==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-08 3FLA . COMPND 2 MOLECULE: RIFR; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS MEDITERRANEI; . AUTHOR J.L.SMITH,D.L.AKEY . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 2 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 . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 3 3 0 2 2 0 1 5 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 5 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 PARALLEL BRIDGES PER LADDER . 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 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 H > 0 0 144 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.9 20.8 46.3 54.4 2 3 A R H > + 0 0 164 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.897 360.0 55.0 -58.8 -45.0 21.9 49.9 53.7 3 4 A P H > S+ 0 0 103 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.900 112.5 43.8 -55.1 -40.6 25.2 48.6 52.2 4 5 A E H >4 S+ 0 0 118 2,-0.2 3,-1.4 1,-0.2 4,-0.5 0.932 112.1 52.5 -66.2 -48.8 23.1 46.4 49.8 5 6 A A H >< S+ 0 0 13 -4,-2.9 3,-1.9 1,-0.3 4,-0.3 0.884 102.0 60.3 -52.5 -43.1 20.7 49.2 49.1 6 7 A E H >< S+ 0 0 74 -4,-2.9 3,-0.8 1,-0.3 -1,-0.3 0.703 90.3 69.7 -64.1 -20.4 23.6 51.5 48.2 7 8 A K T << S+ 0 0 91 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.747 97.4 54.1 -61.3 -26.2 24.5 49.0 45.4 8 9 A W T < S+ 0 0 10 -3,-1.9 44,-2.2 -4,-0.5 2,-0.4 0.557 105.3 59.3 -86.0 -12.6 21.3 50.2 43.6 9 10 A L E < -A 51 0A 5 -3,-0.8 2,-0.4 -4,-0.3 42,-0.2 -0.957 55.3-166.5-127.9 139.9 22.2 53.9 43.6 10 11 A R E -A 50 0A 48 40,-2.4 40,-2.8 -2,-0.4 2,-0.7 -0.993 4.1-164.9-120.6 128.1 24.9 56.1 42.3 11 12 A R + 0 0 72 -2,-0.4 3,-0.3 38,-0.2 38,-0.1 -0.862 10.6 176.2-110.4 93.5 25.3 59.7 43.4 12 13 A F S S+ 0 0 57 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.665 75.9 24.2 -73.8 -18.9 27.6 61.3 40.9 13 14 A E S S- 0 0 72 35,-0.3 35,-0.3 2,-0.0 -1,-0.3 -0.830 82.2-137.4-150.9 102.5 27.4 64.8 42.4 14 15 A R - 0 0 136 -2,-0.3 3,-0.1 -3,-0.3 -2,-0.0 -0.391 19.1-176.6 -62.0 134.7 26.5 65.2 46.0 15 16 A A > + 0 0 2 1,-0.1 3,-2.0 -2,-0.1 32,-0.1 -0.707 4.2 177.9-134.5 80.0 24.0 68.0 46.6 16 17 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.758 82.2 46.0 -60.1 -26.8 23.6 68.2 50.4 17 18 A D T 3 S+ 0 0 150 27,-0.1 2,-0.1 -3,-0.1 -3,-0.0 0.023 80.5 144.8-105.8 26.1 21.2 71.1 50.1 18 19 A A < - 0 0 2 -3,-2.0 28,-0.2 1,-0.1 27,-0.2 -0.366 46.0-147.7 -63.3 140.1 19.0 69.8 47.3 19 20 A R S S+ 0 0 143 26,-2.4 2,-0.3 1,-0.2 27,-0.2 0.666 83.9 12.5 -77.7 -20.6 15.3 70.7 47.5 20 21 A A E -b 46 0A 6 25,-0.9 27,-2.3 65,-0.1 2,-0.4 -0.984 67.6-135.4-149.2 152.4 14.4 67.4 45.8 21 22 A R E -bc 47 87A 22 65,-2.1 67,-3.1 -2,-0.3 2,-0.6 -0.927 19.3-151.1-106.4 141.4 16.1 64.1 45.0 22 23 A L E -bc 48 88A 0 25,-2.9 27,-2.8 -2,-0.4 2,-0.6 -0.955 3.6-149.5-116.3 111.5 15.4 62.7 41.5 23 24 A V E -bc 49 89A 0 65,-3.2 67,-3.2 -2,-0.6 2,-0.5 -0.730 16.5-156.7 -80.4 119.0 15.5 