==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-AUG-03 1Q7R . COMPND 2 MOLECULE: PREDICTED AMIDOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR D.J.MILLER,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 14.4 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 0 0 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 -5 A L 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.2 -4.0 -15.1 68.5 2 -4 A Y - 0 0 237 1,-0.0 2,-0.2 3,-0.0 3,-0.1 -0.688 360.0-153.5-105.6 153.2 -1.9 -12.4 70.3 3 -3 A F - 0 0 89 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.547 37.9 -83.8-105.9 171.6 -2.1 -8.7 70.8 4 -2 A Q - 0 0 81 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.492 26.0-158.1 -71.9 148.0 0.6 -6.1 71.4 5 -1 A S + 0 0 107 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.223 50.9 128.5-108.1 8.1 1.7 -5.8 75.1 6 0 A N - 0 0 35 1,-0.1 2,-0.2 24,-0.1 24,-0.1 -0.427 60.3-124.6 -67.6 134.7 3.0 -2.3 74.4 7 1 A X - 0 0 15 22,-0.4 24,-2.7 -2,-0.1 2,-0.7 -0.538 14.9-136.5 -77.8 145.6 1.7 0.4 76.9 8 2 A K E -a 31 0A 96 -2,-0.2 37,-3.1 22,-0.2 38,-1.2 -0.911 23.9-174.0-106.0 114.3 0.0 3.4 75.4 9 3 A I E -ab 32 46A 0 22,-3.0 24,-2.3 -2,-0.7 38,-0.2 -0.933 10.8-148.2-113.7 120.6 1.1 6.6 77.1 10 4 A G E -ab 33 47A 0 36,-2.4 38,-3.1 -2,-0.6 2,-0.4 -0.437 0.6-152.8 -80.8 156.2 -0.4 9.9 76.3 11 5 A V E -ab 34 48A 0 22,-2.3 24,-2.9 36,-0.2 2,-0.9 -0.989 14.8-140.0-129.7 118.0 1.4 13.2 76.5 12 6 A L E +a 35 0A 5 36,-2.4 39,-0.4 -2,-0.4 2,-0.3 -0.686 62.9 61.9 -81.9 104.1 -0.9 16.2 77.2 13 7 A G S S- 0 0 13 22,-1.3 2,-0.4 -2,-0.9 -2,-0.1 -0.994 85.7 -46.4 170.3-169.0 0.4 19.1 75.0 14 8 A L >> - 0 0 92 -2,-0.3 3,-1.3 1,-0.1 4,-1.0 -0.741 52.8-112.6 -95.7 138.2 1.0 20.5 71.5 15 9 A Q G >4 S+ 0 0 158 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.781 110.1 37.3 -28.6 -66.9 2.8 18.4 68.8 16 10 A G G 34 S+ 0 0 74 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.669 112.5 56.8 -70.9 -20.6 6.1 20.3 68.5 17 11 A A G <4 S+ 0 0 80 -3,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.607 105.9 49.9 -87.3 -12.7 6.6 21.2 72.1 18 12 A V S+ 0 0 32 -3,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.861 78.8 51.1 -58.4 -40.8 8.9 15.9 71.1 20 14 A E H > S+ 0 0 73 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.853 109.8 50.6 -68.9 -31.5 11.4 15.2 74.0 21 15 A H H > S+ 0 0 10 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.906 110.7 49.1 -68.7 -43.1 8.6 13.6 76.1 22 16 A V H X S+ 0 0 29 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.929 