -64,-0.2 -0.541 19.2-121.2-104.9 173.9 4.8 31.1 31.6 78 85 A E E -B 12 0A 77 -66,-3.1 -66,-2.5 -2,-0.2 2,-0.2 -0.827 22.4-163.9-123.7 96.4 2.6 28.0 31.5 79 86 A P E +B 11 0A 5 0, 0.0 2,-0.3 0, 0.0 -68,-0.2 -0.540 16.0 173.3 -75.3 140.3 -0.5 28.0 33.7 80 87 A K E -B 10 0A 40 -70,-2.7 -70,-3.1 -2,-0.2 70,-0.0 -0.991 41.7 -92.3-146.7 149.4 -2.1 24.6 34.3 81 88 A R E -B 9 0A 17 -2,-0.3 2,-0.4 -72,-0.2 -72,-0.2 -0.395 55.5-106.5 -59.1 138.8 -4.9 23.2 36.5 82 89 A A - 0 0 2 -74,-2.2 2,-0.5 -77,-0.3 -74,-0.1 -0.580 29.4-146.5 -75.5 123.8 -3.3 22.1 39.7 83 90 A V - 0 0 35 -2,-0.4 5,-0.1 1,-0.1 74,-0.0 -0.770 26.5-109.5 -89.5 129.7 -3.1 18.3 40.0 84 91 A S > - 0 0 25 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.124 23.5-112.9 -57.4 153.7 -3.5 17.0 43.6 85 92 A R T 4 S+ 0 0 195 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.891 119.7 51.6 -55.4 -38.8 -0.4 15.5 45.3 86 93 A E T >4 S+ 0 0 160 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.952 112.8 42.8 -63.5 -49.7 -2.2 12.1 45.3 87 94 A D G >4 S+ 0 0 62 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.797 101.5 70.5 -68.3 -25.5 -3.0 12.3 41.5 88 95 A S G 3< S+ 0 0 36 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.582 87.6 66.6 -66.3 -10.4 0.5 13.6 40.8 89 96 A Q G < S+ 0 0 151 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.627 83.0 97.9 -84.1 -15.8 1.7 10.1 41.7 90 97 A R S X S- 0 0 164 -3,-1.9 3,-2.0 -4,-0.2 4,-0.2 -0.504 89.4 -97.8 -77.5 140.4 -0.0 8.8 38.6 91 98 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.309 105.9 3.0 -57.2 131.6 2.0 8.2 35.4 92 99 A G T > S+ 0 0 25 -4,-0.1 3,-2.0 1,-0.1 -4,-0.1 0.535 84.5 137.9 69.4 7.5 1.6 11.0 33.0 93 100 A A T < S+ 0 0 18 -3,-2.0 -1,-0.1 1,-0.3 -5,-0.1 0.789 75.5 43.1 -54.2 -30.2 -0.5 13.1 35.4 94 101 A H T 3 S+ 0 0 111 -4,-0.2 -1,-0.3 -6,-0.1 2,-0.1 0.276 85.8 124.5-102.5 11.1 1.4 16.2 34.5 95 102 A L < - 0 0 56 -3,-2.0 2,-0.9 1,-0.1 79,-0.0 -0.366 63.6-126.9 -71.1 148.5 1.6 15.7 30.7 96 103 A T + 0 0 68 -2,-0.1 2,-0.3 76,-0.0 -1,-0.1 -0.875 51.5 153.8 -95.3 106.1 0.3 18.4 28.4 97 104 A V - 0 0 28 -2,-0.9 55,-0.2 52,-0.2 56,-0.2 -0.961 45.2-156.6-135.9 155.6 -2.1 16.4 26.2 98 105 A K S S+ 0 0 97 -2,-0.3 48,-3.0 54,-0.1 2,-0.4 0.405 75.2 77.0-107.9 -2.1 -5.2 17.0 24.1 99 106 A K E -E 145 0C 75 46,-0.2 74,-2.6 74,-0.2 2,-0.3 -0.903 58.9-161.8-118.3 140.4 -6.5 13.5 24.3 100 107 A I E -EF 144 172C 0 44,-2.4 44,-1.8 -2,-0.4 2,-0.5 -0.903 16.6-134.9-120.0 149.5 -8.3 11.5 27.0 101 108 A F E -EF 143 171C 46 70,-2.8 70,-2.3 -2,-0.3 2,-0.6 -0.850 19.9-162.6 -96.6 129.2 -8.9 7.8 27.6 102 109 A V E -EF 142 170C 0 40,-3.0 40,-2.2 -2,-0.5 2,-0.4 -0.961 13.7-169.3-118.4 111.6 -12.5 7.1 28.6 103 110 A G E +EF 141 169C 11 66,-3.1 66,-2.5 -2,-0.6 38,-0.2 -0.814 52.8 30.0-111.4 145.2 -12.9 3.7 30.2 104 111 A G + 0 0 59 36,-2.2 2,-0.3 -2,-0.4 37,-0.2 0.875 69.7 158.9 87.1 41.1 -15.8 1.6 31.2 105 112 A I - 0 0 11 35,-1.7 -1,-0.2 -3,-0.3 59,-0.1 -0.768 44.9-100.9 -98.9 144.3 -18.4 2.6 28.6 106 113 A K > - 0 0 93 -2,-0.3 3,-1.9 57,-0.3 34,-0.1 -0.193 29.2-114.2 -59.1 152.5 -21.4 0.5 27.8 107 114 A E T 3 S+ 0 0 108 1,-0.3 -1,-0.1 31,-0.1 33,-0.1 0.808 116.0 54.5 -57.1 -35.1 -21.4 -1.6 24.6 108 115 A D T 3 S+ 0 0 85 56,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.299 78.7 131.7 -85.9 11.1 -24.2 0.4 23.1 109 116 A T < - 0 0 4 -3,-1.9 2,-0.3 54,-0.1 31,-0.1 -0.459 37.1-169.2 -67.6 133.3 -22.3 3.7 23.6 110 117 A E >> - 0 0 110 -2,-0.2 3,-1.9 1,-0.0 4,-1.1 -0.819 36.6 -99.2-121.0 159.3 -22.3 5.9 20.5 111 118 A E H 3> S+ 0 0 103 -2,-0.3 4,-2.5 1,-0.3 3,-0.3 0.823 119.4 59.5 -46.9 -41.9 -20.4 9.0 19.7 112 119 A H H 3> S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.821 98.7 60.1 -60.9 -28.6 -23.2 11.4 20.5 113 120 A H H <> S+ 0 0 36 -3,-1.9 4,-1.1 2,-0.2 51,-0.3 0.935 109.0 43.0 -63.0 -43.8 -23.2 9.9 24.0 114 121 A L H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.3 5,-0.3 0.908 114.5 50.5 -67.7 -41.4 -19.6 11.1 24.4 115 122 A R H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.913 102.6 59.8 -62.1 -46.9 -20.3 14.5 22.7 116 123 A D H < S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.866 118.2 30.1 -49.6 -43.0 -23.3 15.3 25.0 117 124 A Y H >< S+ 0 0 34 -4,-1.1 3,-0.6 -3,-0.2 -2,-0.2 0.915 123.6 42.9 -85.6 -48.9 -21.1 15.1 28.0 118 125 A F H >< S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.2 4,-0.5 0.725 94.9 72.7 -75.7 -24.3 -17.6 16.2 26.9 119 126 A E G >< S+ 0 0 99 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 0.809 84.7 71.6 -61.8 -25.6 -18.5 19.2 24.6 120 127 A Q G < S+ 0 0 148 -3,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.741 99.6 49.7 -59.9 -20.8 -19.3 21.1 27.8 121 128 A Y G < S- 0 0 48 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.578 123.6 -55.6 -95.9 -13.0 -15.5 21.1 28.4 122 129 A G S < S- 0 0 25 -3,-1.1 2,-0.6 -4,-0.5 -1,-0.3 -0.940 73.8 -39.7 160.1-179.9 -14.3 22.3 25.0 123 130 A K - 0 0 133 -2,-0.3 24,-1.5 -3,-0.1 2,-0.4 -0.613 54.7-143.0 -76.7 115.7 -14.1 22.0 21.2 124 131 A I E +G 146 0C 7 -2,-0.6 22,-0.3 22,-0.2 3,-0.1 -0.651 22.3 177.7 -83.3 132.3 -13.9 18.3 20.3 125 132 A E E + 0 0 84 20,-3.3 2,-0.3 -2,-0.4 21,-0.2 0.813 66.6 9.2 -99.3 -40.7 -11.7 17.4 17.3 126 133 A V E -G 145 0C 68 19,-1.4 19,-2.9 2,-0.0 2,-0.4 -1.000 52.1-166.2-146.7 144.2 -12.0 13.6 17.3 127 134 A I E -G 144 0C 15 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.998 10.6-177.1-128.7 131.3 -14.0 10.8 19.0 128 135 A E E -G 143 0C 73 15,-2.7 15,-2.2 -2,-0.4 2,-0.6 -0.915 10.0-166.5-135.7 108.9 -12.9 7.2 18.7 129 136 A I E -G 142 0C 36 -2,-0.4 13,-0.2 13,-0.2 2,-0.2 -0.843 30.3-128.6 -93.6 119.0 -14.9 4.3 20.2 130 137 A M E + 0 0 55 11,-2.1 9,-2.7 -2,-0.6 10,-0.5 -0.463 29.4 177.1 -80.2 138.9 -12.7 1.2 20.2 131 138 