59.0 41.1 24 25 A C E -bc 50 90A 0 25,-2.7 27,-2.8 -2,-0.6 67,-0.2 -0.887 6.9-165.9-108.4 122.5 16.7 58.2 37.6 25 26 A L E - c 0 91A 0 65,-2.9 67,-2.0 -2,-0.5 70,-0.2 -0.913 13.7-140.9-115.0 111.3 15.7 54.9 36.1 26 27 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.206 16.8-107.1 -69.8 161.2 17.5 53.7 32.9 27 28 A H > - 0 0 3 1,-0.2 3,-2.3 67,-0.2 66,-0.1 -0.201 58.6 -62.7 -66.3 167.3 16.2 51.9 29.8 28 29 A A T 3 S+ 0 0 22 1,-0.3 -1,-0.2 144,-0.1 141,-0.1 -0.365 131.2 17.3 -50.3 130.1 16.9 48.3 29.0 29 30 A G T 3 S+ 0 0 7 1,-0.3 2,-0.3 139,-0.2 -1,-0.3 0.432 104.3 118.0 79.7 -1.1 20.7 48.0 28.4 30 31 A G < - 0 0 0 -3,-2.3 23,-0.3 139,-0.1 -1,-0.3 -0.794 46.4-160.7-103.2 142.6 21.3 51.3 30.2 31 32 A S > - 0 0 0 -2,-0.3 3,-1.9 -3,-0.1 4,-0.3 -0.608 38.9 -91.3-115.2 174.7 23.2 51.7 33.4 32 33 A A G > S+ 0 0 0 1,-0.3 3,-2.4 -2,-0.2 19,-0.1 0.849 118.0 69.9 -51.0 -39.4 23.5 54.4 36.2 33 34 A S G > S+ 0 0 21 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.671 79.0 78.0 -57.0 -23.3 26.3 56.1 34.3 34 35 A F G < S+ 0 0 45 -3,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.821 95.2 49.4 -52.9 -31.4 23.8 57.2 31.6 35 36 A F G <> S+ 0 0 4 -3,-2.4 4,-2.5 -4,-0.3 -1,-0.3 0.269 76.5 105.5 -98.0 12.4 22.7 59.9 34.1 36 37 A F H <> S+ 0 0 93 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.933 83.4 46.2 -57.5 -49.1 26.1 61.3 34.9 37 38 A P H > S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 111.9 52.8 -60.6 -37.6 25.6 64.5 32.8 38 39 A L H > S+ 0 0 17 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 105.0 53.7 -66.2 -43.3 22.2 65.0 34.4 39 40 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.917 112.6 45.0 -53.8 -45.6 23.5 64.7 37.9 40 41 A K H < S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 113.9 50.4 -66.9 -38.1 26.0 67.5 37.1 41 42 A A H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 114.0 41.9 -70.9 -34.8 23.3 69.6 35.3 42 43 A L H X S+ 0 0 10 -4,-2.5 4,-1.8 -5,-0.1 3,-0.4 0.684 93.3 128.8 -92.1 -20.4 20.7 69.5 38.1 43 44 A A T < + 0 0 20 -4,-1.5 4,-0.1 1,-0.3 -28,-0.1 -0.453 55.3 27.6 -70.4 153.5 23.0 70.0 41.2 44 45 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -27,-0.1 -0.998 128.9 38.8 -84.8 -10.8 23.1 71.8 43.5 45 46 A A T 4 S+ 0 0 38 -3,-0.4 -26,-2.4 -27,-0.2 -25,-0.9 0.733 123.8 33.5 -74.3 -25.4 19.3 72.3 43.7 46 47 A V E < S- b 0 20A 6 -4,-1.8 2,-0.6 -28,-0.2 -25,-0.2 -1.000 72.7-144.7-134.3 132.7 18.4 68.7 42.8 47 48 A E E - b 0 21A 4 -27,-2.3 -25,-2.9 -2,-0.4 2,-0.4 -0.878 14.5-145.6-100.3 118.5 20.2 65.6 43.7 48 49 A V E - b 0 22A 1 -2,-0.6 2,-0.6 -35,-0.3 -35,-0.3 -0.666 9.5-167.1 -81.8 129.7 20.2 62.8 41.1 49 50 A L E - b 0 23A 0 -27,-2.8 -25,-2.7 -2,-0.4 2,-0.5 -0.949 15.2-155.6-112.5 105.0 20.2 59.2 42.4 50 51 A A E -Ab 10 24A 0 -40,-2.8 -40,-2.4 -2,-0.6 2,-0.4 -0.717 12.9-129.2 -91.0 127.6 21.0 57.1 39.4 51 52 A V E -A 9 0A 0 -27,-2.8 2,-0.7 -2,-0.5 -42,-0.2 -0.638 15.2-162.6 -84.7 126.0 19.7 53.6 39.6 52 