==== 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 PEPTIDE BINDING PROTEIN 07-NOV-05 2D5W . COMPND 2 MOLECULE: PEPTIDE ABC TRANSPORTER, PEPTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.MORITA . 1214 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 1 0.1 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 . 98 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.8 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 10 2 4 0 0 4 8 0 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 0 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 PARALLEL BRIDGES PER LADDER . 14 6 2 2 4 6 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 4 2 0 0 0 0 0 0 0 1 1 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 1 A M > 0 0 134 0, 0.0 4,-0.8 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -25.9 7.1 45.7 10.3 2 2 A G H >> + 0 0 1 2,-0.2 5,-1.7 4,-0.1 4,-1.2 0.941 360.0 27.0 -86.0 -68.4 10.6 45.9 11.9 3 3 A P H 45S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 581,-0.1 0.751 115.7 72.7 -64.9 -22.0 12.8 47.2 9.1 4 4 A Q H 45S+ 0 0 136 1,-0.2 -2,-0.2 3,-0.1 0, 0.0 0.974 118.5 10.3 -55.4 -64.1 9.6 48.8 7.8 5 5 A D H <5S- 0 0 97 -4,-0.8 -1,-0.2 -3,-0.2 240,-0.2 0.325 106.9-116.4-100.2 5.3 9.3 51.5 10.4 6 6 A N T <5 + 0 0 7 -4,-1.2 239,-2.7 1,-0.2 240,-0.8 0.954 67.6 135.6 58.9 56.0 12.7 50.9 11.8 7 7 A S E < -a 246 0A 12 -5,-1.7 2,-0.4 -6,-0.3 240,-0.2 -0.808 48.5-138.2-129.0 169.9 11.6 49.8 15.2 8 8 A L E -a 247 0A 0 238,-2.0 240,-2.8 -2,-0.3 2,-0.6 -0.961 11.0-165.8-134.9 114.0 12.3 47.1 17.8 9 9 A V E -a 248 0A 27 -2,-0.4 260,-1.8 238,-0.2 259,-1.2 -0.897 9.9-167.9-103.5 120.9 9.6 45.4 19.8 10 10 A I E -ab 249 269A 0 238,-3.0 240,-2.9 -2,-0.6 2,-0.4 -0.923 10.4-143.3-112.0 129.8 10.9 43.4 22.8 11 11 A G E +ab 250 270A 0 258,-2.3 260,-2.7 -2,-0.5 2,-0.3 -0.778 22.9 172.3 -96.6 135.3 8.7 41.0 24.7 12 12 A A E -a 251 0A 0 238,-2.6 240,-2.5 -2,-0.4 262,-0.3 -0.965 31.5-150.1-138.0 153.4 8.9 40.6 28.5 13 13 A S S S+ 0 0 7 260,-2.1 2,-0.3 -2,-0.3 430,-0.2 0.368 83.9 51.4-103.8 2.2 7.0 38.7 31.1 14 14 A Q - 0 0 12 259,-0.6 259,-0.1 429,-0.1 238,-0.1 -0.981 69.2-148.9-138.1 148.9 7.6 41.1 34.0 15 15 A E - 0 0 29 -2,-0.3 18,-0.1 236,-0.1 17,-0.1 -0.940 26.7-105.6-122.0 140.3 7.2 44.9 34.2 16 16 A P - 0 0 3 0, 0.0 428,-0.1 0, 0.0 3,-0.1 -0.348 17.9-148.5 -61.0 140.9 9.2 47.5 36.2 17 17 A R S S+ 0 0 122 1,-0.2 2,-0.3 426,-0.1 427,-0.1 0.864 85.1 3.7 -76.3 -36.7 7.3 48.7 39.3 18 18 A V S S- 0 0 5 180,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.899 77.1-154.0-139.4 166.3 9.1 52.1 39.0 