==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 15-JUL-11 3B1Y . COMPND 2 MOLECULE: FERROUS IRON UPTAKE TRANSPORTER PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR M.R.ASH,M.J.MAHER,J.M.GUSS,M.JORMAKKA . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 1 0 1 3 1 0 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 0 2 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 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 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 1 A M 0 0 193 0, 0.0 2,-0.4 0, 0.0 48,-0.2 0.000 360.0 360.0 360.0 -29.1 20.8 -0.6 -16.8 2 2 A T E -a 49 0A 31 46,-2.0 48,-2.5 2,-0.0 2,-0.6 -0.997 360.0-157.9-124.8 126.6 19.3 3.0 -16.7 3 3 A E E -a 50 0A 31 -2,-0.4 77,-2.6 46,-0.2 78,-1.8 -0.915 7.7-170.0-109.5 115.9 16.1 3.6 -18.7 4 4 A I E -ab 51 81A 0 46,-3.1 48,-3.0 -2,-0.6 2,-0.6 -0.938 12.0-147.9-112.8 123.9 15.3 7.2 -19.7 5 5 A A E -ab 52 82A 0 76,-3.1 78,-2.3 -2,-0.5 2,-0.6 -0.819 10.6-151.7 -92.8 118.9 11.9 8.1 -21.2 6 6 A L E +ab 53 83A 0 46,-2.4 48,-1.9 -2,-0.6 2,-0.3 -0.821 32.4 148.4 -92.7 119.5 12.2 10.9 -23.7 7 7 A I E + b 0 84A 0 76,-1.7 78,-2.5 -2,-0.6 2,-0.3 -0.984 2.7 125.7-147.0 155.5 8.9 13.0 -23.9 8 8 A G E - b 0 85A 0 -2,-0.3 49,-1.4 47,-0.3 78,-0.1 -0.944 58.7 -48.3 175.4 179.5 7.7 16.5 -24.5 9 9 A N S > S- 0 0 8 76,-0.5 3,-1.0 -2,-0.3 5,-0.3 -0.260 70.3 -86.7 -61.0 151.8 5.4 18.6 -26.7 10 10 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.295 113.6 19.8 -54.5 146.0 5.3 18.1 -30.4 11 11 A N T 3 S+ 0 0 150 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.778 83.4 120.3 57.0 33.8 7.9 20.2 -32.3 12 12 A S S < S- 0 0 0 -3,-1.0 76,-0.2 73,-0.1 74,-0.1 0.505 94.2 -96.4 -94.8 -9.1 10.1 20.7 -29.2 13 13 A G S > S+ 0 0 14 -4,-0.1 4,-2.5 72,-0.1 5,-0.2 0.677 79.1 140.7 101.5 27.9 13.0 19.0 -31.0 14 14 A K H > S+ 0 0 22 -5,-0.3 4,-3.3 2,-0.2 5,-0.2 0.924 71.4 47.2 -71.5 -49.3 12.6 15.5 -29.6 15 15 A T H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 113.5 51.5 -52.4 -49.6 13.3 13.5 -32.7 16 16 A S H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.899 114.5 41.1 -56.4 -49.1 16.4 15.7 -33.3 17 17 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.917 114.0 53.8 -65.0 -44.3 17.7 15.2 -29.7 18 18 A F H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 5,-0.3 0.897 110.0 47.1 -56.0 -46.1 16.7 11.5 -29.8 19 19 A N H X S+ 0 0 68 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.855 112.7 48.9 -65.4 -38.8 18.7 11.0 -33.1 20 20 A L H < S+ 0 0 69 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 114.6 45.3 -65.7 -43.5 21.8 12.8 -31.7 21 21 A I H < S+ 0 0 6 -4,-2.5 23,-3.0 1,-0.2 24,-0.4 0.853 127.0 26.5 -66.7 -42.7 21.8 10.8 -28.4 22 22 A T H >< S- 0 0 0 -4,-2.0 3,-2.0 21,-0.3 2,-0.6 0.640 