==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-APR-12 4EO9 . COMPND 2 MOLECULE: 2,3-BISPHOSPHOGLYCERATE-DEPENDENT PHOSPHOGLYCERAT . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM LEPRAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.4 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 0.4 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.8 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 1 0 1 2 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 1 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 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 N 0 0 95 0, 0.0 215,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 140.0 -34.1 24.7 -6.7 2 6 A T + 0 0 60 213,-0.9 2,-0.3 1,-0.2 214,-0.2 0.886 360.0 15.3 -59.3 -39.1 -37.0 22.4 -5.6 3 7 A A E -A 215 0A 1 212,-1.8 212,-3.7 169,-0.0 2,-0.4 -0.993 60.9-150.7-147.9 145.4 -34.4 19.5 -6.3 4 8 A T E -A 214 0A 22 170,-0.4 172,-2.1 -2,-0.3 2,-0.4 -0.943 12.8-171.7-117.6 131.9 -30.8 18.7 -6.9 5 9 A L E -Ab 213 176A 0 208,-2.7 208,-3.3 -2,-0.4 2,-0.4 -0.989 5.8-161.1-129.4 125.0 -29.6 15.7 -9.0 6 10 A I E -Ab 212 177A 0 170,-3.0 172,-2.6 -2,-0.4 2,-0.5 -0.920 1.8-162.1-118.9 131.4 -26.0 14.7 -9.1 7 11 A L E +Ab 211 178A 6 204,-2.2 204,-2.3 -2,-0.4 2,-0.4 -0.939 10.1 176.8-120.3 125.3 -24.5 12.5 -11.9 8 12 A L E - b 0 179A 0 170,-2.4 172,-2.0 -2,-0.5 2,-0.4 -0.978 14.6-157.6-133.2 119.2 -21.2 10.7 -11.6 9 13 A R E - b 0 180A 57 197,-0.5 199,-2.7 -2,-0.4 172,-0.2 -0.824 31.4-113.4 -88.2 134.7 -19.7 8.4 -14.1 10 14 A H - 0 0 8 170,-1.8 3,-0.1 -2,-0.4 172,-0.1 -0.145 30.9-117.1 -63.4 160.6 -17.2 5.9 -12.7 11 15 A G - 0 0 1 22,-0.4 22,-0.2 50,-0.2 -1,-0.1 -0.057 55.7 -28.9 -89.5-165.8 -13.5 6.0 -13.6 12 16 A E - 0 0 54 17,-0.1 18,-2.4 20,-0.1 21,-0.4 -0.090 54.3-161.4 -56.7 128.9 -11.1 3.7 -15.4 13 17 A S B > -G 29 0B 0 16,-0.3 4,-2.2 -3,-0.1 16,-0.3 -0.594 37.2-102.0 -95.7 168.5 -11.6 -0.1 -15.2 14 18 A D H > S+ 0 0 63 14,-2.2 4,-1.2 1,-0.2 15,-0.1 0.832 124.8 49.2 -57.7 -33.4 -9.2 -2.9 -16.0 15 19 A W H 4>S+ 0 0 33 13,-0.4 5,-3.0 2,-0.2 -1,-0.2 0.777 104.9 55.5 -86.5 -24.6 -10.8 -3.3 -19.4 16 20 A N H >45S+ 0 0 72 3,-0.2 3,-1.4 -3,-0.2 -2,-0.2 0.915 106.8 53.1 -59.3 -44.8 -10.7 0.4 -20.2 17 21 A A H 3<5S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.882 114.8 40.0 -61.8 -35.7 -7.0 0.2 -19.6 18 22 A R T 3<5S- 0 0 157 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.312 111.6-118.3 -92.8 6.0 -6.7 -2.8 -22.1 19 23 A N T < 5 + 0 0 130 -3,-1.4 80,-0.5 1,-0.2 2,-0.4 0.858 61.6 149.7 57.4 40.6 -9.2 -1.3 -24.6 20 24 A L < - 0 0 39 -5,-3.0 2,-0.5 78,-0.1 