A T E -G 138 0C 57 7,-0.3 7,-0.3 -2,-0.2 2,-0.2 -0.895 39.5 -88.4-130.0 158.6 -13.6 -2.2 18.8 132 139 A D > - 0 0 74 5,-3.2 4,-2.1 -2,-0.3 2,-0.6 -0.461 45.8-107.3 -71.5 139.1 -11.6 -5.4 18.5 133 140 A R T 4 S- 0 0 234 1,-0.2 -1,-0.1 2,-0.2 4,-0.0 -0.529 101.7 -6.1 -67.9 110.2 -9.5 -5.8 15.3 134 141 A G T 4 S+ 0 0 90 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.085 127.0 72.8 93.6 -26.4 -11.3 -8.4 13.3 135 142 A S T 4 S- 0 0 64 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.825 81.7-149.0 -87.6 -38.1 -13.9 -9.3 16.0 136 143 A G < + 0 0 47 -4,-2.1 -3,-0.1 1,-0.3 3,-0.1 0.257 48.2 142.5 85.4 -13.9 -15.9 -6.1 15.6 137 144 A K - 0 0 137 -6,-0.1 -5,-3.2 1,-0.1 -1,-0.3 -0.297 58.5-111.1 -61.5 141.5 -16.7 -6.4 19.3 138 145 A K E - G 0 131C 91 -7,-0.3 -7,-0.3 1,-0.1 -1,-0.1 -0.521 20.5-154.0 -72.3 139.3 -16.8 -3.2 21.4 139 146 A R E - 0 0 147 -9,-2.7 -8,-0.1 2,-0.3 -1,-0.1 0.517 36.5-113.3 -95.8 -4.5 -13.9 -3.0 23.8 140 147 A G E S+ 0 0 16 -10,-0.5 -36,-2.2 1,-0.2 -35,-1.7 0.716 82.8 77.8 83.3 21.3 -15.6 -0.8 26.4 141 148 A F E -E 103 0C 30 -11,-0.4 -11,-2.1 -38,-0.2 2,-0.3 -0.979 50.2-171.4-155.2 164.1 -13.4 2.4 26.0 142 149 A A E -EG 102 129C 0 -40,-2.2 -40,-3.0 -2,-0.3 2,-0.4 -0.932 18.3-126.7-150.8 172.2 -12.8 5.4 23.8 143 150 A F E -EG 101 128C 42 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.4 -0.971 16.8-168.1-126.8 139.0 -10.6 8.3 23.1 144 151 A V E -EG 100 127C 0 -44,-1.8 -44,-2.4 -2,-0.4 2,-0.4 -0.995 5.5-159.9-131.5 127.5 -11.6 12.0 22.8 145 152 A T E -EG 99 126C 28 -19,-2.9 -20,-3.3 -2,-0.4 -19,-1.4 -0.910 8.4-169.3-110.1 133.9 -9.4 14.7 21.4 146 153 A F E - G 0 124C 1 -48,-3.0 -22,-0.2 -2,-0.4 3,-0.1 -0.570 30.9-122.3-110.9 175.6 -9.9 18.4 22.1 147 154 A D S S+ 0 0 86 -24,-1.5 2,-0.4 -2,-0.2 -23,-0.1 0.510 97.0 52.0 -96.7 -6.5 -8.4 21.5 20.7 148 155 A D >> - 0 0 49 -25,-0.3 3,-1.3 -50,-0.2 4,-0.9 -0.994 68.7-147.0-134.4 126.6 -7.1 22.8 24.0 149 156 A H H 3> S+ 0 0 22 -2,-0.4 4,-2.3 1,-0.3 -52,-0.2 0.759 100.5 66.4 -61.9 -24.5 -5.0 20.9 26.6 150 157 A D H 3> S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.813 91.6 60.1 -67.3 -28.9 -6.9 22.8 29.3 151 158 A S H <> S+ 0 0 7 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.937 108.8 45.1 -62.6 -42.8 -10.1 21.0 28.4 152 159 A V H X S+ 0 0 0 -4,-0.9 4,-2.7 -55,-0.2 5,-0.2 0.940 113.3 48.7 -64.5 -47.9 -8.4 17.8 29.2 153 160 A D H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.913 109.5 53.0 -60.1 -42.5 -6.9 19.1 32.4 154 161 A K H < S+ 0 0 40 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.839 113.6 44.8 -60.1 -35.8 -10.3 20.5 33.5 155 162 A I H >< S+ 0 0 0 -4,-1.5 3,-1.6 -3,-0.2 -2,-0.2 0.958 109.5 49.9 -74.2 -55.1 -11.8 17.1 32.9 156 163 A V H 3< S+ 0 0 31 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.728 101.5 62.9 -62.8 -22.3 -9.3 14.7 34.6 157 164 A I T 3< S+ 0 0 38 