81.5-171.7-101.3 -21.8 21.3 7.3 -29.9 23 23 A G T 3< S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.3 3,-0.1 -0.489 74.3 -22.0 66.8-110.8 22.8 7.8 -33.4 24 24 A H T 3 S+ 0 0 190 -2,-0.6 -1,-0.3 1,-0.1 -5,-0.1 0.090 110.5 102.4-120.6 19.5 21.9 4.6 -35.3 25 25 A N < + 0 0 59 -3,-2.0 17,-1.0 17,-0.3 2,-0.3 -0.025 57.7 134.9 -86.5 29.2 21.4 2.3 -32.3 26 26 A Q E -C 41 0A 66 15,-0.2 2,-0.4 -3,-0.1 15,-0.3 -0.622 42.6-159.9 -94.3 140.8 17.5 2.7 -32.8 27 27 A R E -C 40 0A 54 13,-3.0 13,-1.7 -2,-0.3 2,-0.4 -0.945 11.3-163.9-113.4 132.9 14.8 0.1 -32.6 28 28 A V E +C 39 0A 99 -2,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.973 32.7 110.0-123.6 135.0 11.4 0.8 -34.3 29 29 A G E -C 38 0A 42 9,-2.4 9,-1.9 -2,-0.4 2,-0.3 -0.670 56.9 -79.7-162.7-141.1 8.2 -1.1 -33.8 30 30 A N E -C 37 0A 101 7,-0.3 7,-0.2 -2,-0.2 5,-0.1 -0.970 33.4 -98.8-144.5 160.7 4.9 -0.4 -32.2 31 31 A W > - 0 0 16 5,-2.1 3,-1.8 -2,-0.3 5,-0.3 -0.562 66.0 -81.1 -74.1 140.2 3.1 -0.2 -28.8 32 32 A P T 3 S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.183 104.1 -14.5 -55.1 128.8 1.1 -3.4 -28.2 33 33 A G T 3 S+ 0 0 86 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.627 115.6 102.4 56.7 21.3 -2.3 -3.5 -29.9 34 34 A V S < S- 0 0 51 -3,-1.8 2,-1.8 2,-0.2 -3,-0.3 -0.992 77.3-124.6-137.5 139.5 -2.2 0.3 -30.6 35 35 A A S S+ 0 0 110 -2,-0.3 2,-0.4 -5,-0.1 31,-0.1 -0.319 72.6 114.2 -84.7 56.4 -1.4 2.2 -33.8 36 36 A V S S- 0 0 15 -2,-1.8 -5,-2.1 -5,-0.3 -2,-0.2 -0.995 70.6-111.3-130.8 129.9 1.4 4.3 -32.3 37 37 A E E -C 30 0A 106 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.3 -0.326 26.7-159.0 -57.6 134.4 5.1 4.1 -33.2 38 38 A R E +C 29 0A 89 -9,-1.9 -9,-2.4 16,-0.1 2,-0.4 -0.989 19.0 169.6-114.8 119.8 7.3 2.7 -30.5 39 39 A K E +C 28 0A 23 -2,-0.5 14,-2.1 14,-0.4 2,-0.3 -0.992 6.0 158.9-134.9 150.7 11.0 3.6 -30.7 40 40 A S E -CD 27 52A 20 -13,-1.7 -13,-3.0 -2,-0.4 2,-0.3 -0.926 7.9-179.8-150.6 167.7 14.0 3.3 -28.4 41 41 A G E -CD 26 51A 3 10,-2.3 10,-3.5 -2,-0.3 2,-0.3 -0.964 31.5-102.7-169.4 159.4 17.8 3.3 -28.6 42 42 A L E - D 0 50A 63 -17,-1.0 2,-0.4 -2,-0.3 -17,-0.3 -0.652 49.1-101.5 -84.5 145.2 21.0 2.9 -26.6 43 43 A V E > - D 0 46A 5 6,-2.4 3,-1.5 3,-0.6 -21,-0.3 -0.567 29.4-136.4 -69.7 124.0 22.9 6.2 -25.9 44 44 A K T 3 S+ 0 0 61 -23,-3.0 3,-0.2 -2,-0.4 -1,-0.1 0.878 101.3 40.9 -49.9 -47.7 25.7 6.2 -28.4 45 45 A K T 3 S+ 0 0 155 -24,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.446 127.8 28.5 -85.7 -2.2 28.4 7.4 -25.9 46 46 A N E X - D 0 43A 73 -3,-1.5 3,-1.8 3,-0.2 -3,-0.6 -0.622 61.5-170.9-161.1 95.3 27.2 5.2 -23.0 47 47 A K E 3 S+ 0 0 112 1,-0.3 -3,-0.1 -3,-0.2 -2,-0.0 0.378 81.7 72.5 -76.4 0.8 25.4 1.9 -23.9 48 48 A D E 3 S+ 0 0 112 -47,-0.1 -46,-2.0 -5,-0.1 2,-0.4 0.584 90.8 