53 A Q - 0 0 0 -44,-2.2 -21,-0.1 -2,-0.4 3,-0.1 -0.912 14.0-155.5-103.0 103.0 22.0 50.6 38.9 53 54 A Y > - 0 0 2 -2,-0.7 3,-1.5 -23,-0.3 6,-0.2 -0.455 33.7 -88.7 -72.1 151.1 19.9 47.5 38.2 54 55 A P T 3 S+ 0 0 8 0, 0.0 11,-0.4 0, 0.0 6,-0.1 -0.301 116.7 39.3 -53.1 142.8 21.5 44.0 38.9 55 56 A G T 3 S+ 0 0 4 4,-2.3 2,-0.4 1,-0.3 5,-0.2 0.287 93.2 117.6 97.9 -8.2 23.4 42.8 35.8 56 57 A R S X S- 0 0 2 -3,-1.5 3,-3.6 3,-0.2 -1,-0.3 -0.808 82.7 -57.9-103.2 131.3 24.7 46.3 35.0 57 58 A Q G > S+ 0 0 46 -2,-0.4 3,-2.0 1,-0.3 4,-0.1 -0.133 134.2 14.6 49.0-116.1 28.3 47.4 34.9 58 59 A D G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.720 132.1 54.4 -63.7 -19.2 29.8 46.7 38.3 59 60 A R G X S+ 0 0 5 -3,-3.6 -4,-2.3 -6,-0.2 3,-1.5 0.102 72.9 121.0 -96.8 21.5 26.8 44.5 38.9 60 61 A R T < + 0 0 96 -3,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.729 68.5 54.3 -62.3 -26.2 27.4 42.4 35.7 61 62 A H T 3 S+ 0 0 143 -3,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.631 88.2 93.4 -84.9 -15.7 27.7 39.1 37.5 62 63 A E S < S- 0 0 48 -3,-1.5 3,-0.1 -6,-0.1 -3,-0.0 -0.608 87.0-110.7 -75.6 135.1 24.3 39.4 39.3 63 64 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.390 40.6 -99.9 -62.4 142.7 21.4 37.8 37.4 64 65 A P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.315 30.9-113.1 -62.3 145.9 19.0 40.3 36.0 65 66 A V - 0 0 18 -11,-0.4 6,-0.1 1,-0.1 110,-0.1 -0.768 33.7-149.0 -77.1 121.5 15.8 40.9 38.0 66 67 A D + 0 0 119 -2,-0.6 2,-0.3 4,-0.1 -1,-0.1 0.362 62.3 45.5 -89.5 4.2 13.4 39.4 35.5 67 68 A S S > S- 0 0 34 1,-0.1 4,-2.0 111,-0.0 5,-0.2 -0.989 71.7-124.7-143.0 153.4 10.2 41.4 36.0 68 69 A I H > S+ 0 0 6 107,-0.4 4,-2.8 -2,-0.3 5,-0.1 0.907 114.4 52.9 -56.3 -44.2 9.0 45.0 36.5 69 70 A G H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.862 107.5 50.5 -62.2 -39.6 7.3 44.0 39.7 70 71 A G H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 111.9 47.5 -65.1 -41.3 10.5 42.4 41.1 71 72 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.939 113.0 49.1 -65.8 -44.9 12.4 45.5 40.3 72 73 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.927 108.4 53.0 -59.1 -49.6 9.7 47.7 41.9 73 74 A N H X S+ 0 0 25 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.909 114.3 42.4 -50.4 -48.6 9.6 45.6 45.1 74 75 A R H >X S+ 0 0 122 -4,-1.8 4,-1.9 1,-0.2 3,-0.5 0.903 112.7 52.4 -69.1 -42.2 13.4 45.9 45.5 75 76 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.807 99.6 63.2 -67.1 -29.6 13.5 49.6 44.6 76 77 A L H 3< S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.867 107.4 43.9 -60.5 -37.5 10.8 50.4 47.2 77 78 A E H X< S+ 0 0 44 -4,-0.9 3,-1.1 -3,-0.5 -2,-0.2 0.902 109.4 57.1 -73.2 -41.6 13.2 49.2 49.9 78 79 A V H 3< S+ 0 0 7 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 107.6 48.7 -52.7 -38.1 16.1 51.1 48.3 79 80 A L T >< S+ 0 0 2 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.501 79.5 100.2 -91.5 -3.3 14.2 54.4 48.5 80 81 A R G X S+ 0 0 48 -3,-1.1 