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.748 91.6 80.6 -73.2 -22.3 -9.1 16.7 37.8 158 165 A Q S < S- 0 0 81 -3,-1.6 12,-0.2 -4,-0.4 3,-0.0 -0.543 75.3-144.2 -80.3 152.4 -12.9 15.9 38.3 159 166 A K S S+ 0 0 157 -2,-0.2 2,-0.3 1,-0.1 11,-0.2 0.918 73.5 44.8 -85.3 -44.0 -13.7 12.5 39.8 160 167 A Y + 0 0 149 9,-0.1 2,-0.3 7,-0.1 -1,-0.1 -0.799 52.3 177.3-110.0 147.1 -16.9 11.5 38.1 161 168 A H - 0 0 1 7,-0.5 7,-2.4 -2,-0.3 2,-0.6 -0.965 17.0-149.5-146.3 124.3 -18.1 11.7 34.5 162 169 A T E +H 167 0D 80 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.877 22.1 167.3-104.5 120.4 -21.4 10.4 33.3 163 170 A V E > -H 166 0D 5 3,-2.7 3,-1.6 -2,-0.6 -57,-0.3 -0.998 69.5 -2.8-133.9 128.7 -21.7 9.0 29.7 164 171 A N T 3 S- 0 0 25 -2,-0.4 -1,-0.2 -51,-0.3 -58,-0.1 0.936 133.7 -53.0 55.5 45.7 -24.6 7.0 28.3 165 172 A G T 3 S+ 0 0 59 -3,-0.1 2,-0.3 -52,-0.1 -1,-0.3 0.283 122.2 79.8 77.0 -8.8 -26.2 7.1 31.7 166 173 A H E < S-H 163 0D 115 -3,-1.6 -3,-2.7 -60,-0.0 -1,-0.1 -0.931 82.1 -95.0-135.1 157.3 -23.3 5.7 33.8 167 174 A N E -H 162 0D 83 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.326 39.2-173.7 -64.5 144.8 -20.0 6.8 35.3 168 175 A C - 0 0 3 -7,-2.4 -7,-0.5 -63,-0.1 2,-0.4 -0.951 25.4-114.4-136.7 154.8 -16.9 6.2 33.3 169 176 A E E -F 103 0C 107 -66,-2.5 -66,-3.1 -2,-0.3 2,-0.5 -0.765 29.1-162.9 -93.0 136.8 -13.2 6.7 34.3 170 177 A V E +F 102 0C 13 -2,-0.4 2,-0.3 -11,-0.2 -68,-0.2 -0.973 15.3 163.0-126.5 125.8 -11.3 9.4 32.4 171 178 A R E -F 101 0C 116 -70,-2.3 -70,-2.8 -2,-0.5 2,-0.2 -0.872 47.2 -86.6-132.8 166.0 -7.5 9.7 32.3 172 179 A K E -F 100 0C 27 -2,-0.3 2,-0.4 -72,-0.2 -72,-0.2 -0.532 55.8-107.3 -70.6 139.8 -5.0 11.6 30.1 173 180 A A - 0 0 15 -74,-2.6 2,-0.4 -2,-0.2 -74,-0.2 -0.588 36.2-163.9 -75.6 127.7 -4.2 9.4 27.1 174 181 A L - 0 0 37 -2,-0.4 -3,-0.0 1,-0.1 -77,-0.0 -0.895 20.7-115.3-111.2 141.0 -0.7 7.8 27.2 175 182 A S > - 0 0 59 -2,-0.4 4,-2.1 1,-0.1 5,-0.3 -0.186 35.1-101.5 -66.3 166.4 1.0 6.2 24.2 176 183 A K H > S+ 0 0 183 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.886 125.3 47.5 -56.9 -38.6 1.7 2.5 24.1 177 184 A Q H > S+ 0 0 161 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 106.8 55.0 -71.2 -40.4 5.3 3.3 25.1 178 185 A E H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.938 111.4 43.9 -60.4 -46.5 4.5 5.7 27.9 179 186 A M H >< S+ 0 0 88 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.871 108.0 59.2 -66.2 -36.8 2.4 3.1 29.7 180 187 A A H >< S+ 0 0 66 -4,-1.5 3,-0.7 1,-0.3 -1,-0.2 0.880 106.2 48.1 -58.4 -38.8 4.9 0.4 29.1 181 188 A S H 3< S+ 0 0 112 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.654 118.1 42.5 -74.9 -15.4 7.4 2.6 31.0 182 189 A A T << 0 0 50 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.290 360.0 360.0-110.9 5.1 4.7 2.9 33.6 183 190 A S < 0 0 137 -3,-0.7 -1,-0.1 -4,-0.5 -3,-0.1 -0.448 360.0 360.0-103.8 360.0 3.6 -0.7 33.5