73.9 -81.6 -13.6 24.4 1.2 -20.2 49 49 A L E < -a 2 0A 10 -3,-1.8 -6,-2.4 -6,-0.2 2,-0.4 -0.871 67.5-168.1-102.1 134.0 21.8 4.0 -20.8 50 50 A E E -aD 3 42A 64 -48,-2.5 -46,-3.1 -2,-0.4 2,-0.5 -0.989 11.2-146.2-125.1 131.8 18.7 3.4 -23.0 51 51 A I E -aD 4 41A 0 -10,-3.5 -10,-2.3 -2,-0.4 2,-0.7 -0.841 6.7-163.5 -96.4 124.9 16.3 6.0 -24.3 52 52 A Q E -aD 5 40A 6 -48,-3.0 -46,-2.4 -2,-0.5 -12,-0.2 -0.957 17.4-145.5-105.8 110.8 12.6 5.0 -24.6 53 53 A D E -a 6 0A 10 -14,-2.1 -14,-0.4 -2,-0.7 -46,-0.2 -0.442 13.5-160.7 -71.5 149.1 11.0 7.6 -26.9 54 54 A L - 0 0 0 -48,-1.9 -46,-0.2 -2,-0.1 3,-0.1 -0.972 31.9 -86.0-129.8 148.4 7.4 8.5 -26.1 55 55 A P - 0 0 11 0, 0.0 -47,-0.3 0, 0.0 2,-0.2 -0.203 49.1-104.5 -54.7 140.6 4.9 10.1 -28.4 56 56 A G + 0 0 15 -49,-0.1 2,-0.3 -47,-0.1 -47,-0.2 -0.508 53.6 171.1 -64.4 127.3 4.9 13.9 -28.4 57 57 A I - 0 0 2 -49,-1.4 3,-0.1 -2,-0.2 40,-0.1 -0.974 42.9-149.1-142.5 155.6 2.0 15.1 -26.4 58 58 A Y S S- 0 0 142 -2,-0.3 2,-0.3 1,-0.2 39,-0.1 0.672 86.2 -6.8 -90.5 -25.2 0.6 18.4 -24.9 59 59 A S - 0 0 28 38,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.961 67.2-106.4-162.3 168.8 -1.0 16.6 -21.9 60 60 A M + 0 0 1 -2,-0.3 -3,-0.0 -3,-0.1 8,-0.0 -0.577 56.8 154.3-106.5 65.9 -1.9 13.2 -20.3 61 61 A S - 0 0 34 -2,-0.6 3,-0.3 1,-0.1 10,-0.2 -0.400 51.0-122.9 -84.5 167.6 -5.6 13.1 -21.0 62 62 A P S S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.484 96.2 73.6 -91.0 -1.8 -7.5 9.8 -21.3 63 63 A Y S S+ 0 0 186 4,-0.0 -3,-0.0 5,-0.0 3,-0.0 0.688 81.0 70.5 -87.8 -21.5 -8.9 10.4 -24.9 64 64 A S > - 0 0 32 -3,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.835 67.9-141.7-106.7 131.5 -5.8 10.0 -27.1 65 65 A P H > S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.838 106.1 51.0 -54.5 -36.3 -4.0 6.6 -27.9 66 66 A E H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.881 110.0 47.6 -64.5 -45.6 -0.6 8.5 -27.8 67 67 A E H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 111.7 50.8 -67.4 -40.3 -1.3 10.1 -24.4 68 68 A K H X S+ 0 0 80 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.870 110.2 49.4 -65.3 -40.5 -2.5 6.8 -22.9 69 69 A V H X S+ 0 0 14 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.973 111.6 49.8 -59.6 -52.0 0.7 5.1 -24.2 70 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.905 117.8 40.2 -48.8 -50.3 2.7 8.0 -22.6 71 71 A R H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.916 112.2 52.8 -68.3 -49.3 0.9 7.6 -19.4 72 72 A D H < S+ 0 0 65 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.891 112.9 46.1 -59.0 -40.5 0.7 3.8 -19.2 73 73 A Y H ><>S+ 0 0 13 -4,-2.6 3,-0.9 -5,-0.2 5,-0.7 0.910 112.9 48.0 -68.1 -44.1 4.5 3.5 -19.7 74 74 A L H ><5S+ 0 0 2 -4,-1.8 3,-0.8 -5,-0.3 -2,-0.2 0.877 114.1 46.9 -67.3 -37.1 