==== 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 METAL TRANSPORT 24-FEB-10 3LX5 . COMPND 2 MOLECULE: FERROUS IRON UPTAKE TRANSPORTER PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR M.R.ASH,A.GUILFOYLE,M.J.MAHER,R.J.CLARKE,J.M.GUSS,M.JORMAKKA . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 0 0 2 0 1 2 1 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 69 0, 0.0 48,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 124.6 0.3 20.9 8.2 2 3 A E E -a 49 0A 24 75,-0.2 77,-3.0 46,-0.2 78,-1.7 -0.868 360.0-173.0-100.4 118.6 1.4 18.7 11.1 3 4 A I E -ab 50 80A 0 46,-2.1 48,-2.7 -2,-0.6 2,-0.5 -0.942 9.3-152.5-114.1 125.4 3.4 20.4 13.9 4 5 A A E -ab 51 81A 0 76,-2.9 78,-2.6 -2,-0.5 2,-0.8 -0.870 10.5-140.0-107.9 124.8 5.0 18.4 16.7 5 6 A L E +ab 52 82A 0 46,-3.0 48,-0.5 -2,-0.5 2,-0.4 -0.710 35.1 172.2 -78.5 108.3 5.6 19.7 20.2 6 7 A I E + b 0 83A 2 76,-1.9 78,-1.9 -2,-0.8 2,-0.3 -0.977 15.6 103.2-125.4 134.3 9.1 18.2 21.0 7 8 A G - 0 0 1 -2,-0.4 49,-1.9 47,-0.3 78,-0.1 -0.955 68.0 -52.1 170.0 168.8 11.2 19.0 24.1 8 9 A N > - 0 0 6 76,-0.5 3,-0.7 -2,-0.3 5,-0.3 -0.205 68.5 -91.8 -59.6 151.6 12.4 17.9 27.5 9 10 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.374 111.5 27.8 -59.3 151.0 9.7 16.8 30.0 10 11 A N T 3 S+ 0 0 77 20,-0.3 -2,-0.1 -3,-0.1 17,-0.0 0.823 85.5 116.2 68.5 35.4 8.4 19.6 32.3 11 12 A S S < S- 0 0 1 -3,-0.7 76,-0.1 -4,-0.1 101,-0.1 0.483 92.6 -96.1-108.3 -6.9 9.2 22.4 29.7 12 13 A G S > S+ 0 0 12 -4,-0.1 4,-2.3 100,-0.1 5,-0.2 0.636 75.8 140.2 100.1 21.1 5.6 23.5 29.1 13 14 A K H > S+ 0 0 13 -5,-0.3 4,-3.0 2,-0.2 5,-0.1 0.966 78.7 38.6 -56.0 -56.0 4.6 21.4 26.0 14 15 A T H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 112.0 58.9 -64.9 -36.5 1.1 20.6 27.1 15 16 A S H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.940 112.1 40.5 -57.3 -46.9 0.6 24.0 28.6 16 17 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.930 112.2 56.3 -66.2 -44.4 1.3 25.5 25.2 17 18 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 6,-0.4 0.894 107.4 49.5 -48.8 -46.0 -0.8 22.8 23.5 18 19 A N H X S+ 0 0 22 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.884 112.6 46.6 -67.0 -41.0 -3.8 23.7 25.6 19 20 A L H < S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.881 115.6 46.6 -63.7 -38.2 -3.5 27.4 24.8 20 21 A I H < S+ 0 0 6 -4,-2.6 23,-2.3 1,-0.2 24,-0.4 0.845 126.4 25.3 -74.9 -35.0 -3.1 26.7 21.1 21 22 A T H < S- 0 0 12 -4,-2.2 -2,-0.2 21,-0.2 -3,-0.2 0.585 98.0-119.4-109.7 -15.9 -5.9 24.2 20.8 22 23 A G < + 0 0 47 -4,-2.2 -4,-0.2 -5,-0.3 -3,-0.1 0.511 69.6 135.7 79.7 4.2 -8.4 25.1 23.6 23 24 A H - 0 0 60 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.269 55.0-140.5 -73.2 171.5 -7.9 21.6 25.0 24 25 A N + 0 0 155 -3,-0.1 3,-0.1 -2,-0.0 -9,-0.1 -0.422 36.7 165.7-130.3 55.2 -7.5 20.9 28.7 25 26 A Q - 0 0 66 -11,-0.2 2,-0.2 1,-0.2 -7,-0.1 -0.245 50.4 -70.0 -67.4 163.7 -4.9 18.1 28.6 26 27 A R + 0 0 206 7,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.345 53.7 177.3 -64.9 123.2 -2.9 17.1 31.7 27 28 A V + 0 0 79 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.985 7.7 163.9-124.2 134.3 -0.4 19.6 32.9 28 29 A G - 0 0 24 -2,-0.4 2,-0.4 2,-0.2 5,-0.2 -0.982 46.9-111.1-151.9 160.9 1.7 19.1 36.1 29 30 A N S S+ 0 0 142 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.094 91.1 71.7 -86.8 33.3 4.8 20.4 37.9 30 31 A W S S- 0 0 143 -2,-0.4 3,-0.4 0, 0.0 -20,-0.3 -0.984 88.0 -97.4-144.8 154.6 6.9 17.2 37.4 31 32 A P S S+ 0 0 65 0, 0.0 -2,-0.1 0, 0.0 -23,-0.0 -0.554 100.5 40.0 -76.4 133.5 8.6 15.5 34.4 32 33 A G + 0 0 39 -2,-0.3 33,-0.0 -4,-0.1 34,-0.0 0.738 66.2 130.3 106.6 31.7 6.7 12.7 32.8 33 34 A V + 0 0 33 -3,-0.4 2,-0.3 -5,-0.2 -6,-0.1 0.975 62.0 59.3 -78.7 -55.5 3.1 13.9 32.8 34 35 A T + 0 0 26 19,-0.2 21,-0.3 1,-0.1 3,-0.1 -0.564 57.0 171.7 -79.3 133.9 2.1 13.3 29.1 35 36 A V + 0 0 77 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.425 59.4 26.7-124.0 -7.0 2.4 9.6 28.2 36 37 A E S S- 0 0 143 32,-0.0 -1,-0.2 33,-0.0 2,-0.2 -0.958 90.2 -79.4-149.0 167.8 0.9 9.3 24.7 37 38 A R - 0 0 105 -2,-0.3 2,-0.4 16,-0.1 16,-0.2 -0.457 37.7-170.3 -69.6 138.1 0.3 11.5 21.6 38 39 A K E -C 52 0A 76 14,-2.2 14,-3.2 -2,-0.2 2,-0.2 -0.992 6.7-156.8-127.3 127.6 -2.6 14.0 21.6 39 40 A S E +C 51 0A 44 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.636 17.2 166.0 -94.5 156.1 -3.6 15.8 18.4 40 41 A G E -C 50 0A 6 10,-1.7 10,-2.8 -2,-0.2 2,-0.2 -0.934 35.6-112.0-163.2 146.1 -5.6 19.0 18.2 41 42 A L E -C 49 0A 89 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.597 37.7-111.0 -76.0 142.0 -6.4 21.6 15.6 42 43 A V E > -C 45 0A 6 6,-2.6 3,-1.0 3,-0.5 6,-0.3 -0.648 25.5-144.7 -69.9 121.6 -4.8 25.1 16.0 43 44 A K T 3 S+ 0 0 122 -23,-2.3 3,-0.3 -2,-0.5 -1,-0.2 0.897 96.1 46.5 -57.5 -44.9 -7.7 27.4 16.9 44 45 A K T 3 S+ 0 0 153 -24,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.522 127.0 27.9 -81.5 -6.4 -6.4 30.4 15.1 45 46 A N E X - C 0 42A 64 -3,-1.0 3,-2.0 3,-0.1 -3,-0.5 -0.630 65.1-170.4-153.6 93.3 -5.5 28.4 12.0 46 47 A K E 3 S+ 0 0 134 -3,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.628 80.8 73.7 -63.4 -16.0 -7.6 25.3 11.4 47 48 A D E 3 S+ 0 0 132 -6,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.503 87.2 78.7 -70.9 -6.8 -5.3 24.1 8.6 48 49 A L E < - 0 0 8 -3,-2.0 -6,-2.6 -6,-0.3 2,-0.6 -0.908 61.5-164.9-109.8 130.1 -2.7 23.2 11.2 49 50 A E E -aC 2 41A 66 -48,-2.8 -46,-2.1 -2,-0.5 2,-0.3 -0.967 14.1-159.5-110.6 115.7 -2.8 20.0 13.4 50 51 A I E -aC 3 