78,-0.2 -0.849 53.9-112.8-103.9 140.6 -11.6 -4.1 -24.3 21 25 A F + 0 0 34 76,-2.5 75,-2.9 -2,-0.4 76,-0.3 -0.575 39.0 178.2 -72.4 120.1 -15.4 -3.7 -24.8 22 26 A T > + 0 0 9 -2,-0.5 3,-1.9 73,-0.2 2,-0.2 0.944 13.6 155.3 -93.9 -57.5 -17.0 -4.3 -21.4 23 27 A G T 3 S- 0 0 2 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.457 84.8 -12.0 59.1-126.4 -20.8 -3.8 -21.4 24 28 A W T 3 S+ 0 0 2 -2,-0.2 2,-0.3 107,-0.1 -1,-0.3 0.382 98.2 124.0 -88.7 0.3 -22.2 -5.8 -18.5 25 29 A V < - 0 0 13 -3,-1.9 2,-1.9 1,-0.1 71,-0.1 -0.531 69.3-127.1 -61.5 125.4 -19.0 -7.8 -17.9 26 30 A D + 0 0 50 -2,-0.3 -1,-0.1 34,-0.1 -2,-0.1 -0.387 44.4 167.5 -85.5 66.5 -18.5 -7.0 -14.2 27 31 A V - 0 0 16 -2,-1.9 34,-0.6 1,-0.1 2,-0.1 -0.333 29.0-116.3 -84.5 160.9 -14.9 -5.7 -14.2 28 32 A G - 0 0 18 1,-0.1 -14,-2.2 32,-0.1 -13,-0.4 -0.340 27.6 -99.2 -89.6 167.7 -13.0 -3.9 -11.4 29 33 A L B -G 13 0B 21 -16,-0.3 -16,-0.3 -15,-0.1 2,-0.1 -0.522 31.2-127.6 -76.8 148.4 -11.5 -0.4 -11.2 30 34 A T > - 0 0 21 -18,-2.4 4,-2.3 -2,-0.2 5,-0.2 -0.430 37.2 -96.7 -78.7 172.6 -7.8 0.3 -11.7 31 35 A D H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.868 130.5 52.8 -56.5 -37.0 -5.9 2.2 -9.1 32 36 A K H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 105.2 53.4 -73.9 -33.6 -6.4 5.3 -11.2 33 37 A G H > S+ 0 0 0 -21,-0.4 4,-1.8 1,-0.2 -22,-0.4 0.919 109.5 50.1 -59.3 -44.1 -10.2 4.6 -11.3 34 38 A R H X S+ 0 0 118 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.870 106.8 53.3 -59.3 -39.7 -10.1 4.4 -7.5 35 39 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.865 107.4 52.3 -69.9 -32.9 -8.3 7.7 -7.2 36 40 A E H X S+ 0 0 36 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.910 108.1 51.5 -67.2 -37.7 -11.0 9.3 -9.4 37 41 A A H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.941 111.0 47.0 -64.2 -46.4 -13.6 7.9 -7.0 38 42 A V H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.950 112.5 51.4 -58.3 -45.7 -11.7 9.5 -4.0 39 43 A R H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 106.8 51.9 -60.6 -42.3 -11.4 12.8 -5.9 40 44 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 107.3 54.0 -66.8 -34.3 -15.1 12.9 -6.7 41 45 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.917 106.9 51.0 -59.4 -43.2 -15.8 12.4 -3.0 42 46 A E H X S+ 0 0 75 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.908 109.1 52.0 -59.2 -40.5 -13.6 15.4 -2.2 43 47 A L H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.928 107.7 50.4 -66.5 -41.7 -15.5 17.4 -4.7 44 48 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.923 114.2 45.9 -59.8 -42.1 -18.9 16.5 -3.2 45 49 A A H ><5S+ 0 0 41 