111.2 50.6 -59.9 -46.5 7.5 11.4 73.2 23 17 A R H X S+ 0 0 151 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 109.4 49.7 -60.5 -40.6 11.1 10.4 72.7 24 18 A A H X S+ 0 0 10 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.906 113.6 45.9 -68.2 -39.7 11.6 9.5 76.4 25 19 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.3 1,-0.2 3,-1.0 0.943 115.8 45.2 -65.0 -48.7 8.4 7.4 76.4 26 20 A E H ><5S+ 0 0 99 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.835 102.2 66.2 -67.6 -30.6 9.3 5.6 73.1 27 21 A A H 3<5S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.771 101.4 51.3 -60.2 -26.8 12.9 5.1 74.3 28 22 A C T <<5S- 0 0 24 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.249 125.5-101.2 -93.9 11.2 11.4 2.8 77.0 29 23 A G T < 5S+ 0 0 60 -3,-2.1 -22,-0.4 1,-0.3 2,-0.3 0.853 81.8 124.7 76.8 31.8 9.3 0.8 74.4 30 24 A A < - 0 0 9 -5,-1.3 2,-0.5 -24,-0.1 -1,-0.3 -0.897 64.7-113.4-118.8 156.7 6.0 2.4 75.0 31 25 A E E -a 8 0A 80 -24,-2.7 -22,-3.0 -2,-0.3 2,-0.4 -0.802 29.0-146.6 -88.3 123.9 3.8 4.0 72.4 32 26 A A E -a 9 0A 19 -2,-0.5 2,-0.4 -24,-0.2 -22,-0.2 -0.752 12.0-167.3 -90.6 137.7 3.5 7.7 72.9 33 27 A V E -a 10 0A 41 -24,-2.3 -22,-2.3 -2,-0.4 2,-0.6 -0.990 18.7-135.1-124.1 119.7 0.2 9.4 71.9 34 28 A I E -a 11 0A 48 -2,-0.4 2,-0.6 -24,-0.2 -22,-0.2 -0.654 26.5-148.9 -73.0 120.8 -0.0 13.2 71.7 35 29 A V E +a 12 0A 0 -24,-2.9 -22,-1.3 -2,-0.6 3,-0.1 -0.849 43.4 137.2-103.9 122.4 -3.3 14.1 73.5 36 30 A K + 0 0 86 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.644 66.2 55.0-118.0 -57.5 -5.4 17.2 72.5 37 31 A K S > S- 0 0 135 1,-0.1 3,-1.5 28,-0.0 4,-0.3 -0.637 79.4-127.3 -89.9 142.6 -8.9 15.9 72.6 38 32 A S G > S+ 0 0 44 26,-0.6 3,-1.8 -2,-0.3 4,-0.4 0.787 105.5 64.6 -57.2 -34.5 -10.5 14.2 75.6 39 33 A E G > S+ 0 0 133 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.806 90.4 68.2 -61.5 -26.5 -11.7 11.1 73.7 40 34 A Q G < S+ 0 0 69 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.655 88.6 67.0 -67.2 -14.7 -8.0 10.3 73.1 41 35 A L G X S+ 0 0 5 -3,-1.8 3,-1.6 -4,-0.3 -1,-0.2 0.790 83.2 73.8 -74.2 -28.6 -7.7 9.6 76.8 42 36 A E T < S+ 0 0 110 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.880 95.9 46.5 -56.9 -42.5 -9.9 6.5 76.7 43 37 A G T 3 S+ 0 0 52 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.1 0.463 93.0 107.7 -81.7 3.7 -7.4 4.2 75.0 44 38 A L < - 0 0 4 -3,-1.6 -35,-0.2 1,-0.1 3,-0.1 -0.456 52.3-162.1 -88.2 153.8 -4.4 5.1 77.2 45 39 A D S S- 0 0 19 -37,-3.1 2,-0.3 1,-0.3 -36,-0.2 0.617 81.3 -7.5 -97.4 -20.2 -2.7 3.2 80.0 