40A 0 -10,-2.8 -10,-1.7 -2,-0.6 2,-0.5 -0.701 3.4-146.6 -97.8 148.7 -0.5 20.2 16.4 51 52 A Q E -aC 4 39A 0 -48,-2.7 -46,-3.0 -2,-0.3 2,-0.4 -0.964 1.9-153.8-121.4 122.0 0.7 17.2 18.3 52 53 A D E -aC 5 38A 0 -14,-3.2 -14,-2.2 -2,-0.5 -46,-0.1 -0.769 24.6-179.8 -87.1 132.2 1.4 17.0 22.0 53 54 A L - 0 0 0 -48,-0.5 -19,-0.2 -2,-0.4 -16,-0.1 -0.937 35.1 -89.3-130.9 154.2 4.0 14.3 22.8 54 55 A P - 0 0 3 0, 0.0 -47,-0.3 0, 0.0 -19,-0.1 -0.306 58.0 -95.3 -57.0 145.9 5.7 12.9 26.0 55 56 A G - 0 0 9 -21,-0.3 2,-0.3 -49,-0.1 -47,-0.3 -0.264 39.7-163.4 -62.1 158.9 8.9 14.8 26.8 56 57 A I - 0 0 0 -49,-1.9 3,-0.1 -3,-0.1 40,-0.1 -0.998 19.8-158.9-147.7 134.8 12.3 13.5 25.7 57 58 A Y S S- 0 0 106 -2,-0.3 39,-0.4 1,-0.3 2,-0.3 0.741 78.5 -17.9 -90.2 -24.2 15.8 14.4 26.9 58 59 A S S S- 0 0 19 -51,-0.1 -1,-0.3 37,-0.1 12,-0.1 -0.956 71.6 -93.8-165.0 175.6 17.6 13.2 23.8 59 60 A M S S+ 0 0 0 -2,-0.3 37,-0.0 1,-0.3 -3,-0.0 0.315 119.5 59.6 -85.8 9.3 17.1 10.9 20.8 60 61 A S S S+ 0 0 22 144,-0.1 -1,-0.3 143,-0.0 7,-0.1 -0.526 88.5 177.7-129.3 66.5 18.7 8.0 22.6 61 62 A P - 0 0 23 0, 0.0 -2,-0.1 0, 0.0 -5,-0.0 -0.092 34.7-141.0 -88.2 167.9 16.2 8.0 25.5 62 63 A Y S S+ 0 0 212 -4,-0.0 3,-0.0 -2,-0.0 -6,-0.0 0.140 71.4 56.9-121.1 17.6 15.6 5.8 28.6 63 64 A S S > S- 0 0 40 1,-0.1 4,-1.9 0, 0.0 0, 0.0 -0.982 76.5-118.1-144.2 155.8 11.8 5.4 29.1 64 65 A P H > S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.818 116.4 55.4 -57.7 -33.1 8.9 4.0 27.1 65 66 A E H >> S+ 0 0 74 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.941 107.4 48.1 -69.0 -46.2 7.3 7.5 27.3 66 67 A E H 3> S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.871 105.9 60.0 -57.6 -37.4 10.4 9.0 25.7 67 68 A K H 3X S+ 0 0 34 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.841 96.4 60.9 -61.7 -35.0 10.2 6.3 23.0 68 69 A V H <>S+ 0 0 14 -4,-2.0 3,-0.8 -5,-0.3 5,-0.7 0.948 111.0 46.4 -59.8 -48.4 6.8 9.6 16.3 73 74 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 5,-0.2 0.914 113.3 46.8 -61.1 -45.7 9.6 11.8 15.1 74 75 A L H 3<5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.441 93.7 78.1 -82.9 -0.2 11.4 9.1 13.0 75 76 A S T <<5S- 0 0 62 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.539 100.4-130.2 -77.9 -7.6 8.1 8.0 11.5 76 77 A Q T < 5S+ 0 0 54 -3,-1.2 -3,-0.1 -4,-0.2 -2,-0.1 0.628 72.3 121.6 66.7 18.7 8.4 11.1 9.2 77 78 A R < + 0 0 101 -5,-0.7 -75,-0.2 -4,-0.0 2,-0.1 0.792 46.7 90.9 -75.7 -33.6 4.9 12.3 9.8 78 79 A A - 0 0 0 -6,-0.4 -75,-0.2 -5,-0.2 3,-0.1 -0.413 47.6-174.3 -72.1 139.9 5.8 15.8 11.2 79 80 A D S S+ 0 0 69 -77,-3.0 2,-0.3 1,-0.3 -76,-0.2 0.651 79.0 22.6 -96.6 -27.0 6.1 18.7 8.8 80 81 A S E -b 3 0A 0 -78,-1.7 -76,-2.9 25,-0.1 2,-0.6 -0.996 65.6-145.8-140.3 136.5 7.4 21.0 