19 19 A L - 0 0 0 178,-2.0 2,-2.5 -2,-0.3 4,-0.1 -0.998 51.8 -10.5-151.4 149.9 11.6 53.4 36.4 20 20 A A S S+ 0 0 3 -2,-0.3 177,-0.2 1,-0.2 3,-0.1 -0.276 115.7 60.7 67.8 -58.3 14.4 55.9 35.8 21 21 A G S S+ 0 0 0 -2,-2.5 2,-1.8 175,-0.8 -1,-0.2 0.696 84.1 78.3 -75.8 -19.8 14.3 58.0 39.0 22 22 A D > + 0 0 0 1,-0.2 3,-1.9 174,-0.1 -1,-0.2 -0.388 59.4 158.1 -85.1 58.8 14.9 55.1 41.4 23 23 A F T 3 + 0 0 31 -2,-1.8 -1,-0.2 1,-0.3 133,-0.1 0.595 68.3 49.6 -66.5 -13.6 18.6 55.3 40.4 24 24 A L T 3 S- 0 0 13 -3,-0.2 95,-0.5 86,-0.0 -1,-0.3 0.387 106.4-128.9-100.6 0.5 19.9 53.6 43.6 25 25 A R < + 0 0 65 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.1 0.782 64.2 137.6 59.1 32.7 17.4 50.8 42.9 26 26 A V S S+ 0 0 1 1,-0.1 3,-0.2 3,-0.0 -1,-0.1 0.773 74.0 39.2 -79.6 -26.5 16.1 51.0 46.5 27 27 A I S S+ 0 0 4 1,-0.3 422,-2.7 421,-0.1 2,-0.4 0.878 134.6 8.1 -87.1 -45.2 12.4 50.7 45.5 28 28 A S B +L 448 0B 1 420,-0.2 -1,-0.3 -6,-0.2 420,-0.1 -0.989 47.1 173.1-141.5 131.7 13.0 48.1 42.8 29 29 A N + 0 0 5 418,-0.6 419,-0.1 -2,-0.4 -1,-0.1 -0.049 33.2 155.9-120.4 26.6 16.0 46.1 41.7 30 30 A Q > - 0 0 0 1179,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.254 49.1-131.6 -55.6 138.3 14.1 44.0 39.2 31 31 A A H > S+ 0 0 0 1179,-2.9 4,-2.4 1,-0.2 5,-0.2 0.890 108.6 55.6 -59.4 -39.0 16.2 42.6 36.5 32 32 A I H > S+ 0 0 0 1178,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.890 105.3 52.4 -63.9 -36.5 13.7 43.8 33.9 33 33 A K H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.1 46.5 -63.4 -46.1 14.0 47.3 35.2 34 34 A S H X S+ 0 0 2 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.892 111.5 51.5 -64.4 -39.7 17.8 47.2 34.9 35 35 A E H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.6 0.953 111.9 45.6 -62.7 -49.3 17.7 45.8 31.4 36 36 A I H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 4,-0.8 0.898 106.5 60.7 -60.9 -40.3 15.3 48.4 30.1 37 37 A E H 3X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.3 -1,-0.3 0.687 87.7 72.0 -65.2 -16.2 17.3 51.2 31.7 38 38 A Q H << S+ 0 0 29 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.879 98.7 49.9 -63.9 -34.6 20.3 50.3 29.6 39 39 A Y H << S+ 0 0 1 -3,-1.4 174,-2.3 -4,-0.6 -1,-0.2 0.829 119.5 37.0 -69.8 -31.0 18.4 51.8 26.7 40 40 A L H < S+ 0 0 0 -4,-0.8 171,-2.6 1,-0.2 170,-1.1 0.684 121.5 36.8 -95.3 -24.6 17.7 54.9 28.7 41 41 A F < - 0 0 28 -4,-2.8 -1,-0.2 169,-0.3 170,-0.1 -0.987 68.5-154.1-137.4 124.5 20.8 55.5 30.7 42 42 A A - 0 0 1 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.1 -0.744 14.8-129.5-100.6 145.0 24.4 54.8 29.6 43 43 A P - 0 0 25 0, 0.0 