46 40 A G E -b 9 0A 0 -38,-1.2 -36,-2.4 32,-0.2 2,-0.4 -0.974 64.5-132.5-166.9 169.3 -1.1 6.3 81.5 47 41 A L E -bc 10 80A 0 32,-1.9 34,-2.7 -2,-0.3 2,-0.5 -0.999 2.8-151.4-142.6 135.2 -0.5 10.0 80.9 48 42 A V E -bc 11 81A 0 -38,-3.1 -36,-2.4 -2,-0.4 34,-0.2 -0.886 11.9-161.0-102.0 132.1 2.5 12.3 81.0 49 43 A L E + c 0 82A 1 32,-3.5 34,-2.4 -2,-0.5 37,-0.1 -0.878 15.4 173.2-117.6 96.4 1.6 15.9 81.9 50 44 A P - 0 0 15 0, 0.0 36,-0.8 0, 0.0 35,-0.3 0.678 27.4-161.2 -74.1 -19.1 4.5 18.2 80.8 51 45 A G - 0 0 22 -39,-0.4 2,-0.3 34,-0.3 35,-0.1 -0.215 9.3-166.7 67.5-162.2 2.5 21.4 81.6 52 46 A G - 0 0 30 33,-0.1 5,-0.1 -39,-0.1 -39,-0.0 -0.941 46.9 -10.5 164.6-166.4 3.5 24.8 80.2 53 47 A E > - 0 0 97 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.176 65.4-119.7 -55.8 145.5 2.6 28.4 80.9 54 48 A S H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.889 113.0 49.3 -56.0 -42.2 -0.3 28.9 83.2 55 49 A T H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.866 110.3 50.0 -67.2 -38.0 -2.4 30.8 80.6 56 50 A T H > S+ 0 0 62 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 111.8 48.9 -68.8 -35.3 -1.8 28.1 78.0 57 51 A X H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.931 110.5 50.8 -67.7 -46.4 -2.8 25.4 80.4 58 52 A R H X S+ 0 0 108 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.951 114.2 44.3 -54.3 -52.5 -6.0 27.4 81.3 59 53 A R H X S+ 0 0 194 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.909 113.9 49.0 -62.6 -43.6 -6.9 27.8 77.7 60 54 A L H X S+ 0 0 18 -4,-2.5 4,-2.4 2,-0.2 6,-0.3 0.930 112.4 46.8 -61.8 -49.7 -6.1 24.1 76.7 61 55 A I H <>S+ 0 0 10 -4,-2.7 5,-2.0 2,-0.2 6,-0.5 0.904 119.4 41.2 -59.4 -45.0 -8.1 22.6 79.6 62 56 A D H ><5S+ 0 0 100 -4,-2.2 3,-0.9 -5,-0.3 -2,-0.2 0.952 114.7 49.8 -70.4 -50.3 -11.1 24.9 78.8 63 57 A R H 3<5S+ 0 0 76 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.888 121.3 33.8 -57.4 -41.6 -10.9 24.7 75.0 64 58 A Y T 3<5S- 0 0 86 -4,-2.4 -26,-0.6 -5,-0.3 -1,-0.2 0.399 104.3-124.4-100.2 8.3 -10.8 20.9 75.0 65 59 A G T < 5 + 0 0 44 -3,-0.9 3,-0.2 -4,-0.5 -3,-0.2 0.907 55.0 154.0 53.3 49.8 -13.0 20.4 78.1 66 60 A L >< + 0 0 1 -5,-2.0 4,-2.7 -6,-0.3 5,-0.2 0.652 41.2 85.3 -84.5 -14.8 -10.3 18.3 79.7 67 61 A X H > S+ 0 0 100 -6,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.899 97.4 33.7 -57.0 -51.8 -11.1 18.8 83.4 68 62 A E H > S+ 0 0 103 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.916 118.4 53.0 -72.3 -45.3 -13.7 16.0 84.0 69 63 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.874 110.7 49.1 -54.3 -39.1 -12.1 13.6 81.4 70 64 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 111.9 46.9 -67.6 -40.9 -8.8 14.1 83.4 71 65 A K H X S+ 0 0 86 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.844 112.0 52.4 -67.0 -33.1 -10.5 13.4 86.7 72 66 A Q H X S+ 0 0 118 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.896 105.7 53.7 -66.2 -42.8 -12.2 10.4 85.0 73 67 A F H ><>S+ 0 0 10 -4,-2.2 5,-1.3 1,-0.2 3,-0.5 0.928 109.8 47.7 -59.6 -46.3 -8.8 9.1 83.9 74 68 A A H ><5S+ 0 0 7 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.911 107.5 55.9 -60.4 -43.7 -7.6 9.3 87.5 75 69 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.767 98.4 62.0 -63.7 -24.3 -10.7 7.5 88.7 76 70 A A T <<5S- 0 0 68 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.512 117.3-114.4 -78.7 -0.7 -10.0 4.6 86.4 77 71 A G T < 5 + 0 0 31 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.527 63.1 152.3 81.7 7.5 -6.7 4.1 88.3 78 72 A K < - 0 0 47 -5,-1.3 -1,-0.3 1,-0.1 -32,-0.2 -0.535 48.5-112.1 -73.2 128.0 -4.5 5.0 85.3 79 73 A P - 0 0 2 0, 0.0 -32,-1.9 0, 0.0 2,-0.4 -0.233 29.9-161.8 -62.1 147.9 -1.1 6.4 86.3 80 74 A X E -cd 47 169A 0 88,-2.1 90,-2.7 -34,-0.2 2,-0.5 -0.998 5.6-159.8-135.1 133.3 -0.3 10.0 85.7 81 75 A F E -cd 48 170A 0 -34,-2.7 -32,-3.5 -2,-0.4 2,-0.5 -0.949 5.4-166.1-121.0 106.2 3.2 11.6 85.6 82 76 A G E -cd 49 171A 0 88,-2.6 90,-2.0 -2,-0.5 2,-0.4 -0.845 10.4-171.4 -93.4 125.9 3.3 15.4 86.0 83 77 A T E > - d 0 172A 1 -34,-2.4 3,-2.5 -2,-0.5 90,-0.2 -0.942 52.5 -27.7-122.6 142.1 6.7 16.9 85.2 84 78 A C T > S- 0 0 10 88,-1.7 3,-2.5 90,-0.8 4,-0.3 -0.301 138.5 -4.3 54.2-136.0 7.9 20.4 85.7 85 79 A A T >> S+ 0 0 8 -35,-0.3 3,-1.4 1,-0.3 4,-0.6 0.701 125.0 76.5 -59.6 -18.0 4.9 22.7 85.7 86 80 A G H X> S+ 0 0 0 -3,-2.5 4,-0.7 -36,-0.8 3,-0.6 0.776 81.1 71.1 -62.3 -22.7 2.7 19.7 84.8 87 81 A L H X> S+ 0 0 0 -3,-2.5 3,-0.9 85,-0.3 4,-0.6 0.840 87.6 64.0 -60.0 -33.4 3.1 18.8 88.5 88 82 A I H X4 S+ 0 0 1 -3,-1.4 3,-1.2 -4,-0.3 -1,-0.2 0.878 91.6 62.1 -60.2 -38.8 0.8 21.8 89.2 89 83 A L H << S+ 0 0 5 -4,-0.6 13,-3.8 -3,-0.6 -1,-0.2 0.819 105.9 47.4 -57.1 -31.3 -2.1 20.1 87.4 90 84 A L H << S+ 0 0 0 -3,-0.9 15,-3.1 -4,-0.7 14,-0.8 0.605 92.7 108.9 -85.0 -11.0 -1.9 17.3 90.0 91 85 A A E << -e 105 0A 0 -3,-1.2 12,-2.0 -4,-0.6 13,-0.2 -0.238 58.2-151.0 -77.8 157.9 -1.8 19.4 93.1 92 86 A K E S+ 0 0 93 15,-1.5 2,-0.3 13,-0.8 16,-0.2 0.808 83.1 26.7 -87.9 -38.1 -4.3 20.1 95.8 93 87 A R E -e 108 0A 87 14,-1.9 16,-2.3 2,-0.0 2,-0.4 -0.959 63.1-157.6-132.3 149.7 -3.2 23.6 96.7 94 88 A I