11.6 81 82 A I E -bd 4 107A 0 25,-2.7 27,-2.4 -2,-0.3 2,-0.9 -0.950 9.3-164.2 -97.6 118.4 9.1 20.5 14.9 82 83 A L E -bd 5 108A 1 -78,-2.6 -76,-1.9 -2,-0.6 2,-0.7 -0.880 16.8-158.0 -98.5 95.5 8.0 23.1 17.4 83 84 A N E -bd 6 109A 2 25,-2.0 27,-2.4 -2,-0.9 2,-0.6 -0.701 2.0-151.3 -85.4 109.6 10.9 22.5 19.9 84 85 A V E - d 0 110A 0 -78,-1.9 -76,-0.5 -2,-0.7 2,-0.4 -0.781 17.5-170.3 -88.8 121.1 9.8 23.8 23.3 85 86 A V E - d 0 111A 1 25,-3.2 27,-1.8 -2,-0.6 2,-0.8 -0.944 25.5-127.3-120.1 129.5 12.9 24.8 25.2 86 87 A D E > - d 0 112A 12 -2,-0.4 3,-1.9 3,-0.2 7,-0.3 -0.692 18.4-156.6 -76.1 108.1 13.1 25.8 28.9 87 88 A A G > S+ 0 0 4 25,-2.7 3,-0.6 -2,-0.8 -1,-0.2 0.684 90.0 58.6 -58.6 -24.1 14.8 29.2 28.8 88 89 A T G 3 S+ 0 0 31 24,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.508 114.3 35.8 -87.7 -5.8 16.0 28.7 32.4 89 90 A N G <> S+ 0 0 60 -3,-1.9 4,-2.2 1,-0.1 3,-0.3 -0.323 77.4 151.6-134.5 48.7 17.9 25.5 31.6 90 91 A L H <> + 0 0 16 -3,-0.6 4,-2.1 1,-0.2 -2,-0.1 0.867 65.4 48.5 -58.4 -51.4 19.1 26.5 28.1 91 92 A E H > S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.893 114.3 46.9 -55.8 -45.1 22.3 24.5 27.8 92 93 A R H >4 S+ 0 0 152 -3,-0.3 3,-0.6 1,-0.2 4,-0.5 0.881 113.2 49.6 -65.1 -40.9 20.7 21.2 29.0 93 94 A N H 3X S+ 0 0 5 -4,-2.2 4,-1.4 -7,-0.3 3,-0.4 0.819 100.8 63.9 -68.6 -31.9 17.7 21.7 26.7 94 95 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.667 83.5 76.3 -73.6 -18.3 19.8 22.4 23.6 95 96 A Y H S+ 0 0 1 -4,-0.5 4,-2.7 -39,-0.4 3,-0.4 0.925 110.6 62.3 -56.4 -47.7 18.1 17.5 22.2 97 98 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.879 100.8 51.3 -46.5 -45.7 17.6 20.6 20.0 98 99 A T H X S+ 0 0 0 -4,-2.1 4,-1.4 -3,-0.4 -1,-0.2 0.888 111.5 48.0 -66.5 -35.2 20.8 19.9 18.0 99 100 A Q H X S+ 0 0 1 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.886 109.2 54.0 -69.2 -38.9 19.6 16.2 17.4 100 101 A L H ><>S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 5,-0.5 0.897 105.0 52.8 -59.5 -45.3 16.2 17.5 16.3 101 102 A I H ><5S+ 0 0 11 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.918 102.6 60.8 -56.1 -42.7 17.8 19.8 13.7 102 103 A E H 3<5S+ 0 0 4 -4,-1.4 91,-1.3 1,-0.3 90,-0.2 0.688 88.8 70.0 -60.0 -20.8 19.7 16.8 12.3 103 104 A T T <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.630 103.4-129.8 -72.6 -13.4 16.4 14.9 11.5 104 105 A G T < 5 + 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 86,-0.1 0.450 68.9 129.0 76.3 -1.1 15.9 17.5 8.7 105 106 A I S > + 0 0 46 -27,-0.2 4,-1.7 -26,-0.1 3,-0.9 0.805 65.8 150.3 57.9 31.3 9.3 29.9 30.7 114 115 A I H 3> + 0 0 24 26,-2.2 4,-2.6 -3,-0.3 27,-0.2 0.822 64.3 61.5 -62.5 -26.9 10.6 33.2 29.6 115 116 A D H 3> S+ 0 0 32 25,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.809 