==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-08 3FLB . COMPND 2 MOLECULE: RIFR; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS MEDITERRANEI; . AUTHOR J.L.SMITH,D.L.AKEY . 245 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0.4 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-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 . 14 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 2 0 1 0 0 0 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E >> 0 0 180 0, 0.0 3,-1.3 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 -31.8 13.1 14.0 2.9 2 6 A A H 3> + 0 0 22 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.854 360.0 47.0 -55.1 -42.0 11.5 15.1 6.1 3 7 A E H 34 S+ 0 0 79 2,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.526 101.6 64.7 -85.7 -4.2 14.6 17.1 7.3 4 8 A K H <4 S+ 0 0 58 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.786 115.2 33.1 -75.4 -29.6 15.0 18.7 3.9 5 9 A W H < S+ 0 0 3 -4,-1.1 44,-2.8 -3,-0.4 2,-0.5 0.749 122.7 49.8 -89.5 -32.6 11.7 20.4 4.6 6 10 A L E < -A 48 0A 0 -4,-1.7 2,-0.5 42,-0.2 42,-0.2 -0.961 65.3-162.1-123.3 122.5 12.0 20.7 8.4 7 11 A R E -A 47 0A 43 40,-3.1 40,-3.1 -2,-0.5 2,-0.7 -0.895 2.9-163.5-106.9 128.9 15.0 22.1 10.2 8 12 A R + 0 0 51 -2,-0.5 3,-0.2 38,-0.2 38,-0.1 -0.887 12.9 173.3-112.4 95.5 15.5 21.4 13.9 9 13 A F S S+ 0 0 67 -2,-0.7 2,-0.3 36,-0.3 -1,-0.1 0.710 74.6 29.0 -79.1 -21.1 18.0 24.0 15.2 10 14 A E S S- 0 0 69 35,-0.4 35,-0.3 2,-0.0 -1,-0.3 -0.870 79.8-140.9-144.4 104.5 17.7 23.0 18.8 11 15 A R - 0 0 157 -2,-0.3 -3,-0.0 -3,-0.2 -2,-0.0 -0.440 18.7-178.9 -64.1 134.9 16.8 19.4 19.8 12 16 A A > + 0 0 2 -2,-0.1 3,-1.7 1,-0.1 32,-0.1 -0.735 4.1 177.4-136.7 83.9 14.4 19.3 22.7 13 17 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 31,-0.0 0.746 81.3 49.6 -64.6 -26.4 13.8 15.6 23.4 14 18 A D T 3 S+ 0 0 148 27,-0.1 2,-0.2 29,-0.0 30,-0.0 0.176 81.2 137.2 -98.3 16.9 11.6 16.3 26.5 15 19 A A < - 0 0 4 -3,-1.7 28,-0.2 1,-0.1 27,-0.2 -0.433 46.4-155.1 -68.9 134.8 9.4 18.8 24.7 16 20 A R S S+ 0 0 218 26,-1.5 2,-0.3 -2,-0.2 27,-0.2 0.517 80.3 24.0 -84.5 -10.0 5.6 18.5 25.3 17 21 A A E -b 43 0A 5 25,-0.9 27,-2.4 65,-0.1 2,-0.4 -0.992 64.6-144.0-151.2 151.6 4.9 20.2 21.9 18 22 A R E -bc 44 84A 18 65,-2.6 67,-2.8 -2,-0.3 2,-0.6 -0.948 16.5-150.8-112.7 141.9 6.5 20.8 18.6 19 23 A L E -bc 45 85A 0 25,-2.4 27,-2.5 -2,-0.4 2,-0.5 -0.939 3.8-151.2-118.2 109.4 5.9 24.0 16.8 20 24 A V E -bc 46 86A 0 65,-2.8 67,-3.5 -2,-0.6 2,-0.5 -0.681 17.1-157.1 -78.1 122.9 6.0 24.0 13.0 21 25 A C E -bc 47 87A 0 25,-2.8 27,-2.9 -2,-0.5 67,-0.2 -0.926 8.4-168.3-115.3 119.9 7.2 27.4 11.8 22 26 A L E - c 0 88A 0 65,-3.0 67,-2.2 -2,-0.5 70,-0.1 -0.926 11.5-146.2-115.0 117.5 6.3 28.6 8.3 23 27 A P - 0 0 0 0, 0.0 69,-0.3 0, 0.0 6,-0.1 -0.158 26.2 -94.0 -72.2 168.4 8.0 31.8 6.9 24 28 A H > - 0 0 3 67,-0.2 3,-1.6 68,-0.1 66,-0.1 -0.241 57.1 -81.2 -70.2 174.2 6.5 34.4 4.5 25 29 A A T 3 S+ 0 0 3 1,-0.3 144,-0.1 144,-0.1 145,-0.1 0.784 132.0 41.4 -53.1 -35.2 7.1 34.0 0.8 26 30 A G T 3 S+ 0 0 1 143,-0.1 -1,-0.3 2,-0.1 140,-0.1 0.671 99.6 102.6 -84.2 -15.5 10.6 35.5 0.9 27 31 A G < - 0 0 0 -3,-1.6 23,-0.3 1,-0.1 2,-0.2 -0.218 51.9-154.2 -87.0 156.9 11.7 33.7 4.1 28 32 A S > - 0 0 0 21,-0.1 3,-1.7 -6,-0.1 4,-0.3 -0.728 37.5 -99.0-118.6 169.6 13.8 30.8 4.9 29 33 A A G > S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.2 20,-0.1 0.832 116.1 69.5 -53.1 -35.0 14.0 28.3 7.8 30 34 A S G > S+ 0 0 32 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.724 80.2 76.0 -62.4 -23.0 16.9 30.3 9.4 31 35 A F G < S+ 0 0 37 -3,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.839 97.2 48.8 -52.8 -34.0 14.5 33.2 10.2 32 36 A F G <> S+ 0 0 7 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.3 0.313 78.0 104.0 -93.9 7.0 13.2 31.0 13.0 33 37 A F H <> S+ 0 0 91 -3,-1.9 4,-1.9 1,-0.2 3,-0.2 0.942 82.6 47.7 -57.3 -51.1 16.6 30.1 14.5 34 38 A P H > S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.872 109.7 53.9 -59.9 -34.4 16.3 32.5 17.5 35 39 A L H > S+ 0 0 18 -4,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 105.3 54.3 -64.0 -38.0 12.8 31.2 18.2 36 40 A A H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 9,-0.2 0.937 111.4 44.5 -61.2 -45.4 14.1 27.6 18.3 37 41 A K H < S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 115.3 49.6 -61.8 -45.4 16.7 28.7 20.9 38 42 A A H < S+ 0 0 54 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.860 114.0 41.8 -60.5 -43.8 14.0 30.7 22.8 39 43 A L H >X S+ 0 0 8 -4,-2.7 4,-2.0 -5,-0.1 3,-0.6 0.745 93.3 126.7 -84.3 -28.3 11.3 28.0 23.0 40 44 A A T 3< + 0 0 17 -4,-1.6 4,-0.1 1,-0.3 -28,-0.1 -0.489 57.3 27.6 -70.4 148.4 13.5 24.9 23.8 41 45 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -27,-0.1 -0.995 128.8 39.3 -87.2 -7.2 13.5 22.8 25.9 42 46 A A T <4 S+ 0 0 65 -3,-0.6 -26,-1.5 1,-0.2 -25,-0.9 0.835 126.1 29.5 -72.0 -33.9 9.7 23.0 26.5 43 47 A V E < S- b 0 17A 6 -4,-2.0 2,-0.6 -28,-0.2 -25,-0.2 -0.992 74.2-144.8-130.1 134.1 8.8 23.4 22.9 44 48 A E E - b 0 18A 2 -27,-2.4 -25,-2.4 -2,-0.4 2,-0.4 -0.887 16.7-141.7-102.0 120.0 10.8 22.1 19.9 45 49 A V E - b 0 19A 1 -2,-0.6 2,-0.6 -35,-0.3 -35,-0.4 -0.643 11.5-166.9 -81.9 131.7 10.8 24.3 16.8 46 50 A L E - b 0 20A 0 -27,-2.5 -25,-2.8 -2,-0.4 2,-0.5 -0.957 15.5-155.8-113.5 104.5 10.6 22.7 13.3 47 51 A A E -Ab 7 21A 0 -40,-3.1 -40,-3.1 -2,-0.6 2,-0.3 -0.742 12.3-132.3 -89.9 125.2 11.5 25.5 10.9 48 52 A V E -A 6 0A 0 -27,-2.9 2,-0.6 -2,-0.5 -42,-0.2 -0.603 14.2-162.6 -83.9 131.4 10.1 24.9 7.4 49 53 A Q - 0 0 0 -44,-2.8 -21,-0.1 -2,-0.3 3,-0.1 -0.927 16.2-148.6-111.8 103.3 12.3 25.4 4.4 50 54 A Y > - 0 0 0 -2,-0.6 3,-1.6 -23,-0.3 6,-0.2 -0.345 32.4 -87.8 -67.2 150.4 10.2 25.7 1.3 51 55 A P T 3 S+ 0 0 0 0, 0.0 11,-0.3 0, 0.0 6,-0.1 -0.307 114.8 31.7 -52.9 137.9 11.5 24.5 -2.1 52 56 A G T 3 S+ 0 0 0 4,-1.7 2,-0.3 1,-0.3 113,-0.3 0.298 96.1 106.6 96.5 -9.0 13.6 27.1 -3.8 53 57 A R S X S- 0 0 5 -3,-1.6 3,-3.2 112,-0.1 -1,-0.3 -0.735 86.2 -38.3-101.7 154.3 15.0 28.9 -0.7 54 58 A Q G > S+ 0 0 47 1,-0.3 3,-1.4 -2,-0.3 4,-0.1 -0.022 136.0 7.0 39.8-117.6 18.5 28.7 0.8 55 59 A D G 3 S+ 0 0 82 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.624 133.1 57.1 -68.1 -14.2 19.9 25.2 0.4 56 60 A R G X S+ 0 0 1 -3,-3.2 3,-2.1 -6,-0.2 -4,-1.7 0.193 70.1 119.1 -99.3 15.7 16.9 24.2 -1.7 57 61 A R T < S+ 0 0 82 -3,-1.4 -1,-0.2 1,-0.3 108,-0.1 0.709 70.4 54.9 -58.0 -25.7 17.5 27.0 -4.2 58 62 A H T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.607 89.7 93.7 -84.8 -11.9 17.9 24.6 -7.2 59 63 A E S < S- 0 0 57 -3,-2.1 106,-0.1 -6,-0.1 3,-0.1 -0.521 85.1-108.3 -77.2 146.8 14.5 23.0 -6.6 60 64 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.428 38.5-104.0 -69.3 151.4 11.5 24.3 -8.5 61 65 A P - 0 0 40 0, 0.0 -9,-0.1 0, 0.0 105,-0.1 -0.354 49.2 -85.7 -68.2 157.8 9.0 26.3 -6.5 62 66 A V - 0 0 4 -11,-0.3 3,-0.1 1,-0.1 110,-0.1 -0.189 29.1-123.3 -61.9 156.7 5.7 24.5 -5.6 63 67 A D S S- 0 0 137 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.756 82.4 -26.8 -73.0 -26.3 2.8 24.5 -8.1 64 68 A S > - 0 0 44 1,-0.1 4,-2.3 112,-0.0 -1,-0.2 -0.974 66.3 -89.3-172.9 169.6 0.4 26.0 -5.5 65 69 A I H > S+ 0 0 6 107,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.873 126.1 56.0 -57.3 -39.7 -0.5 26.5 -1.9 66 70 A G H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 108.5 45.8 -56.6 -49.2 -2.5 23.3 -2.2 67 71 A G H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 111.5 51.2 -64.2 -42.5 0.6 21.3 -3.5 68 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.928 111.0 48.9 -60.4 -47.0 2.8 22.7 -0.8 69 73 A T H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 109.9 51.9 -58.6 -48.1 0.3 21.7 1.9 70 74 A N H X S+ 0 0 78 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.899 113.1 44.6 -52.8 -46.1 0.0 18.2 0.4 71 75 A R H X S+ 0 0 96 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.901 112.0 51.8 -72.0 -39.0 3.8 17.8 0.5 72 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.845 102.4 59.2 -66.7 -35.6 4.2 19.2 4.0 73 77 A L H