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.964 108.8 53.9 -65.0 -50.2 -17.5 17.5 0.3 46 50 A E H 3<5S+ 0 0 121 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 114.3 42.7 -54.7 -32.0 -15.9 20.8 -0.9 47 51 A H T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.319 106.6-127.9 -97.8 6.7 -19.3 21.8 -2.4 48 52 A N T < 5 + 0 0 135 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.853 59.1 146.7 48.9 44.6 -21.2 20.6 0.7 49 53 A L < + 0 0 24 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.779 18.1 169.9-114.8 79.2 -23.5 18.6 -1.6 50 54 A L - 0 0 44 -2,-0.8 125,-0.2 -3,-0.1 2,-0.0 -0.861 27.9-130.7-105.2 122.3 -24.3 15.6 0.4 51 55 A P - 0 0 0 0, 0.0 125,-0.2 0, 0.0 3,-0.1 -0.332 7.2-148.5 -76.7 148.7 -27.0 13.4 -1.1 52 56 A D S S+ 0 0 64 123,-2.6 2,-0.3 1,-0.2 124,-0.2 0.727 86.9 17.3 -80.7 -23.6 -30.0 12.1 0.8 53 57 A V E -c 176 0A 4 122,-1.2 124,-2.2 25,-0.2 2,-0.4 -0.992 68.6-143.4-149.7 146.0 -30.0 8.9 -1.3 54 58 A L E -cd 177 80A 5 25,-2.7 27,-2.1 -2,-0.3 2,-0.4 -0.943 10.5-167.3-112.8 135.7 -27.6 7.0 -3.6 55 59 A Y E +cd 178 81A 9 122,-2.9 124,-2.4 -2,-0.4 2,-0.3 -0.965 16.0 166.1-116.8 136.6 -28.6 5.1 -6.8 56 60 A T E -cd 179 82A 0 25,-2.1 27,-1.7 -2,-0.4 30,-0.2 -0.932 34.1-109.9-137.6 167.0 -26.2 2.7 -8.6 57 61 A S - 0 0 0 122,-0.9 27,-0.2 -2,-0.3 -1,-0.1 -0.077 40.0-105.9 -71.4-172.2 -26.0 0.1 -11.2 58 62 A L S S+ 0 0 37 25,-0.3 2,-0.4 24,-0.1 26,-0.1 0.285 87.9 107.6 -99.1 8.5 -25.4 -3.6 -10.3 59 63 A L S >> S- 0 0 0 1,-0.1 4,-2.1 -34,-0.0 3,-1.9 -0.755 71.4-134.7 -97.3 132.3 -21.8 -3.3 -11.7 60 64 A R H 3> S+ 0 0 141 -2,-0.4 4,-2.6 1,-0.3 5,-0.4 0.831 102.1 64.7 -56.2 -32.9 -18.9 -3.3 -9.3 61 65 A R H 3> S+ 0 0 6 -34,-0.6 4,-0.8 1,-0.2 -1,-0.3 0.836 111.2 36.3 -61.3 -30.6 -17.1 -0.5 -11.0 62 66 A A H <> S+ 0 0 0 -3,-1.9 4,-2.7 2,-0.2 5,-0.2 0.907 117.5 51.0 -79.9 -46.3 -20.1 1.9 -10.2 63 67 A I H X S+ 0 0 44 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.951 112.9 44.7 -61.2 -54.6 -20.8 0.4 -6.7 64 68 A T H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.871 111.7 53.7 -53.7 -44.4 -17.1 0.7 -5.6 65 69 A T H X S+ 0 0 2 -4,-0.8 4,-2.7 -5,-0.4 -1,-0.2 0.935 110.5 47.3 -54.7 -47.6 -16.8 4.2 -7.0 66 70 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.939 112.8 48.6 -64.1 -46.8 -19.9 5.2 -5.0 67 71 A H H X S+ 0 0 96 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.921 112.5 47.6 -58.1 -46.4 -18.6 3.6 -1.9 68 72 A L H X S+ 0 0 25 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 112.5 49.6 -63.4 -45.4 -15.2 5.3 -2.2 69 73 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 114.6 43.4 -58.2 -46.0 -16.7 8.7 -2.9 70 74 A L H <>S+ 0 0 7 -4,-2.6 5,-3.0 2,-0.2 6,-0.2 0.827 112.2 54.2 -72.1 -32.4 -19.0 8.5 0.1 71 75 A D H ><5S+ 0 0 74 -4,-2.2 3,-1.9 -5,-0.3 -2,-0.2 0.971 109.2 47.0 -65.4 -50.5 -16.3 7.2 2.3 72 76 A T H 3<5S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.890 114.5 48.0 -55.5 -41.0 -14.0 10.1 1.4 73 77 A A T 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.360 111.7-123.2 -80.9 6.3 -16.9 12.5 2.1 74 78 A D T < 5S+ 0 0 135 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.924 79.3 116.7 50.5 52.8 -17.7 10.8 5.4 75 79 A W > < + 0 0 68 -5,-3.0 3,-0.7 1,-0.1 -4,-0.2 -0.253 19.1 131.2-146.4 45.4 -21.3 10.1 4.3 76 80 A L T 3 + 0 0 85 1,-0.2 -5,-0.1 -6,-0.2 -1,-0.1 0.644 56.7 75.6 -79.4 -18.1 -21.6 6.3 4.1 77 81 A W T 3 + 0 0 172 -7,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.551 67.5 111.4 -75.5 -10.8 -24.8 6.0 6.1 78 82 A I S < S- 0 0 6 -3,-0.7 -25,-0.2 1,-0.1 -26,-0.1 -0.207 77.2 -91.9 -69.8 156.8 -27.3 7.1 3.4 79 83 A P - 0 0 44 0, 0.0 -25,-2.7 0, 0.0 2,-0.4 -0.401 40.9-158.9 -67.6 148.9 -29.8 4.7 1.7 80 84 A V E -d 54 0A 45 -27,-0.2 2,-0.4 -3,-0.1 -25,-0.2 -0.980 11.4-176.7-129.6 138.5 -28.7 3.0 -1.4 81 85 A R E -d 55 0A 144 -27,-2.1 -25,-2.1 -2,-0.4 2,-0.4 -0.990 7.9-165.9-135.3 144.1 -30.7 1.5 -4.1 82 86 A R E +d 56 0A 109 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.958 7.7 175.9-130.9 150.3 -29.5 -0.4 -7.2 83 87 A S > - 0 0 14 -27,-1.7 3,-1.7 -2,-0.4 -25,-0.3 -0.993 40.2-128.3-152.5 151.4 -30.9 -1.6 -10.4 84 88 A W G > S+ 0 0 42 -2,-0.3 3,-1.6 1,-0.3 -26,-0.1 0.705 104.6 76.2 -65.7 -16.5 -29.9 -3.2 -13.6 85 89 A R G 3 S+ 0 0 67 1,-0.3 -1,-0.3 73,-0.1 -28,-0.1 0.621 91.0 53.0 -74.9 -14.7 -31.6 -0.3 -15.4 86 90 A L G < S+ 0 0 1 -3,-1.7 95,-0.5 -30,-0.2 -1,-0.3 0.474 86.8 119.2 -94.1 -3.5 -28.6 1.8 -14.5 87 91 A N S < S- 0 0 0 -3,-1.6 3,-0.1 -4,-0.2 -63,-0.1 -0.165 73.4 -99.5 -57.2 151.2 -26.2 -0.7 -16.1 88 92 A E - 0 0 21 -65,-0.3 -1,-0.1 1,-0.2 2,-0.0 -0.163 59.2 -72.3 -52.8 161.9 -24.0 0.3 -19.0 89 93 A R - 0 0 19 -66,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.402 50.6-114.4 -58.1 140.0 -25.2 -0.7 -22.4 90 94 A H - 0 0 2 -67,-0.2 59,-1.6 60,-0.2 -67,-0.1 -0.671 23.1-152.8 -73.2 129.9 -24.9 -4.4 -23.1 91 95 A Y > - 0 0 42 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.350 21.4-149.8 -96.1 7.4 -22.3 -4.7 -25.8 92 96 A G G > - 0 0 0 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 -0.274 69.3 -9.5 64.1-146.2 -23.6 -8.0 -27.2 93 97 A A G 3 S+ 0 0 12 30,-3.0 -1,-0.3 1,-0.3 33,-0.1 0.626 127.0 75.0 -64.8 -10.5 -21.1 -10.3 -28.9 94 98 A L G X + 0 0 3 -3,-1.5 