3,-0.7 -4,-0.3 -1,-0.2 0.829 75.3 58.5 -49.3 -43.0 13.1 54.2 52.2 81 82 A P G 3 S+ 0 0 46 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.468 89.3 75.0 -72.5 2.2 15.9 56.5 53.6 82 83 A F G X + 0 0 14 -3,-1.7 3,-1.1 1,-0.2 -61,-0.1 0.149 55.0 110.0-104.6 23.3 15.0 59.6 51.4 83 84 A G T < + 0 0 46 -3,-0.7 -1,-0.2 1,-0.2 4,-0.1 0.435 57.7 82.8 -77.0 0.1 11.8 60.8 53.2 84 85 A D T 3 S+ 0 0 97 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.596 102.5 20.1 -80.7 -14.7 13.5 63.9 54.6 85 86 A R S < S- 0 0 79 -3,-1.1 -65,-0.1 -64,-0.0 -66,-0.1 -0.950 101.7 -72.9-143.3 164.6 13.0 65.8 51.3 86 87 A P - 0 0 60 0, 0.0 -65,-2.1 0, 0.0 2,-0.4 -0.249 44.9-150.5 -56.3 148.1 10.7 65.6 48.3 87 88 A L E -c 21 0A 12 26,-0.3 28,-2.6 -67,-0.2 29,-0.5 -0.986 12.9-174.2-124.8 131.3 11.5 62.7 45.9 88 89 A A E -cd 22 116A 0 -67,-3.1 -65,-3.2 -2,-0.4 2,-0.4 -0.868 14.0-138.3-120.5 160.7 10.8 62.8 42.2 89 90 A L E -cd 23 117A 0 27,-2.5 29,-3.1 -2,-0.3 2,-0.4 -0.953 15.5-177.8-123.5 136.8 11.1 60.0 39.6 90 91 A F E +cd 24 118A 2 -67,-3.2 -65,-2.9 -2,-0.4 2,-0.4 -0.998 11.9 171.2-129.8 130.1 12.5 60.1 36.1 91 92 A G E -cd 25 119A 0 27,-2.4 29,-3.1 -2,-0.4 2,-0.5 -1.000 22.2-149.0-140.3 145.8 12.6 57.1 33.8 92 93 A H E > - d 0 120A 0 -67,-2.0 3,-2.1 -2,-0.4 2,-0.3 -0.951 67.8 -43.1-113.0 129.0 13.3 56.3 30.2 93 94 A S T >> S+ 0 0 17 27,-2.8 4,-1.2 -2,-0.5 3,-1.0 -0.410 143.3 13.7 56.5-115.0 11.5 53.5 28.4 94 95 A X H 3> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.3 3,-0.3 0.874 128.9 59.7 -51.6 -40.6 11.6 50.6 30.9 95 96 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.817 97.5 58.9 -56.4 -35.9 12.5 53.2 33.6 96 97 A A H <> S+ 0 0 0 -3,-1.0 4,-2.1 24,-0.3 -1,-0.2 0.901 107.3 46.4 -60.9 -42.6 9.3 55.1 32.9 97 98 A I H X S+ 0 0 2 -4,-1.2 4,-2.8 -3,-0.3 -2,-0.2 0.924 112.9 48.4 -65.1 -46.6 7.3 52.0 33.8 98 99 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.927 111.0 52.6 -61.2 -43.6 9.3 51.3 36.9 99 100 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.910 110.7 47.0 -55.1 -44.8 8.9 55.0 37.9 100 101 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 112.8 48.2 -65.4 -46.9 5.1 54.7 37.5 101 102 A E H X S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.905 111.9 50.0 -61.5 -43.5 4.9 51.5 39.5 102 103 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.931 110.0 50.8 -58.3 -46.7 7.0 53.0 42.3 103 104 A A H < S+ 0 0 6 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.919 113.1 45.6 -59.8 -43.1 4.8 56.1 42.3 104 105 A L H < S+ 0 0 13 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.875 120.0 39.5 -64.0 -40.7 1.7 54.0 42.6 105 106 A R H X S+ 0 0 19 -4,-2.2 4,-1.7 -5,-0.2 3,-0.3 0.717 91.3 87.8 -86.3 -24.4 3.1 51.7 45.3 106 107 A X T <>S+ 0 0 3 -4,-2.4 5,-2.9 1,-0.2 4,-0.4 0.854 86.7 47.9 -51.6 -50.2 5.0 54.1 47.5 107 108 A P T >45S+ 0 0 60 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.904 115.3 43.7 -62.5 -43.1 2.2 55.2 49.9 108 109 A E T 