X S+ 0 0 3 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.918 107.6 46.7 -57.1 -43.5 1.5 16.8 5.5 74 78 A E H < S+ 0 0 108 -4,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.897 112.4 50.8 -66.5 -38.6 3.6 13.8 4.3 75 79 A V H < S+ 0 0 13 -4,-1.6 4,-0.3 1,-0.2 -2,-0.2 0.831 107.4 52.9 -66.9 -35.2 6.7 15.4 5.7 76 80 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.685 85.0 88.4 -78.1 -19.2 5.2 16.1 9.2 77 81 A R G >< S+ 0 0 86 -4,-0.9 3,-2.2 -3,-0.4 -1,-0.2 0.876 84.3 51.0 -48.7 -53.7 4.0 12.5 9.8 78 82 A P G > S+ 0 0 86 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.813 109.3 54.7 -56.1 -27.3 7.2 11.2 11.4 79 83 A F G X S+ 0 0 14 -3,-1.1 3,-0.9 -4,-0.3 -2,-0.2 0.422 80.6 93.8 -87.1 2.8 7.0 14.2 13.7 80 84 A G G < + 0 0 17 -3,-2.2 -1,-0.2 -4,-0.3 4,-0.1 0.361 52.3 96.2 -78.3 4.7 3.4 13.4 14.9 81 85 A D G < S+ 0 0 114 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.446 92.8 37.5 -77.1 -0.6 4.6 11.4 17.9 82 86 A R S < S- 0 0 68 -3,-0.9 -65,-0.1 27,-0.1 -66,-0.1 -0.983 108.8 -76.9-141.4 161.3 4.1 14.6 19.9 83 87 A P - 0 0 57 0, 0.0 -65,-2.6 0, 0.0 2,-0.5 -0.138 45.1-142.5 -57.4 143.7 1.5 17.4 19.6 84 88 A L E -c 18 0A 4 26,-0.3 28,-2.3 -67,-0.2 29,-0.6 -0.926 17.6-177.3-111.1 127.7 1.9 19.8 16.7 85 89 A A E -cd 19 113A 0 -67,-2.8 -65,-2.8 -2,-0.5 2,-0.4 -0.900 19.1-139.4-111.4 154.0 1.2 23.5 16.9 86 90 A L E -cd 20 114A 0 27,-2.4 29,-3.5 -2,-0.3 2,-0.4 -0.941 16.9-176.1-117.2 132.6 1.6 25.7 13.8 87 91 A F E +cd 21 115A 4 -67,-3.5 -65,-3.0 -2,-0.4 2,-0.4 -0.995 14.6 168.9-121.9 126.8 3.1 29.2 13.6 88 92 A G E -cd 22 116A 0 27,-2.4 29,-3.1 -2,-0.4 2,-0.5 -0.998 22.4-151.6-140.6 141.0 3.0 31.0 10.2 89 93 A H E > - d 0 117A 1 -67,-2.2 3,-2.3 -2,-0.4 29,-0.2 -0.930 66.1 -43.9-111.7 129.9 3.7 34.5 9.1 90 94 A A T >> S+ 0 0 6 27,-2.5 4,-1.3 -2,-0.5 3,-1.3 -0.331 143.3 14.0 54.4-117.7 1.9 35.9 6.0 91 95 A M H 3> S+ 0 0 3 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.905 129.4 58.9 -45.3 -45.8 2.1 33.1 3.4 92 96 A G H <> S+ 0 0 0 -3,-2.3 4,-2.8 -69,-0.3 -1,-0.3 0.822 98.9 57.7 -54.9 -35.8 3.1 30.8 6.3 93 97 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 24,-0.3 -1,-0.2 0.901 105.9 49.5 -61.6 -44.4 -0.2 31.6 8.1 94 98 A I H X S+ 0 0 4 -4,-1.3 4,-2.7 -3,-0.4 -2,-0.2 0.958 114.0 44.0 -58.3 -52.8 -2.2 30.4 5.0 95 99 A I H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.918 111.1 55.0 -61.0 -44.2 -0.3 27.1 4.9 96 100 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.924 110.4 46.8 -51.6 -47.4 -0.5 26.8 8.7 97 101 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 112.9 47.5 -60.7 -49.1 -4.3 27.1 8.3 98 102 A E H X S+ 0 0 30 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.893 