E -e 109 0A 37 -2,-0.3 2,-0.5 14,-0.2 16,-0.2 -0.938 9.0-150.1-122.1 144.2 -1.4 26.4 94.9 95 89 A V E S+e 110 0A 52 14,-2.2 16,-0.6 -2,-0.4 2,-0.3 -0.979 74.3 12.7-110.1 124.5 0.6 29.3 96.5 96 90 A G S S+ 0 0 35 -2,-0.5 -2,-0.1 14,-0.1 2,-0.0 -0.728 115.8 8.5 111.0-160.5 0.3 32.3 94.1 97 91 A Y S S- 0 0 200 -2,-0.3 14,-0.1 1,-0.1 -2,-0.1 -0.314 82.9-110.3 -59.0 132.5 -1.9 33.0 91.2 98 92 A D + 0 0 125 -4,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 -0.279 48.1 158.1 -64.1 148.1 -4.7 30.4 90.8 99 93 A E - 0 0 14 -11,-0.1 -44,-0.1 -42,-0.0 2,-0.1 -0.946 49.3 -50.5-159.2 172.9 -4.5 28.0 87.8 100 94 A P + 0 0 11 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 -0.320 61.1 156.3 -57.4 125.9 -5.8 24.5 86.7 101 95 A H - 0 0 59 -11,-0.1 -11,-0.2 -9,-0.1 -12,-0.2 -0.945 32.4-154.2-152.7 132.8 -5.1 21.9 89.4 102 96 A L - 0 0 15 -13,-3.8 -12,-0.2 -2,-0.3 -10,-0.2 0.466 33.3-124.4 -89.5 -5.9 -7.1 18.6 89.8 103 97 A G + 0 0 21 -12,-2.0 -11,-0.2 -14,-0.2 -12,-0.2 0.807 68.7 128.7 66.3 34.3 -6.5 17.9 93.5 104 98 A L + 0 0 36 -14,-0.8 2,-0.4 -15,-0.2 -13,-0.2 0.833 60.2 49.6 -89.6 -36.2 -5.0 14.5 92.9 105 99 A X E S-e 91 0A 0 -15,-3.1 2,-2.4 2,-0.1 -13,-0.8 -0.900 84.0-122.3-108.9 138.0 -1.8 14.6 94.9 106 100 A D E S+ 0 0 43 -2,-0.4 42,-2.7 -15,-0.2 2,-0.3 -0.424 72.8 114.3 -77.5 65.8 -1.7 15.9 98.5 107 101 A I E - F 0 147A 1 -2,-2.4 -14,-1.9 40,-0.2 -15,-1.5 -0.967 59.8-138.4-139.3 153.9 0.9 18.6 97.8 108 102 A T E -eF 93 146A 15 38,-2.4 37,-2.2 -2,-0.3 38,-1.3 -0.950 30.2-171.9-111.3 130.2 1.1 22.4 97.8 109 103 A V E -eF 94 144A 0 -16,-2.3 -14,-2.2 -2,-0.5 2,-0.3 -0.881 13.8-163.4-128.1 157.1 2.9 23.8 94.8 110 104 A E E -eF 95 143A 30 33,-2.0 33,-3.0 -2,-0.3 -14,-0.1 -0.998 27.0-113.5-140.6 132.1 4.2 27.2 93.8 111 105 A R >> - 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0 0 77 -2,-0.3 2,-0.7 30,-0.3 30,-0.3 -0.942 25.1-164.3-107.5 108.9 19.4 10.3 94.3 127 121 A I E >> -J 131 0B 2 4,-2.9 4,-2.8 -2,-0.7 3,-2.5 -0.860 21.0-121.2-105.9 112.9 15.9 9.0 93.5 128 122 A K T 34 S+ 0 0 104 26,-3.3 27,-0.0 -2,-0.7 -1,-0.0 -0.243 95.1 3.1 -54.6 123.9 14.5 6.4 95.9 129 123 A G T 34 S+ 0 0 69 1,-0.1 -1,-0.3 -2,-0.0 25,-0.0 0.496 129.9 63.6 77.4 6.1 13.6 3.2 94.1 130 124 A V T <4 S- 0 0 24 -3,-2.5 2,-0.2 24,-0.2 -2,-0.2 0.657 102.2 -93.4-124.5 -48.4 15.0 4.6 90.8 131 125 A G E < -J 127 0B 20 -4,-2.8 -4,-2.9 3,-0.0 3,-0.3 -0.779 27.1 -87.0 147.2 168.5 18.7 5.2 91.2 132 126 A D E S+ 0 0 111 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.618 95.0 41.5-102.6 164.2 21.6 7.6 