345S+ 0 0 88 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.738 110.3 58.4 -72.4 -20.7 1.0 51.7 50.7 109 110 A A T 3<5S- 0 0 2 -4,-1.7 -1,-0.2 -3,-0.3 -3,-0.1 0.482 125.3-103.7 -81.6 -6.2 4.6 50.6 51.0 110 111 A G T < 5S+ 0 0 36 -3,-1.1 -2,-0.1 -4,-0.4 -4,-0.1 0.597 81.3 124.5 93.9 13.8 5.1 53.3 53.7 111 112 A L < - 0 0 11 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.842 69.0-101.5-106.1 143.4 7.0 55.9 51.6 112 113 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.275 51.0 -96.2 -55.8 145.3 6.0 59.5 51.2 113 114 A A - 0 0 58 1,-0.1 -26,-0.3 -7,-0.1 -10,-0.1 -0.376 43.6-106.9 -62.4 143.8 4.2 60.0 47.8 114 115 A P - 0 0 10 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.329 17.3-138.6 -69.5 156.8 6.6 61.3 45.1 115 116 A V S S+ 0 0 64 -28,-2.6 2,-0.3 1,-0.3 -27,-0.2 0.630 78.2 4.7 -91.2 -14.8 6.2 65.0 44.0 116 117 A H E -d 88 0A 10 -29,-0.5 -27,-2.5 73,-0.2 2,-0.5 -0.952 55.5-149.5-168.0 143.5 6.6 64.4 40.3 117 118 A L E -de 89 191A 0 73,-2.3 75,-2.6 -2,-0.3 2,-0.6 -0.990 8.3-164.1-121.0 123.6 6.9 61.7 37.6 118 119 A F E -de 90 192A 0 -29,-3.1 -27,-2.4 -2,-0.5 2,-0.7 -0.949 9.1-166.7-104.8 115.2 8.9 62.3 34.4 119 120 A A E -de 91 193A 0 73,-2.2 75,-2.5 -2,-0.6 2,-0.4 -0.901 8.9-175.1-107.9 111.2 8.0 59.6 31.9 120 121 A S E -de 92 194A 0 -29,-3.1 -27,-2.8 -2,-0.7 -24,-0.3 -0.880 58.6 -5.1-110.3 138.2 10.4 59.5 28.9 121 122 A G S S+ 0 0 1 73,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.786 102.2 106.6 61.0 37.2 10.3 57.4 25.8 122 123 A R - 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0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.420 40.0-105.0 -62.4 139.8 1.2 50.7 57.1 311 65 B P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.302 29.0-112.6 -61.5 145.9 -1.2 48.1 58.6 312 66 B V - 0 0 15 -11,-0.4 110,-0.1 1,-0.1 6,-0.1 -0.773 31.4-151.0 -79.4 124.8 -4.5 47.5 56.8 313 67 B D + 0 0 119 -2,-0.6 2,-0.3 109,-0.1 -1,-0.1 0.343 63.3 48.0 -93.1 5.2 -6.9 49.0 59.3 314 68 B S S > S- 0 0 47 1,-0.1 4,-2.1 109,-0.0 5,-0.2 -0.991 70.7-128.3-141.3 152.4 -10.1 46.9 58.7 315 69 B I H > S+ 0 0 5 107,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.900 113.9 55.1 -57.1 -44.2 -11.2 43.3 58.2 316 70 B G H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 107.4 49.0 -56.4 -43.9 -12.9 44.4 55.0 317 71 B G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 111.9 47.7 -63.2 -45.8 -9.7 45.9 53.6 318 72 B L H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.930 112.6 49.7 -62.1 -45.9 -7.7 42.8 54.4 319 73 B T H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.923 107.9 53.4 -58.2 -47.9 -10.4 40.6 52.8 320 74 B N H X S+ 0 0 77 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.924 113.9 42.6 -52.7 -48.5 -10.5 42.8 49.6 321 75 B R H X S+ 0 0 86 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.894 112.6 52.0 -68.4 -41.8 -6.7 42.4 49.2 322 76 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.827 99.9 63.1 -68.1 -30.6 -6.6 