112.5 50.2 -63.3 -39.6 -4.5 24.6 5.4 99 103 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.971 110.1 50.1 -59.0 -54.0 -2.3 22.1 7.3 100 104 A A H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 85,-0.2 0.860 110.8 49.8 -50.7 -44.6 -4.5 22.4 10.4 101 105 A L H < S+ 0 0 9 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.862 118.6 38.2 -61.2 -39.0 -7.6 21.8 8.3 102 106 A R H X S+ 0 0 90 -4,-1.7 4,-1.5 -3,-0.4 -2,-0.2 0.671 91.7 88.2 -92.1 -20.1 -6.2 18.7 6.7 103 107 A M H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.7 0.871 87.1 47.3 -51.5 -55.1 -4.2 17.1 9.6 104 108 A P H >45S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.923 115.9 44.8 -57.0 -46.5 -7.0 14.9 11.2 105 109 A E H 345S+ 0 0 172 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.723 109.7 57.7 -67.2 -23.2 -8.1 13.5 7.8 106 110 A A H 3<5S- 0 0 16 -4,-1.5 -1,-0.3 -3,-0.3 -3,-0.1 0.581 126.1-102.7 -81.5 -10.5 -4.5 13.0 6.9 107 111 A G T <<5S+ 0 0 58 -3,-1.2 -2,-0.1 -4,-0.7 -4,-0.1 0.738 81.9 122.5 92.8 26.5 -4.0 10.8 9.9 108 112 A L S - 0 0 1 82,-2.0 3,-2.1 1,-0.1 -1,-0.1 -0.124 44.3-109.8 -54.0 150.1 -8.4 35.6 7.6 122 126 A P T 3 S+ 0 0 7 0, 0.0 56,-0.5 0, 0.0 -1,-0.1 0.781 119.6 52.2 -54.4 -29.0 -8.5 32.9 4.8 123 127 A S T 3 S+ 0 0 28 83,-0.1 2,-0.5 80,-0.1 -2,-0.1 0.479 91.9 95.6 -84.2 -4.6 -12.0 34.2 3.8 124 128 A R < + 0 0 77 -3,-2.1 2,-0.3 79,-0.1 -4,-0.1 -0.763 49.0 168.9 -99.4 127.4 -10.9 37.8 3.5 125 129 A Y - 0 0 80 -2,-0.5 2,-0.4 2,-0.0 -4,-0.1 -0.816 21.9-141.3-128.1 169.2 -9.9 39.3 0.1 126 130 A R - 0 0 84 -2,-0.3 2,-1.4 4,-0.1 3,-0.2 -1.000 14.3-138.3-133.2 137.2 -9.2 42.7 -1.4 127 131 A D + 0 0 165 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.685 66.8 117.4 -90.0 83.7 -10.1 44.1 -4.8 128 132 A D S S- 0 0 70 -2,-1.4 -1,-0.2 2,-0.1 3,-0.1 0.270 82.1-113.2-136.0 5.8 -6.7 45.7 -5.3 129 133 A D + 0 0 127 -3,-0.2 2,-0.9 1,-0.2 3,-0.1 0.617 64.1 148.7 62.5 16.9 -5.1 44.0 -8.4 130 134 A V + 0 0 35 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.736 3.8 151.1 -82.3 107.9 -2.4 42.4 -6.2 131 135 A R S S- 0 0 156 -2,-0.9 2,-0.3 1,-0.1 43,-0.3 0.321 70.5 -14.1-118.6 1.6 -1.6 39.1 -7.9 132 136 A G S S- 0 0 23 42,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.933 86.5 -65.4-175.0-167.4 2.0 38.9 -6.8 133 137 A A - 0 0 24 -2,-0.3 2,-0.1 34,-0.3 38,-0.1 -0.848 38.0-130.2-104.0 138.3 4.8 40.9 -5.3 134 138 A S > - 0 0 48 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.400 31.6-110.4 -69.0 159.9 6.5 43.9 -6.9 135 139 A D H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 120.5 54.3 -60.0 -35.1 10.3 43.7 -6.9 136 140 A E H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 