102.3 50.9 -69.0 -28.7 8.7 34.8 32.6 116 117 A V H <> S+ 0 0 62 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.911 109.8 48.8 -73.5 -44.9 10.8 32.7 35.0 117 118 A L H <>S+ 0 0 8 -4,-1.7 5,-2.2 1,-0.2 3,-0.3 0.926 109.6 53.9 -58.9 -45.0 14.0 33.8 33.4 118 119 A D H ><5S+ 0 0 98 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.904 108.5 48.5 -50.8 -47.3 12.6 37.4 33.6 119 120 A G H 3<5S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.9 60.1 -70.3 -26.9 12.1 36.9 37.4 120 121 A Q T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.413 116.6-118.8 -72.5 -1.2 15.6 35.5 37.8 121 122 A G T < 5S+ 0 0 65 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.791 72.7 130.4 62.4 30.1 16.7 38.9 36.4 122 123 A K < - 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0 0 54 0, 0.0 4,-0.7 0, 0.0 3,-0.6 -0.410 41.1-131.0 -58.4 133.5 15.2 8.5 4.7 188 193 A Q G >4 S+ 0 0 184 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.921 101.9 55.7 -59.5 -44.6 17.0 11.3 2.8 189 194 A R G 34 S+ 0 0 89 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.836 116.8 35.6 -57.2 -35.6 15.6 14.1 5.0 190 195 A S G X> S+ 0 0 0 -3,-0.6 4,-1.7 1,-0.2 3,-0.9 0.359 81.5 116.1 -98.9 2.8 17.0 12.5 8.2 191 196 A A H S+ 0 0 22 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.3 0.888 106.6 54.2 -63.0 -42.0 22.6 13.2 8.9 193 198 A F H <> S+ 0 0 0 -91,-1.3 4,-2.3 -3,-0.9 -1,-0.2 0.943 113.7 42.7 -54.5 -48.1 20.8 12.2 12.1 194 199 A Y H X S+ 0 0 15 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.881 111.2 54.1 -68.4 -40.9 21.3 8.5 11.2 195 200 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.902 111.6 45.5 -60.4 -45.1 24.9 9.0 10.0 196 201 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 112.1 50.9 -63.0 -45.0 25.8 10.6 13.3 197 202 A K H <>S+ 0 0 4 -4,-2.3 5,-2.7 -5,-0.2 -2,-0.2 0.862 111.0 49.0 -60.7 -38.4 24.0 8.0 15.4 198 203 A L H ><5S+ 0 0 5 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.899 107.7 54.1 -69.1 -38.2 25.8 5.2 13.5 199 204 A F H 3<5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.931 109.3 48.8 -56.9 -42.1 29.2 7.0 14.1 200 205 A E T 3<5S- 0 0 19 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.451 113.5-124.1 -73.7 -4.6 28.3 7.0 17.8 201 206 A Q T < 5 - 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0 0 104 -2,-0.3 4,-2.2 -3,-0.1 3,-0.4 -0.457 38.6-113.9 -73.8 147.6 36.6 7.2 21.0 234 239 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.824 112.9 52.5 -50.3 -45.0 33.6 7.7 18.7 235 240 A E H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 112.3 45.5 -59.1 -47.2 31.0 8.2 21.4 236 241 A S H > S+ 0 0 51 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.858 105.9 61.4 -67.0 -36.4 33.1 10.9 23.1 237 242 