38.7 50.1 323 77 B L H < S+ 0 0 4 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.890 108.0 43.5 -58.5 -38.9 -9.3 37.9 47.5 324 78 B E H >< S+ 0 0 112 -4,-1.0 3,-1.1 -3,-0.4 -2,-0.2 0.901 110.4 55.8 -71.3 -42.8 -6.9 39.2 44.8 325 79 B V H 3< S+ 0 0 6 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 107.1 50.5 -53.6 -39.2 -3.9 37.3 46.4 326 80 B L T >< S+ 0 0 1 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.492 79.4 99.3 -88.0 -2.7 -5.7 34.0 46.2 327 81 B R G X S+ 0 0 102 -3,-1.1 3,-0.8 -4,-0.3 -1,-0.2 0.831 75.2 58.1 -55.0 -41.7 -6.8 34.1 42.6 328 82 B P G 3 S+ 0 0 55 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.473 90.6 74.2 -72.7 3.8 -4.0 31.8 41.2 329 83 B F G X + 0 0 15 -3,-1.7 3,-1.1 1,-0.2 -61,-0.1 0.182 57.0 108.4-103.9 21.8 -4.9 28.8 43.4 330 84 B G T < + 0 0 45 -3,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.422 57.8 82.6 -76.8 1.7 -8.1 27.6 41.6 331 85 B D T 3 S+ 0 0 102 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.595 101.9 23.2 -84.2 -11.7 -6.4 24.5 40.2 332 86 B R S < S- 0 0 74 -3,-1.1 -65,-0.1 -64,-0.0 -66,-0.1 -0.953 102.1 -74.4-143.3 161.2 -6.8 22.6 43.5 333 87 B P - 0 0 61 0, 0.0 -65,-2.2 0, 0.0 2,-0.4 -0.220 44.9-150.8 -55.1 147.5 -9.2 22.8 46.5 334 88 B L E -j 268 0C 13 26,-0.3 28,-2.6 -67,-0.2 29,-0.5 -0.987 13.4-175.8-124.8 130.7 -8.5 25.6 48.8 335 89 B A E -j 269 0C 0 -67,-3.1 -65,-3.1 -2,-0.4 2,-0.4 -0.882 15.1-137.6-120.6 160.7 -9.3 25.6 52.6 336 90 B L E -jk 270 364C 0 27,-2.3 29,-2.8 -2,-0.3 2,-0.4 -0.943 15.2-176.6-121.7 139.3 -8.9 28.3 55.1 337 91 B F E +jk 271 365C 3 -67,-3.2 -65,-2.9 -2,-0.4 2,-0.4 -0.996 12.1 172.0-130.9 130.7 -7.6 28.3 58.7 338 92 B G E -jk 272 366C 0 27,-2.3 29,-3.0 -2,-0.4 2,-0.5 -0.999 21.8-150.5-141.4 140.2 -7.6 31.3 61.0 339 93 B H E > - k 0 367C 0 -67,-2.0 3,-1.9 -2,-0.4 2,-0.3 -0.935 68.2 -43.2-108.1 126.7 -6.9 32.0 64.6 340 94 B S T >> S+ 0 0 17 27,-3.0 4,-1.2 -2,-0.5 3,-0.9 -0.413 143.2 13.5 58.7-115.0 -8.7 34.9 66.3 341 95 B X H >> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.3 3,-0.5 0.903 129.0 59.8 -52.8 -43.3 -8.7 37.8 63.8 342 96 B G H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.818 98.0 58.4 -52.0 -37.6 -7.6 35.2 61.2 343 97 B A H <> S+ 0 0 0 -3,-0.9 4,-1.9 24,-0.3 -1,-0.2 0.896 107.6 46.2 -60.5 -42.3 -10.8 33.3 61.8 344 98 B I H S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.2 4,-0.6 0.892 87.8 47.4 -52.7 -53.0 -15.0 34.2 47.2 354 108 B P H >45S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.925 116.2 43.7 -57.5 -47.3 -17.8 33.0 44.9 355 109 B E H 345S+ 0 0 182 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.725 111.2 57.1 -70.3 -20.2 -19.0 36.5 44.0 356 110 B A H 3<5S- 0 0 26 -4,-1.7 -1,-0.2 -3,-0.4 -3,-0.1 0.486 124.5-101.7 -86.0 -5.3 -15.4 37.6 43.7 357 111 B G T <<5S+ 0 0 60 -3,-1.2 -2,-0.1 -4,-0.6 -4,-0.1 0.599 82.7 123.3 94.6 13.1 -14.7 35.0 41.0 358 112 B L < - 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