5.4 6.2 -17.2 75 75 A L T 3<5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.480 97.2 74.9 -80.4 -3.1 3.1 4.7 -14.5 76 76 A S T < 5S- 0 0 45 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.477 99.8-127.1 -86.1 -3.8 4.5 1.2 -15.2 77 77 A Q T < 5S+ 0 0 78 -3,-0.8 -3,-0.1 -4,-0.2 -2,-0.1 0.579 75.6 121.7 68.0 12.1 7.8 1.9 -13.4 78 78 A R < + 0 0 181 -5,-0.7 2,-0.3 2,-0.0 -75,-0.2 0.815 59.6 78.2 -69.8 -30.2 9.9 0.8 -16.4 79 79 A A - 0 0 2 -6,-0.4 -75,-0.2 -5,-0.2 3,-0.1 -0.620 52.5-174.8 -85.8 136.2 11.6 4.2 -16.5 80 80 A D S S+ 0 0 40 -77,-2.6 78,-1.1 -2,-0.3 2,-0.3 0.719 79.4 16.5 -88.5 -31.4 14.3 5.3 -14.0 81 81 A S E -b 4 0A 0 -78,-1.8 -76,-3.1 76,-0.2 2,-0.5 -0.981 60.5-143.5-144.4 150.7 14.2 8.9 -15.5 82 82 A I E -be 5 108A 0 25,-2.4 27,-2.2 -2,-0.3 2,-0.8 -0.988 12.6-161.6-112.5 120.6 12.1 11.2 -17.6 83 83 A L E -be 6 109A 1 -78,-2.3 -76,-1.7 -2,-0.5 2,-0.7 -0.929 16.3-154.4-102.0 106.6 14.1 13.5 -19.8 84 84 A N E -be 7 110A 1 25,-3.2 27,-2.1 -2,-0.8 2,-0.6 -0.764 3.0-149.2 -89.4 107.5 11.6 16.2 -20.6 85 85 A V E -be 8 111A 0 -78,-2.5 -76,-0.5 -2,-0.7 2,-0.4 -0.698 22.7-171.9 -78.0 120.8 12.3 18.0 -23.9 86 86 A V E - e 0 112A 0 25,-3.0 27,-1.8 -2,-0.6 2,-0.9 -0.964 26.7-127.5-122.3 132.4 11.0 21.5 -23.5 87 87 A D E > - e 0 113A 25 -2,-0.4 3,-1.4 3,-0.2 7,-0.3 -0.662 18.1-163.8 -74.3 104.1 10.6 24.3 -26.2 88 88 A A G > S+ 0 0 2 25,-2.7 3,-0.7 -2,-0.9 -1,-0.2 0.734 87.4 60.5 -63.3 -23.4 12.5 27.3 -24.6 89 89 A T G 3 S+ 0 0 64 1,-0.2 -1,-0.3 24,-0.2 25,-0.1 0.671 118.3 29.9 -75.9 -17.6 10.8 29.7 -27.1 90 90 A N G <> S+ 0 0 69 -3,-1.4 4,-1.6 1,-0.1 -1,-0.2 -0.359 82.0 154.8-134.9 50.4 7.4 28.6 -25.7 91 91 A L H <> + 0 0 6 -3,-0.7 4,-1.7 1,-0.2 -1,-0.1 0.819 63.1 50.3 -51.5 -50.6 8.4 27.8 -22.1 92 92 A E H 4 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.894 111.1 46.2 -64.4 -47.3 5.2 28.3 -20.2 93 93 A R H >4 S+ 0 0 178 -3,-0.2 3,-0.9 1,-0.2 4,-0.5 0.830 111.0 53.2 -67.6 -34.3 2.9 26.2 -22.4 94 94 A N H >X S+ 0 0 8 -4,-1.6 4,-1.3 -7,-0.3 3,-0.9 0.858 99.1 64.3 -65.9 -37.2 5.4 23.4 -22.5 95 95 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.636 82.6 79.2 -63.5 -14.2 5.6 23.4 -18.7 96 96 A Y H <> S+ 0 0 29 -3,-0.9 4,-0.9 -4,-0.4 -1,-0.2 0.951 102.5 35.9 -55.7 -51.3 1.8 22.3 -18.7 97 97 A L H <> S+ 0 0 0 -3,-0.9 4,-2.6 -4,-0.5 3,-0.4 0.879 109.9 65.2 -65.7 -42.3 2.9 18.7 -19.4 98 98 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.867 99.5 51.9 -49.8 -44.0 6.1 19.1 -17.3 99 99 A T H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.879 111.0 47.4 -62.3 -40.1 3.9 19.5 -14.1 100 100 A Q H X S+ 0 0 4 -4,-0.9 4,-0.7 -3,-0.4 -2,-0.2 0.896 109.7 53.6 -65.5 -42.3 2.0 16.3 -15.0 101 101 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 5,-0.5 0.889 