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.950 110.8 38.3 -54.7 -51.4 33.8 12.6 19.8 238 243 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.936 115.7 50.2 -71.0 -49.0 30.2 13.4 19.1 239 244 A I H X S+ 0 0 54 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.911 114.3 47.0 -51.9 -47.6 29.1 14.2 22.7 240 245 A N H X S+ 0 0 75 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.884 111.6 49.5 -66.1 -38.6 32.0 16.6 23.0 241 246 A E H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.903 112.6 48.8 -63.4 -43.4 31.3 18.2 19.6 242 247 A R H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.941 113.2 46.9 -60.9 -49.8 27.7 18.6 20.6 243 248 A Y H X S+ 0 0 126 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.881 112.0 49.3 -59.2 -43.4 28.7 20.1 24.0 244 249 A A H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.908 111.5 49.6 -66.4 -41.0 31.2 22.5 22.5 245 250 A F H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.947 113.1 46.2 -56.9 -51.8 28.7 23.7 19.9 246 251 A I H X S+ 0 0 2 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.890 110.5 54.3 -60.3 -41.7 26.0 24.3 22.6 247 252 A E H X S+ 0 0 103 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.920 109.5 46.3 -59.9 -46.4 28.6 26.1 24.8 248 253 A R H X S+ 0 0 110 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 113.9 50.1 -60.6 -47.7 29.5 28.5 22.0 249 254 A V H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.917 109.7 49.1 -56.5 -47.1 25.8 29.0 21.3 250 255 A C H X S+ 0 0 8 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.860 108.6 53.7 -63.3 -35.5 24.9 29.7 25.0 251 256 A Q H < S+ 0 0 101 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.887 111.3 45.9 -67.8 -36.9 27.8 32.2 25.2 252 257 A M H >< S+ 0 0 62 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.923 110.8 53.6 -64.8 -43.9 26.3 34.0 22.2 253 258 A A H 3< S+ 0 0 0 -4,-2.7 -128,-3.1 1,-0.3 -2,-0.2 0.772 110.2 46.9 -61.4 -32.9 22.8 33.8 23.8 254 259 A E T 3< S+ 0 0 130 -4,-1.9 2,-0.6 -130,-0.2 -1,-0.3 0.453 93.3 97.2 -88.0 -4.3 24.2 35.4 27.0 255 260 A S < + 0 0 29 -3,-1.3 -127,-0.2 -4,-0.3 -130,-0.1 -0.786 43.5 174.6 -90.6 121.7 25.9 38.1 24.9 256 261 A H + 0 0 106 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.268 38.9 121.9-111.6 9.5 23.9 41.3 24.7 257 262 A T - 0 0 90 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.457 69.8-106.6 -70.3 141.5 26.5 43.4 22.8 258 263 A E - 0 0 141 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.510 26.4-133.0 -68.6 132.1 25.7 44.9 19.4 259 264 A D 0 0 114 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.834 360.0 360.0 -90.2 114.8 27.3 43.2 16.4 260 265 A F 0 0 218 -2,-0.7 -1,-0.1 0, 0.0 0, 0.0 0.178 360.0 360.0 -98.8 360.0 28.8 45.8 14.1