92.0 133 127 A G E S+ 0 0 46 -8,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.767 70.9 156.8 70.9 24.9 23.4 10.0 89.7 134 128 A F E -J 125 0B 0 -9,-2.3 -9,-2.7 -3,-0.3 2,-0.8 -0.733 41.4-132.9 -82.7 119.4 20.2 11.0 88.0 135 129 A V E -J 124 0B 48 -2,-0.6 2,-0.5 -11,-0.2 -11,-0.2 -0.630 18.4-157.7 -79.2 112.7 20.8 14.4 86.4 136 130 A G E -J 123 0B 0 -13,-3.4 -13,-2.3 -2,-0.8 2,-0.7 -0.781 2.6-153.9 -91.2 125.5 17.8 16.6 87.3 137 131 A V E -J 122 0B 9 -2,-0.5 38,-2.0 -15,-0.2 2,-0.7 -0.896 9.1-164.4-104.9 108.6 17.5 19.5 84.9 138 132 A F E +J 121 0B 8 -17,-2.8 -17,-1.9 -2,-0.7 2,-0.4 -0.834 20.1 158.9-101.1 110.2 15.7 22.4 86.6 139 133 A I S S- 0 0 62 -2,-0.7 -20,-0.1 34,-0.3 -27,-0.1 -0.950 80.7 -19.5-134.6 109.9 14.4 25.0 84.2 140 134 A R S S- 0 0 149 -2,-0.4 -28,-0.4 -22,-0.3 -27,-0.2 0.866 91.9-170.8 59.4 39.7 11.6 27.2 85.6 141 135 A A - 0 0 13 -30,-0.1 -1,-0.2 -29,-0.1 33,-0.1 -0.415 17.5-130.8 -69.8 129.0 11.0 24.5 88.2 142 136 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 -31,-0.2 -0.310 23.5-119.7 -69.1 164.4 7.9 24.8 90.4 143 137 A H E -F 110 0A 49 -33,-3.0 -33,-2.0 -2,-0.0 2,-1.0 -0.922 7.5-142.8-110.1 127.8 8.4 24.4 94.2 144 138 A I E -FG 109 161A 5 17,-0.7 17,-0.5 -2,-0.5 -35,-0.3 -0.836 23.8-178.1 -89.5 106.5 6.7 21.7 96.1 145 139 A V E + 0 0 62 -37,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.838 59.8 0.7 -77.4 -38.2 6.0 23.7 99.3 146 140 A E E -F 108 0A 71 -38,-1.3 -38,-2.4 -3,-0.1 2,-0.4 -0.992 56.7-162.1-153.4 149.4 4.3 20.9 101.3 147 141 A A E -F 107 0A 30 -2,-0.3 -40,-0.2 -40,-0.2 6,-0.0 -0.999 20.7-127.3-137.1 136.1 3.4 17.2 101.1 148 142 A G > - 0 0 13 -42,-2.7 3,-1.9 -2,-0.4 -42,-0.1 -0.156 36.4 -93.7 -73.8 169.0 0.9 15.2 103.2 149 143 A D T 3 S+ 0 0 170 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.774 121.2 60.0 -56.7 -28.9 1.6 12.0 105.0 150 144 A G T 3 S+ 0 0 48 2,-0.1 2,-0.5 -44,-0.1 -1,-0.3 0.553 84.0 98.4 -80.1 -5.5 0.4 9.9 102.1 151 145 A V < - 0 0 15 -3,-1.9 2,-0.7 -45,-0.2 15,-0.2 -0.742 67.7-142.0 -88.2 126.0 3.0 11.2 99.7 152 146 A D E -H 165 0A 62 13,-3.4 13,-2.3 -2,-0.5 2,-0.6 -0.787 14.8-142.9 -87.6 110.3 6.1 9.1 99.1 153 147 A V E +H 164 0A 57 -2,-0.7 11,-0.2 11,-0.2 3,-0.1 -0.698 24.8 173.4 -78.1 121.5 9.2 11.5 98.8 154 148 A L E + 0 0 5 9,-2.4 -26,-3.3 -2,-0.6 2,-0.3 0.722 62.9 4.4-100.5 -30.1 11.5 10.1 96.1 155 149 A A E -H 163 0A 5 8,-1.6 7,-2.5 -28,-0.2 8,-1.5 -0.988 56.4-166.0-156.8 149.2 14.1 12.9 95.9 156 150 A T E -H 161 0A 67 -30,-0.3 2,-0.4 -2,-0.3 -30,-0.3 -0.922 6.5-159.4-131.9 159.2 15.0 