14,-2.3 0, 0.0 111,-0.2 -0.319 16.1-124.9 -83.5 169.8 27.4 54.0 31.8 44 44 A F S S+ 0 0 0 109,-2.9 12,-2.5 1,-0.3 14,-2.1 0.903 106.0 22.5 -76.3 -43.9 30.8 55.7 31.8 45 45 A I E S-MN 55 153C 2 108,-1.4 108,-2.4 10,-0.2 -1,-0.3 -0.990 81.5-162.4-124.6 126.2 32.3 52.3 31.3 46 46 A G E -M 54 0C 4 8,-3.1 8,-1.9 -2,-0.4 2,-0.4 -0.438 14.8-131.9-100.4 178.1 30.4 49.4 29.9 47 47 A F E -M 53 0C 17 6,-0.2 523,-3.0 -2,-0.1 524,-0.2 -0.968 27.8-152.7-133.4 115.1 31.0 45.6 29.9 48 48 A N > - 0 0 12 4,-2.6 3,-1.9 -2,-0.4 523,-0.2 -0.141 32.6 -93.2 -86.0-179.8 30.7 43.9 26.6 49 49 A A T 3 S+ 0 0 3 1,-0.3 519,-0.2 2,-0.2 518,-0.2 0.704 123.4 60.5 -63.9 -21.5 29.8 40.3 25.4 50 50 A D T 3 S- 0 0 76 2,-0.1 -1,-0.3 516,-0.1 3,-0.1 0.243 120.1-110.4 -89.3 11.8 33.5 39.4 25.4 51 51 A S S < S+ 0 0 61 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.897 75.5 132.3 60.2 45.0 33.5 40.2 29.1 52 52 A Q - 0 0 106 -4,-0.2 -4,-2.6 98,-0.0 -1,-0.2 -0.970 60.4-117.9-128.6 142.3 35.7 43.3 28.7 53 53 A N E +M 47 0C 47 -2,-0.4 -6,-0.2 -6,-0.2 8,-0.1 -0.497 39.5 177.4 -70.7 144.8 35.3 46.8 30.0 54 54 A F E -M 46 0C 36 -8,-1.9 -8,-3.1 -2,-0.1 2,-0.2 -0.992 32.0 -99.0-148.4 150.2 34.9 49.4 27.2 55 55 A P E +M 45 0C 59 0, 0.0 -10,-0.2 0, 0.0 4,-0.1 -0.499 45.1 153.7 -75.1 137.8 34.3 53.1 27.1 56 56 A V S S- 0 0 2 -12,-2.5 -12,-0.2 -2,-0.2 -11,-0.2 0.439 82.7 -1.8-121.3 -88.9 30.8 54.5 26.7 57 57 A L S S+ 0 0 0 -14,-2.3 31,-3.0 30,-0.1 2,-0.2 0.609 124.7 74.8 -83.6 -8.8 30.3 57.9 28.2 58 58 A A B S-O 87 0D 1 -14,-2.1 29,-0.2 29,-0.3 3,-0.1 -0.648 87.4-123.0 -95.9 159.0 33.8 58.1 29.5 59 59 A T S S- 0 0 61 27,-2.5 2,-0.3 -2,-0.2 28,-0.1 0.807 82.2 -10.8 -72.9 -32.1 36.8 58.6 27.2 60 60 A E S S- 0 0 79 26,-0.3 26,-0.3 -6,-0.1 -1,-0.2 -0.984 73.5 -91.5-166.2 155.9 38.7 55.5 28.0 61 61 A V - 0 0 31 -2,-0.3 2,-0.2 -8,-0.1 7,-0.1 -0.564 47.4-120.4 -73.4 127.6 39.0 52.5 30.4 62 62 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.491 43.3 162.5 -71.4 136.9 41.3 53.3 33.3 63 63 A T > - 0 0 29 -2,-0.2 6,-1.6 1,-0.1 5,-1.2 -0.915 53.4-110.4-145.2 170.3 44.3 51.0 33.7 64 64 A L T > 5S+ 0 0 108 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.887 116.8 61.5 -69.7 -36.5 47.6 50.9 35.4 65 65 A E T 3 5S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.813 109.6 37.4 -59.0 -37.7 49.2 51.2 31.9 66 66 A N T 3 5S- 0 0 61 -5,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.291 112.2-116.5 -99.7 10.6 47.6 54.6 31.2 67 67 A G T < 5S+ 0 0 40 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.548 85.3 115.5 70.4 8.3 48.0 55.8 34.8 68 68 A R < + 0 0 36 -5,-1.2 16,-3.0 -7,-0.1 2,-0.4 0.613 68.7 61.6 -83.7 -12.6 44.3 56.1 35.5 69 69 A L E -P 83 0E 25 -6,-1.6 2,-0.4 14,-0.2 14,-0.2 -0.953 63.8-178.5-114.7 134.2 44.4 53.4 38.1 70 70 A R E -P 82 0E 81 12,-2.1 12,-2.3 -2,-0.4 2,-0.5 -0.981 5.9-168.9-135.2 121.6 46.5 53.7 41.3 71 71 A V E -P 81 0E 70 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.946 8.7-176.6-112.6 123.7 46.8 51.1 43.9 72 72 A T E -P 80 0E 67 8,-2.5 8,-2.3 -2,-0.5 2,-0.5 -0.948 26.6-121.8-122.2 141.3 48.5 52.0 47.2 73 73 A D E -P 79 0E 134 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.686 23.1-178.3 -82.0 124.6 49.2 49.7 50.2 74 74 A I E - 0 0 75 4,-2.0 5,-0.2 -2,-0.5 -1,-0.1 0.192 52.7 -94.1-106.4 14.7 47.5 50.9 53.4 75 75 A G E > S+P 78 0E 44 3,-0.5 3,-1.9 1,-0.0 -1,-0.3 0.043 100.1 60.2 93.3 157.5 48.9 48.1 55.5 76 76 A G T 3 S- 0 0 86 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.678 127.5 -64.1 62.0 18.9 47.8 44.7 56.7 77 77 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 444,-0.0 2,-0.2 0.600 106.8 125.9 81.5 10.3 47.5 43.5 53.1 78 78 A K E < -P 75 0E 78 -3,-1.9 -4,-2.0 443,-0.0 -3,-0.5 -0.662 42.3-154.3-101.1 159.7 44.8 46.0 52.4 79 79 A K E -P 73 0E 47 65,-0.3 65,-2.1 -6,-0.2 2,-0.4 -0.877 17.0-138.3-134.3 164.3 44.7 48.6 49.5 80 80 A R E -P 72 0E 64 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.5 -0.980 23.6-160.5-119.0 128.4 43.4 51.9 48.3 81 81 A L E -PQ 71 141E 9 60,-2.8 60,-3.0 -2,-0.4 2,-0.4 -0.962 5.7-169.2-115.9 130.4 42.3 52.0 44.7 82 82 A E E -PQ 70 140E 23 -12,-2.3 -12,-2.1 -2,-0.5 2,-0.5 -0.968 3.0-168.1-117.5 134.3 41.9 55.3 42.8 83 83 A M E -PQ 69 139E 3 56,-2.5 56,-2.6 -2,-0.4 2,-0.5 -0.950 9.0-151.1-128.5 111.7 40.2 55.3 39.4 84 84 A D E - Q 0 138E 37 -16,-3.0 2,-0.4 -2,-0.5 54,-0.2 -0.710 16.5-176.0 -86.3 122.0 40.4 58.4 37.1 85 85 A I E - Q 0 137E 0 52,-3.0 52,-2.3 -2,-0.5 2,-0.5 -0.947 11.9-159.9-119.9 136.0 37.5 58.8 34.8 86 86 A T E - Q 0 136E 23 -2,-0.4 -27,-2.5 -26,-0.3 2,-0.3 -0.972 17.4-137.3-116.0 120.7 37.1 61.5 32.1 87 87 A I B -O 58 0D 2 48,-3.2 -29,-0.3 -2,-0.5 14,-0.1 -0.595 31.3-105.5 -76.3 133.6 33.6 62.2 30.9 88 88 A R > - 0 0 68 -31,-3.0 3,-1.6 -2,-0.3 11,-0.2 -0.258 22.7-124.3 -56.8 145.1 33.4 62.7 27.1 89 89 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.747 110.9 49.1 -63.9 -22.6 32.9 66.3 26.1 90 90 A D T 3 S+ 0 0 57 -33,-0.1 2,-0.5 8,-0.1 -2,-0.1 0.222 75.0 125.6-102.6 13.3 29.8 65.3 24.1 91 91 A A < + 0 0 0 -3,-1.6 8,-2.4 8,-0.2 2,-0.3 -0.631 40.9 170.2 -73.7 120.6 28.1 63.3 26.9 92 92 A K B -S 98 0F 69 -2,-0.5 2,-0.1 139,-0.5 5,-0.1 -0.981 36.5-119.5-140.3 149.6 