109.7 46.0 -70.4 -35.9 10.3 46.6 -4.4 137 141 A R H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 112.0 51.7 -67.0 -51.0 8.0 44.7 -2.0 138 142 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.905 114.7 41.8 -48.7 -51.2 10.1 41.5 -2.4 139 143 A V H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.922 111.9 54.8 -67.3 -43.4 13.3 43.3 -1.6 140 144 A A H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 109.4 47.9 -54.9 -45.9 11.8 45.4 1.2 141 145 A E H X S+ 0 0 11 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.800 110.3 51.2 -71.0 -30.1 10.5 42.2 3.0 142 146 A L H >X S+ 0 0 0 -4,-1.5 4,-0.9 -5,-0.2 3,-0.8 0.955 109.3 50.4 -66.7 -50.2 13.9 40.4 2.7 143 147 A R H >< S+ 0 0 154 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.901 106.4 57.7 -51.3 -45.5 15.7 43.4 4.2 144 148 A K H 3< S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 101.0 55.1 -56.7 -35.6 13.2 43.4 7.0 145 149 A L H << S- 0 0 17 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.755 88.9-168.0 -70.0 -25.2 14.0 39.8 8.0 146 150 A G XX + 0 0 28 -3,-1.0 4,-2.0 -4,-0.9 3,-0.5 -0.288 45.7 71.3 62.5-158.0 17.7 40.6 8.4 147 151 A G H 3> S- 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 -0.024 113.4 -20.9 58.0-152.9 20.0 37.6 8.7 148 152 A S H 3> S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.822 135.6 57.7 -60.0 -35.7 20.9 35.2 5.8 149 153 A D H X4 S+ 0 0 6 -3,-0.5 3,-0.9 1,-0.2 4,-0.3 0.957 109.5 41.3 -64.1 -52.8 17.8 36.2 3.9 150 154 A A H >< S+ 0 0 13 -4,-2.0 3,-1.7 -8,-0.3 4,-0.3 0.839 106.2 67.4 -61.0 -33.3 18.6 40.0 3.7 151 155 A A H >< S+ 0 0 61 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.778 85.5 70.4 -59.4 -29.3 22.3 39.0 3.0 152 156 A M G X< S+ 0 0 11 -3,-0.9 3,-2.1 -4,-0.9 7,-0.5 0.782 83.5 72.0 -55.5 -29.8 21.2 37.6 -0.4 153 157 A L G < S+ 0 0 29 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.749 97.5 46.6 -66.4 -25.2 20.6 41.1 -1.6 154 158 A A G < S+ 0 0 90 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.318 106.1 69.3 -92.2 6.5 24.3 41.9 -1.7 155 159 A D <> + 0 0 63 -3,-2.1 4,-2.9 1,-0.1 3,-0.2 -0.754 57.9 173.7-127.2 79.4 24.7 38.5 -3.5 156 160 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.757 78.5 59.2 -62.0 -27.3 23.1 38.9 -7.0 157 161 A E H > S+ 0 0 136 2,-0.2 4,-0.9 1,-0.2 -2,-0.0 0.943 114.2 35.2 -64.3 -51.0 24.3 35.4 -8.1 158 162 A L H > S+ 0 0 40 -3,-0.2 4,-1.3 2,-0.2 3,-0.2 0.849 114.1 58.0 -70.3 -38.1 22.4 33.7 -5.2 159 163 A L H >X S+ 0 0 25 -4,-2.9 4,-2.9 -7,-0.5 3,-0.7 0.930 103.7 53.5 -59.2 -44.0 19.5 36.2 -5.5 160 164 A A H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 106.9 54.0 -55.3 -35.9 19.1 