16.2 97.5 157 151 A Y E > S-H 160 0A 76 3,-2.5 3,-1.8 -2,-0.3 -32,-0.0 -0.967 87.6 -10.4-141.3 119.2 17.3 19.0 96.5 158 152 A N T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.881 129.9 -60.5 55.5 36.5 18.4 21.3 99.3 159 153 A D T 3 S+ 0 0 150 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.566 111.6 123.4 68.0 11.2 15.8 19.5 101.4 160 154 A R E < S- H 0 157A 131 -3,-1.8 -3,-2.5 -14,-0.0 2,-0.3 -0.854 71.9-109.5 -99.1 140.6 13.0 20.6 99.1 161 155 A I E +GH 144 156A 29 -17,-0.5 -17,-0.7 -2,-0.4 -5,-0.3 -0.551 44.1 164.9 -71.4 126.5 10.9 17.8 97.6 162 156 A V E + 0 0 8 -7,-2.5 11,-2.4 1,-0.4 12,-0.5 0.486 66.4 30.0-120.5 -11.7 11.7 17.5 93.8 163 157 A A E +IH 172 155A 0 -8,-1.5 -9,-2.4 9,-0.2 -8,-1.6 -0.969 69.1 162.7-150.4 132.9 10.1 14.1 93.1 164 158 A A E -IH 171 153A 0 7,-2.8 7,-2.8 -2,-0.3 2,-0.3 -0.981 18.5-157.0-149.8 158.4 7.2 12.4 94.8 165 159 A R E +IH 170 152A 62 -13,-2.3 -13,-3.4 -2,-0.3 2,-0.3 -0.992 9.0 179.0-139.3 143.8 4.6 9.7 94.3 166 160 A Q E > -I 169 0A 48 3,-2.5 3,-2.2 -2,-0.3 2,-0.2 -0.817 66.2 -61.3-145.4 103.2 1.2 9.0 95.7 167 161 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 -62,-0.0 -0.404 124.6 -4.8 60.9-121.0 -0.4 5.8 94.5 168 162 A Q T 3 S+ 0 0 47 -2,-0.2 -88,-2.1 -3,-0.1 2,-0.4 0.455 118.4 94.6 -82.0 -2.0 -0.8 6.1 90.7 169 163 A F E < -dI 80 166A 19 -3,-2.2 -3,-2.5 -90,-0.2 2,-0.4 -0.795 49.8-178.8-100.8 132.6 0.4 9.7 90.7 170 164 A L E +dI 81 165A 1 -90,-2.7 -88,-2.6 -2,-0.4 2,-0.3 -0.981 5.8 178.4-127.1 137.6 4.1 10.6 90.0 171 165 A G E +dI 82 164A 0 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.999 10.1 173.3-143.1 143.6 5.5 14.1 90.0 172 166 A C E -dI 83 163A 0 -90,-2.0 -88,-1.7 -2,-0.3 -85,-0.3 -0.992 26.0-147.7-145.0 148.7 8.8 15.8 89.6 173 167 A S S S+ 0 0 3 -11,-2.4 -34,-0.3 -2,-0.3 -10,-0.1 0.577 81.2 69.1 -92.7 -8.0 9.8 19.5 89.4 174 168 A F S S- 0 0 0 -12,-0.5 -90,-0.8 -36,-0.1 -36,-0.2 -0.325 92.9-100.0-100.1-178.0 12.7 18.8 87.0 175 169 A H > + 0 0 31 -38,-2.0 3,-1.9 1,-0.1 -38,-0.1 -0.796 34.1 175.4-108.4 87.3 12.8 17.7 83.3 176 170 A P G > S+ 0 0 9 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.779 78.2 67.6 -65.9 -21.3 13.5 14.0 83.2 177 171 A E G 3 S+ 0 0 17 1,-0.2 -154,-0.0 -3,-0.1 -153,-0.0 0.616 85.9 71.0 -72.3 -13.9 13.0 14.1 79.4 178 172 A L G < S+ 0 0 77 -3,-1.9 2,-0.3 -41,-0.1 -1,-0.2 0.075 93.9 60.9 -92.8 24.8 16.1 16.2 79.0 179 173 A T S < S- 0 0 34 -3,-0.9 -45,-0.0 2,-0.2 -42,-0.0 -0.958 77.8-132.1-139.1 158.2 18.5 13.4 79.8 180 174 A D S S+ 0 0 147 -2,-0.3 2,-0.8 2,-0.0 -3,-0.1 