24.6 64.9 27.2 93 93 A W > - 0 0 0 4,-3.2 3,-2.2 -2,-0.3 117,-0.2 -0.379 43.0-103.3 -75.6 161.5 21.2 64.4 28.8 94 94 A S T 3 S+ 0 0 18 115,-1.7 -1,-0.1 1,-0.3 116,-0.1 0.638 120.8 60.2 -63.5 -15.0 18.2 64.1 26.5 95 95 A D T 3 S- 0 0 71 2,-0.1 -1,-0.3 114,-0.1 -2,-0.0 0.368 122.6-103.4 -92.9 4.7 17.2 67.7 27.2 96 96 A G S < S+ 0 0 33 -3,-2.2 -2,-0.1 1,-0.3 0, 0.0 0.268 78.7 132.6 95.3 -12.7 20.5 69.0 25.8 97 97 A R - 0 0 127 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.426 61.2-104.4 -72.8 147.7 22.2 69.7 29.1 98 98 A P B -S 92 0F 48 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.372 21.4-125.4 -72.9 149.5 25.7 68.4 29.6 99 99 A I + 0 0 0 -8,-2.4 2,-0.2 -11,-0.2 -8,-0.2 -0.863 48.2 164.2 -92.0 121.9 26.6 65.4 31.7 100 100 A T >> - 0 0 19 -2,-0.6 3,-1.4 35,-0.0 4,-0.8 -0.756 56.0 -89.8-132.8 179.1 29.2 66.6 34.2 101 101 A T H 3> S+ 0 0 5 33,-2.3 4,-2.7 1,-0.3 5,-0.2 0.618 118.0 71.6 -68.6 -10.8 30.9 65.8 37.5 102 102 A E H 3> S+ 0 0 110 32,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.854 96.3 52.0 -70.9 -30.6 28.1 67.7 39.2 103 103 A D H <> S+ 0 0 5 -3,-1.4 4,-1.7 2,-0.2 54,-1.5 0.806 110.6 48.4 -70.8 -30.4 25.9 64.7 38.3 104 104 A V H X S+ 0 0 0 -4,-0.8 4,-2.3 52,-0.2 -2,-0.2 0.919 110.6 48.9 -74.5 -46.7 28.5 62.4 39.8 105 105 A A H X S+ 0 0 40 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.898 111.3 51.8 -59.5 -40.0 28.7 64.4 43.0 106 106 A F H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.939 106.9 51.9 -61.9 -48.8 24.9 64.4 43.2 107 107 A Y H X S+ 0 0 31 -4,-1.7 4,-2.2 50,-0.2 -1,-0.2 0.922 112.2 47.1 -53.7 -47.7 24.8 60.6 42.8 108 108 A F H X S+ 0 0 9 -4,-2.3 4,-2.1 47,-0.2 -1,-0.2 0.871 107.3 55.4 -65.4 -37.2 27.3 60.2 45.7 109 109 A E H X S+ 0 0 82 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.915 111.0 45.0 -63.2 -41.4 25.5 62.6 48.0 110 110 A V H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.932 113.9 48.4 -68.4 -44.3 22.3 60.6 47.7 111 111 A G H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 112.3 50.3 -65.0 -30.0 24.0 57.3 48.1 112 112 A K H 3< S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.532 80.3 123.5 -84.8 -9.0 25.9 58.6 51.2 113 113 A A S X< S- 0 0 17 -3,-0.9 3,-2.0 -4,-0.6 2,-0.2 -0.288 73.2-107.1 -57.4 132.6 22.8 59.9 52.9 114 114 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 3,-0.1 -2,-0.1 -0.410 103.5 14.6 -64.1 129.0 22.4 58.5 56.4 115 115 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.3 -2,-0.2 74,-0.1 0.496 82.4 151.4 86.9 1.1 19.5 56.0 56.5 116 116 A M < - 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