35.1 -9.1 161 165 A M H 3< S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.2 4,-0.2 0.795 119.0 30.8 -70.6 -30.2 18.9 31.5 -7.9 162 166 A V H S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.891 112.3 43.3 -54.9 -40.2 12.1 32.7 -9.4 165 169 A A H > S+ 0 0 3 -3,-0.5 4,-2.6 -113,-0.3 -2,-0.2 0.930 113.5 49.3 -71.5 -46.8 10.8 30.7 -6.5 166 170 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 -114,-0.2 5,-0.2 0.931 113.0 48.6 -59.0 -47.0 10.1 33.6 -4.2 167 171 A R H X S+ 0 0 82 -4,-2.9 4,-1.9 -5,-0.2 -34,-0.3 0.919 110.7 51.2 -55.8 -45.7 8.2 35.3 -7.0 168 172 A S H X S+ 0 0 28 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.908 109.6 49.6 -61.0 -42.2 6.2 32.1 -7.7 169 173 A D H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.872 107.2 53.4 -69.5 -35.4 5.2 31.7 -4.1 170 174 A Y H X S+ 0 0 4 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.880 110.5 48.8 -60.9 -38.2 4.0 35.4 -3.9 171 175 A R H X S+ 0 0 122 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.891 108.9 53.0 -67.9 -38.3 1.9 34.6 -6.9 172 176 A A H X S+ 0 0 11 -4,-2.2 4,-0.8 1,-0.2 -107,-0.3 0.884 105.7 54.8 -60.4 -41.2 0.6 31.4 -5.2 173 177 A V H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.4 39.4 -62.7 -37.3 -0.3 33.5 -2.2 174 178 A E H < S+ 0 0 18 -4,-1.4 -2,-0.2 -43,-0.3 -1,-0.2 0.759 112.6 54.5 -86.2 -25.2 -2.5 35.8 -4.4 175 179 A T H < S+ 0 0 103 -4,-2.3 -2,-0.2 -44,-0.2 -1,-0.2 0.620 88.0 120.7 -74.1 -13.0 -3.8 32.9 -6.5 176 180 A Y < - 0 0 16 -4,-0.8 2,-0.4 -5,-0.2 -3,-0.1 -0.256 41.2-176.0 -62.6 133.1 -4.9 31.4 -3.2 177 181 A R - 0 0 156 3,-0.0 -54,-0.1 -2,-0.0 -2,-0.0 -0.989 17.0-138.9-130.3 122.9 -8.6 30.6 -2.6 178 182 A H - 0 0 31 -56,-0.5 -84,-0.0 -2,-0.4 -55,-0.0 -0.292 25.3-108.3 -70.0 158.6 -9.9 29.3 0.7 179 183 A E > - 0 0 114 -2,-0.0 3,-1.1 1,-0.0 -1,-0.1 -0.850 42.9-124.6 -88.5 110.4 -12.5 26.6 0.9 180 184 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.217 86.8 20.7 -58.1 142.8 -15.6 28.5 2.1 181 185 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 28,-0.1 29,-0.0 0.612 88.8 129.7 77.0 14.1 -17.3 27.2 5.3 182 186 A R < - 0 0 86 -3,-1.1 2,-0.3 29,-0.0 -1,-0.3 -0.791 31.7-177.7 -98.5 144.1 -14.4 25.2 6.7 183 187 A R - 0 0 117 -2,-0.3 28,-0.3 -3,-0.1 2,-0.1 -0.997 22.6-134.1-138.0 139.4 -13.1 25.7 10.3 184 188 A V B -g 211 0B 5 26,-2.7 28,-1.9 -2,-0.3 29,-0.4 -0.423 15.7-140.9 -73.7 163.4 -10.2 24.1 12.3 185 189 A D S S+ 0 0 114 26,-0.2 -1,-0.1 -85,-0.2 26,-0.1 0.524 71.3 92.3-106.6 -8.2 -11.2 22.9 15.7 186 190 A C S S- 0 0 10 1,-0.1 27,-0.5 27,-0.1 -73,-0.1 -0.389 90.2 -86.7 -80.7 159.5 -8.0 24.0 17.5 187 191 A P - 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