0.344 77.8 112.4 -90.3 4.3 19.1 10.0 78.1 181 175 A D - 0 0 37 -5,-0.1 3,-0.3 1,-0.1 4,-0.2 -0.720 46.5-177.2 -76.4 110.6 18.8 8.5 81.6 182 176 A H > + 0 0 75 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.251 49.8 105.5 -95.4 11.1 15.5 6.5 81.3 183 177 A R H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 81.5 45.1 -65.2 -33.6 15.3 5.2 84.8 184 178 A L H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.913 114.6 47.7 -76.1 -41.8 12.6 7.5 86.0 185 179 A X H > S+ 0 0 9 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 111.7 52.0 -62.1 -41.7 10.5 7.0 82.9 186 180 A Q H X S+ 0 0 71 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 107.1 52.7 -62.5 -41.7 11.0 3.2 83.3 187 181 A Y H X S+ 0 0 42 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.916 112.0 45.9 -57.9 -43.7 9.8 3.5 86.9 188 182 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 110.5 51.9 -65.6 -44.2 6.7 5.2 85.7 189 183 A L H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.843 106.5 55.3 -61.9 -33.1 6.1 2.7 82.9 190 184 A N H X S+ 0 0 72 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.891 106.7 50.4 -65.9 -38.6 6.4 -0.0 85.6 191 185 A X H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.886 110.5 50.0 -63.4 -38.5 3.6 1.7 87.5 192 186 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 110.8 48.6 -68.5 -42.9 1.6 1.8 84.3 193 187 A K H X S+ 0 0 113 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 112.4 48.4 -61.9 -44.9 2.1 -2.0 83.7 194 188 A E H X S+ 0 0 119 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 111.4 50.2 -61.7 -43.8 1.2 -2.9 87.3 195 189 A A H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.894 111.4 48.0 -63.6 -39.6 -1.9 -0.7 87.1 196 190 A K H X S+ 0 0 83 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.905 110.0 53.0 -66.8 -42.1 -3.0 -2.4 83.8 197 191 A X H X S+ 0 0 116 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.960 111.3 46.8 -52.9 -55.7 -2.3 -5.8 85.3 198 192 A A H >X S+ 0 0 59 -4,-2.5 4,-1.4 1,-0.2 3,-0.7 0.893 109.5 51.4 -57.4 -47.0 -4.5 -5.0 88.2 199 193 A S H 3< S+ 0 0 68 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.885 105.6 57.7 -60.7 -38.0 -7.4 -3.6 86.2 200 194 A S H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 111.5 41.2 -61.9 -29.3 -7.4 -6.7 84.0 201 195 A L H << 0 0 144 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.640 360.0 360.0 -96.3 -18.9 -8.0 -9.0 87.1 202 196 A K < 0 0 139 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.1 -0.078 360.0 360.0-173.7 360.0 -10.6 -6.9 89.0