106.1 51.9 -62.1 -41.9 5.3 14.4 -15.7 102 102 A I H >< S+ 0 0 8 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.880 102.2 62.8 -59.3 -37.8 6.7 15.4 -12.3 103 103 A E H 3< S+ 0 0 0 -4,-1.3 92,-0.9 1,-0.3 -1,-0.2 0.694 86.5 71.1 -65.5 -21.2 3.5 14.0 -10.6 104 104 A T T << S- 0 0 3 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.745 105.2-126.6 -64.0 -24.5 4.2 10.5 -11.9 105 105 A G S < S+ 0 0 0 -3,-1.6 -2,-0.1 -4,-0.3 -3,-0.1 0.407 73.2 123.1 88.6 -2.0 7.0 10.3 -9.3 106 106 A I S S- 0 0 6 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.856 77.2-104.0 -85.2 119.0 9.6 9.3 -11.9 107 107 A P - 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0 0 63 0, 0.0 4,-0.3 0, 0.0 7,-0.2 -0.352 33.6-133.1 -62.3 140.0 1.5 3.0 -5.8 190 193 A Q S > S+ 0 0 100 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.879 102.7 52.1 -60.0 -41.2 3.4 5.3 -3.3 191 194 A R T 3 S+ 0 0 95 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.891 121.2 30.2 -63.8 -45.1 5.6 6.9 -5.9 192 195 A S T 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.1 3,-0.3 0.105 83.9 116.3-102.3 16.7 2.7 7.9 -8.2 193 196 A A H <> S+ 0 0 20 -3,-0.7 4,-2.5 -4,-0.3 5,-0.2 0.895 76.8 51.3 -52.5 -45.5 0.1 8.4 -5.5 194 197 A R H > S+ 0 0 25 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.867 106.7 54.6 -63.0 -38.7 -0.2 12.2 -6.2 195 198 A F H > S+ 0 0 0 -92,-0.9 4,-1.9 -3,-0.3 -1,-0.2 0.934 112.4 43.2 -57.1 -50.5 -0.8 11.4 -10.0 196 199 A Y H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.875 111.6 53.9 -65.8 -39.1 -3.6 9.1 -9.2 197 200 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.911 110.5 46.1 -64.0 -44.2 -5.2 11.5 -6.5 198 201 A I H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.894 113.3 50.8 -63.5 -40.1 -5.3 14.4 -9.0 199 202 A K H <>S+ 0 0 5 -4,-1.9 5,-2.3 2,-0.2 -2,-0.2 0.884 109.4 48.6 -67.3 -40.3 -6.8 12.1 -11.7 200 203 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.900 109.0 55.0 -62.5 -40.7 -9.5 10.8 -9.3 201 204 A F H 3<5S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.841 109.5 46.7 -60.3 -35.2 -10.2 14.5 -8.5 202 205 A E T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.431 114.6-122.0 -81.0 -2.7 -10.6 15.1 -12.2 203 206 A Q T < 5 - 0 0 107 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.935 39.2-166.8 54.9 52.3 -12.9 11.9 -12.5 204 207 A D >< - 0 0 11 -5,-2.3 4,-2.3 1,-0.1 -1,-0.2 -0.594 16.9-144.9 -76.9 123.5 -10.5 10.4 -15.0 205 208 A S H > S+ 0 0 62 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.870 95.0 48.2 -59.2 -47.6 -12.1 7.4 -16.8 206 209 A L H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.925 113.8 47.1 -61.0 -46.2 -8.9 5.3 -17.2 207 210 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.900 112.4 48.6 -66.0 -42.6 -7.8 5.8 -13.5 208 211 A E H < S+ 0 0 95 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.932 113.2 47.7 -60.0 -47.7 -11.3 5.0 -12.1 209 212 A A H < S+ 0 0 92 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.699 113.2 50.3 -64.2 -24.5 -11.6 1.8 -14.2 210 213 A E H < S+ 0 0 94 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.2 0.881 96.5 71.8 -85.4 -45.7 -8.0 0.7 -13.2 211 214 A L S < S- 0 0 22 -4,-2.0 2,-1.3 -5,-0.1 -23,-0.1 -0.558 74.3-136.8 -78.1 135.0 -8.1 1.0 -9.4 212 215 A D + 0 0 164 -25,-0.3 2,-0.4 -2,-0.3 -3,-0.1 -0.739 38.5 176.5 -88.7 85.6 -10.1 -1.5 -7.3 213 216 A L - 0 0 19 -2,-1.3 -29,-0.0 -5,-0.3 -2,-0.0 -0.818 24.5-127.6 -99.8 130.8 -11.6 1.1 -5.0 214 217 A S > - 0 0 56 -2,-0.4 4,-3.1 1,-0.1 5,-0.1 -0.202 26.6-106.8 -67.8 163.8 -14.1 0.1 -2.3 215 218 A Q H > S+ 0 0 152 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.886 123.2 55.2 -56.9 -41.9 -17.5 1.8 -1.9 216 219 A F H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 111.4 43.0 -54.9 -51.9 -16.1 3.5 1.3 217 220 A Q H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.959 113.3 51.9 -60.4 -51.8 -13.2 4.9 -0.7 218 221 A R H X S+ 0 0 119 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.872 109.3 49.2 -53.8 -44.4 -15.5 5.9 -3.7 219 222 A K H X S+ 0 0 110 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.908 109.1 51.3 -67.1 -44.4 -17.9 7.9 -1.5 220 223 A E H X S+ 0 0 82 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.6 50.7 -57.0 -44.0 -15.2 9.8 0.4 221 224 A I H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.857 109.2 51.5 -63.4 -37.8 -13.7 10.9 -3.0 222 225 A E H X S+ 0 0 100 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.929 110.2 48.8 -63.2 -46.2 -17.1 12.1 -4.2 223 226 A D H X S+ 0 0 49 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.937 111.1 50.1 -55.6 -50.4 -17.6 14.2 -1.0 224 227 A I H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 114.7 44.3 -56.1 -46.9 -14.1 15.7 -1.4 225 228 A I H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.915 112.3 51.4 -65.4 -47.2 -14.8 16.6 -5.1 226 229 A R H X S+ 0 0 114 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.936 114.4 43.2 -56.9 -49.2 -18.3 18.0 -4.4 227 230 A I H >X S+ 0 0 75 -4,-2.7 4,-2.0 1,-0.2 3,-0.7 0.916 110.0 54.0 -66.3 -46.9 -17.2 20.3 -1.6 228 231 A T H 3X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 6,-0.2 0.807 103.6 57.8 -60.8 -31.7 -14.0 21.6 -3.3 229 232 A E H 3X>S+ 0 0 59 -4,-1.7 4,-1.5 2,-0.2 5,-1.0 0.858 108.5 46.7 -64.9 -34.8 -16.1 22.6 -6.4 230 233 A E H <<5S+ 0 0 134 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.879 110.7 51.8 -71.3 -40.3 -18.2 24.8 -4.0 231 234 A I H <5S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 121.7 31.8 -64.8 -39.4 -15.1 26.3 -2.3 232 235 A F H <5S- 0 0 19 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.660 97.6-134.6 -89.7 -20.4 -13.6 27.3 -5.7 233 236 A T T <5S+ 0 0 128 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.851 75.2 91.4 59.6 38.2 -16.9 28.0 -7.6 234 237 A E S - 0 0 82 -2,-0.3 4,-2.2 -3,-0.1 3,-0.3 -0.377 42.6-107.3 -71.5 149.1 -15.6 22.3 -11.8 236 239 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.807 119.3 47.9 -42.5 -49.3 -12.9 19.9 -10.7 237 240 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 111.6 49.8 -60.7 -47.9 -11.1 19.8 -14.1 238 241 A S H > S+ 0 0 38 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.834 107.3 55.9 -62.2 -34.7 -11.1 23.6 -14.4 239 242 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.952 111.2 42.8 -59.9 -51.7 -9.7 23.9 -10.9 240 243 A V H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.878 113.8 51.7 -65.1 -40.2 -6.7 21.7 -11.8 241 244 A I H X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.961 113.7 43.2 -61.1 -52.0 -6.2 23.4 -15.2 242 245 A N H X S+ 0 0 84 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.829 113.3 52.7 -63.2 -34.1 -6.1 26.9 -13.6 243 246 A E H X S+ 0 0 18 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.856 106.6 52.5 -71.6 -35.2 -3.9 25.7 -10.7 244 247 A R H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.941 113.0 44.1 -61.6 -48.8 -1.3 24.2 -13.1 245 248 A Y H X S+ 0 0 99 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.857 111.0 53.9 -67.1 -36.7 -1.1 27.5 -15.1 246 249 A A H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 109.5 48.6 -63.4 -39.8 -1.0 29.6 -11.8 247 250 A F H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.876 113.7 46.6 -66.3 -38.8 2.0 27.5 -10.7 248 251 A I H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.892 111.5 51.5 -67.6 -42.4 3.7 28.0 -14.1 249 252 A E H X S+ 0 0 63 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.867 112.5 46.2 -63.8 -38.6 2.9 31.7 -14.0 250 253 A R H X S+ 0 0 109 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.966 112.2 48.8 -65.2 -56.7 4.5 32.0 -10.5 251 254 A V H X S+ 0 0 8 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.823 112.7 48.5 -53.4 -40.7 7.6 30.0 -11.2 252 255 A C H X S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 3,-0.3 0.830 110.2 51.6 -71.1 -34.8 8.3 32.0 -14.4 253 256 A Q H < S+ 0 0 85 -4,-1.4 3,-0.2 -3,-0.3 -2,-0.2 0.937 109.5 50.5 -63.7 -47.4 7.8 35.3 -12.5 254 257 A M H < S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.613 129.3 19.8 -66.7 -15.2 10.3 34.2 -9.9 255 258 A A H < 0 0 7 -4,-0.6 -132,-1.1 -3,-0.3 -128,-0.2 0.370 360.0 360.0-133.8 3.5 12.9 33.2 -12.6 256 259 A E < 0 0 74 -4,-1.8 -2,-0.1 -3,-0.2 -4,-0.1 -0.251 360.0 360.0 61.5 360.0 12.0 35.1 -15.9