3,-2.3 29,-0.4 2,-0.4 0.593 65.9 118.3 -72.5 -10.3 -18.6 -7.4 -28.7 95 99 A Q T < S+ 0 0 5 -3,-2.4 -73,-0.2 1,-0.3 36,-0.2 -0.444 86.3 9.6 -63.2 115.8 -18.2 -8.1 -24.9 96 100 A G T 3 S+ 0 0 19 -75,-2.9 -1,-0.3 -2,-0.4 2,-0.1 0.433 108.1 109.0 93.4 2.4 -14.5 -9.1 -24.3 97 101 A L < - 0 0 24 -3,-2.3 -76,-2.5 -76,-0.3 -1,-0.4 -0.453 54.5-145.0 -98.2 175.4 -13.4 -8.1 -27.8 98 102 A D > - 0 0 55 -78,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.754 37.0 -86.6-128.6 178.7 -11.3 -5.2 -28.9 99 103 A K H > S+ 0 0 124 -80,-0.5 4,-2.7 -2,-0.2 5,-0.2 0.950 123.2 47.2 -50.7 -55.0 -11.2 -3.0 -32.0 100 104 A A H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 113.7 44.6 -62.1 -46.6 -9.0 -5.3 -34.1 101 105 A V H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 114.7 49.6 -67.5 -36.6 -10.8 -8.6 -33.4 102 106 A T H X>S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.960 110.3 50.5 -65.4 -49.9 -14.3 -7.0 -34.0 103 107 A K H X5S+ 0 0 61 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.2 47.7 -54.1 -46.3 -13.2 -5.5 -37.3 104 108 A A H <5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 115.7 44.0 -66.2 -37.2 -11.8 -8.9 -38.4 105 109 A R H <5S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.877 132.2 14.9 -75.2 -35.9 -15.0 -10.8 -37.4 106 110 A Y H <5S- 0 0 68 -4,-2.5 4,-0.5 1,-0.2 -3,-0.2 0.520 106.0-110.5-121.3 -11.9 -17.7 -8.4 -38.7 107 111 A G X< - 0 0 30 -4,-2.3 4,-1.5 -5,-0.5 -1,-0.2 0.006 30.7 -84.3 95.5 160.4 -16.0 -6.0 -41.1 108 112 A E H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.825 120.9 60.0 -69.4 -33.2 -15.2 -2.3 -40.8 109 113 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.942 110.3 39.6 -65.6 -48.4 -18.6 -1.2 -42.1 110 114 A R H > S+ 0 0 90 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.860 112.2 56.6 -66.1 -39.5 -20.6 -2.9 -39.3 111 115 A F H X S+ 0 0 11 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.948 111.3 44.5 -60.7 -41.8 -18.1 -2.0 -36.6 112 116 A M H X S+ 0 0 109 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.895 111.6 53.4 -67.9 -40.9 -18.6 1.7 -37.6 113 117 A A H X S+ 0 0 23 -4,-2.2 4,-1.8 1,-0.2 3,-0.2 0.938 111.4 44.9 -57.4 -49.8 -22.4 1.3 -37.7 114 118 A W H < S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.2 57.3 -67.5 -32.3 -22.6 -0.1 -34.2 115 119 A R H < S+ 0 0 177 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.882 122.4 22.0 -67.2 -38.2 -20.2 2.4 -32.7 116 120 A R H < S+ 0 0 68 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.504 95.6 109.1-109.5 -10.3 -22.2 5.5 -33.7 117 121 A S < - 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