==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 30-JAN-13 3W5J . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLIONELLA CAPSIFERRIFORMANS; . AUTHOR C.N.DESHPANDE,A.P.MCGRATH,M.JORMAKKA . 387 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 32 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 2 0 5 1 0 1 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 4 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 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 0 A Q 0 0 216 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -18.4 -32.1 -16.9 0.9 2 1 A F - 0 0 60 1,-0.1 49,-0.2 47,-0.0 47,-0.0 -0.641 360.0 -91.6 -99.2 155.6 -30.4 -18.3 4.0 3 2 A K E -a 51 0A 71 47,-0.5 49,-2.9 -2,-0.2 2,-0.5 -0.351 46.2-127.6 -61.2 145.4 -28.3 -16.5 6.6 4 3 A R E -a 52 0A 65 76,-0.2 79,-1.9 47,-0.2 78,-1.5 -0.858 20.0-168.6-109.0 127.8 -24.6 -16.5 5.7 5 4 A I E -ab 53 83A 1 47,-3.4 49,-2.5 -2,-0.5 2,-0.5 -0.976 13.7-159.3-109.3 118.9 -21.7 -17.6 7.9 6 5 A A E -ab 54 84A 0 77,-2.5 79,-2.8 -2,-0.5 2,-0.6 -0.873 10.8-140.5 -99.3 130.2 -18.3 -16.6 6.5 7 6 A L E +ab 55 85A 0 47,-2.7 49,-2.2 -2,-0.5 2,-0.4 -0.837 29.4 179.5 -90.4 124.3 -15.2 -18.5 7.7 8 7 A L E + b 0 86A 0 77,-2.1 79,-3.7 -2,-0.6 2,-0.3 -0.940 18.1 107.9-130.1 136.0 -12.4 -15.9 8.0 9 8 A G E - b 0 87A 0 -2,-0.4 50,-1.6 48,-0.3 79,-0.1 -0.946 63.1 -64.6 178.0-176.7 -8.8 -16.4 9.1 10 9 A M S > S- 0 0 9 77,-0.5 3,-0.6 -2,-0.3 5,-0.2 -0.259 71.5 -70.1 -77.9 169.0 -5.2 -16.4 8.0 11 10 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 48,-0.0 -0.262 115.7 12.5 -60.4 148.0 -3.9 -19.0 5.6 12 11 A N T 3 S+ 0 0 162 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.889 81.8 131.7 55.0 45.8 -3.6 -22.6 6.9 13 12 A T S < S- 0 0 2 -3,-0.6 -1,-0.1 -4,-0.0 102,-0.1 0.321 85.3 -93.2-107.1 4.2 -5.6 -22.0 10.1 14 13 A G S > S+ 0 0 21 101,-0.1 4,-2.5 75,-0.1 5,-0.2 0.683 81.5 136.5 97.9 18.4 -7.8 -25.1 9.6 15 14 A K H > S+ 0 0 19 -5,-0.2 4,-2.5 2,-0.2 5,-0.1 0.893 73.1 44.8 -65.5 -47.7 -10.7 -23.5 7.7 16 15 A S H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 114.0 53.1 -67.0 -34.7 -11.3 -26.1 5.1 17 16 A T H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.923 110.4 45.1 -64.0 -47.5 -11.0 -28.8 7.8 18 17 A L H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.911 111.0 55.4 -62.4 -42.2 -13.7 -27.1 9.9 19 18 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.4 0.933 107.9 47.7 -54.6 -50.1 -15.8 -26.7 6.8 20 19 A N H X S+ 0 0 68 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.877 112.2 50.6 -58.7 -42.8 -15.6 -30.5 6.1 21 20 A R H < S+ 0 0 120 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.912 114.4 43.7 -60.0 -44.7 -16.5 -31.2 9.8 22 21 A M H < S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 129.9 23.1 -70.0 -41.6 -19.5 -28.8 9.6 23 22 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.639 88.6-133.3-101.0 -21.4 -20.9 -29.9 6.2 24 23 A G S < S+ 0 0 74 -4,-2.7 2,-0.2 -5,-0.3 -4,-0.2 0.589 79.7 68.9 72.1 9.8 -19.5 -33.4 5.8 25 24 A G S S- 0 0 31 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.697 76.5-127.3-140.8-170.0 -18.5 -32.4 2.2 26 25 A A + 0 0 57 -2,-0.2 2,-0.1 -3,-0.1 16,-0.1 -0.266 42.2 165.8-140.2 46.5 -16.3 -30.3 -0.0 27 26 A A - 0 0 53 13,-0.1 14,-2.4 1,-0.0 2,-0.4 -0.447 21.2-154.4 -69.4 136.0 -18.9 -28.5 -2.2 28 27 A R E -F 40 0B 155 12,-0.3 2,-0.4 -2,-0.1 12,-0.3 -0.926 9.2-167.1-113.3 137.5 -17.6 -25.5 -4.2 29 28 A V E +F 39 0B 55 10,-3.0 10,-3.0 -2,-0.4 2,-0.1 -0.995 7.4 177.3-130.8 131.6 -19.9 -22.7 -5.3 30 29 A G + 0 0 25 -2,-0.4 8,-0.1 8,-0.3 7,-0.1 -0.311 50.2 75.5-111.4-162.2 -19.3 -19.9 -7.8 31 30 A N + 0 0 163 5,-0.2 -1,-0.1 1,-0.2 5,-0.1 0.821 60.7 163.0 56.5 37.4 -21.4 -17.1 -9.2 32 31 A W > - 0 0 24 5,-0.4 3,-1.5 3,-0.2 -1,-0.2 -0.663 48.5 -99.5 -78.4 135.9 -21.1 -15.0 -6.0 33 32 A P T 3 S+ 0 0 71 0, 0.0 45,-0.2 0, 0.0 -1,-0.1 -0.373 105.4 12.3 -52.3 126.9 -21.9 -11.3 -6.3 34 33 A G T 3 S+ 0 0 44 1,-0.1 2,-0.3 -2,-0.1 41,-0.1 0.194 117.8 66.1 95.9 -15.8 -18.7 -9.3 -6.7 35 34 A I < - 0 0 16 -3,-1.5 -3,-0.2 39,-0.1 -1,-0.1 -0.937 57.5-153.0-138.8 155.9 -16.2 -12.1 -7.3 36 35 A T + 0 0 139 -2,-0.3 -5,-0.2 -5,-0.1 2,-0.1 0.529 64.8 103.7-103.0 -12.4 -15.5 -14.7 -10.0 37 36 A V - 0 0 52 -7,-0.1 2,-0.4 1,-0.1 -5,-0.4 -0.391 69.1-125.5 -78.4 147.0 -13.8 -17.3 -7.8 38 37 A E - 0 0 133 -8,-0.1 2,-0.3 -2,-0.1 -8,-0.3 -0.776 31.3-165.3 -86.7 136.3 -15.5 -20.5 -6.7 39 38 A L E -F 29 0B 15 -10,-3.0 -10,-3.0 -2,-0.4 2,-0.2 -0.924 31.0 -96.6-125.7 149.3 -15.4 -21.1 -2.9 40 39 A L E +F 28 0B 15 15,-0.3 15,-3.1 -2,-0.3 2,-0.3 -0.478 61.5 158.2 -59.2 122.3 -16.0 -24.0 -0.5 41 40 A S E +C 54 0A 2 -14,-2.4 2,-0.3 -2,-0.2 13,-0.2 -0.986 13.7 159.1-155.2 141.8 -19.6 -23.5 0.5 42 41 A G E -C 53 0A 15 11,-2.0 11,-3.3 -2,-0.3 2,-0.4 -0.978 32.0-120.3-162.7 155.0 -22.4 -25.6 1.9 43 42 A K E -C 52 0A 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.846 30.3-176.6-105.9 138.7 -25.7 -25.3 3.7 44 43 A I E -C 51 0A 20 7,-2.8 7,-2.9 -2,-0.4 2,-0.5 -0.919 31.1-112.4-130.1 154.9 -26.3 -27.0 7.1 45 44 A L E -C 50 0A 128 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.815 30.2-176.2 -83.7 127.1 -29.1 -27.4 9.5 46 45 A L E > -C 49 0A 14 3,-2.7 3,-1.7 -2,-0.5 2,-0.2 -0.958 66.9 -48.7-127.0 101.8 -28.3 -25.6 12.7 47 46 A G T 3 S- 0 0 71 -2,-0.5 106,-0.0 1,-0.2 0, 0.0 -0.484 122.4 -22.5 60.1-129.2 -31.1 -26.3 15.1 48 47 A A T 3 S+ 0 0 97 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.540 126.2 76.5 -86.8 -8.4 -34.4 -25.8 13.2 49 48 A D E < S- C 0 46A 114 -3,-1.7 -3,-2.7 -47,-0.0 2,-0.5 -0.620 72.6-128.4-109.6 160.8 -32.9 -23.4 10.6 50 49 A M E - C 0 45A 63 -5,-0.2 -47,-0.5 -2,-0.2 2,-0.3 -0.923 29.2-176.8-107.2 133.4 -30.8 -23.8 7.5 51 50 A V E -aC 3 44A 7 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.5 -0.941 21.1-128.0-132.7 154.3 -27.7 -21.7 7.2 52 51 A E E -aC 4 43A 30 -49,-2.9 -47,-3.4 -2,-0.3 2,-0.4 -0.885 16.8-160.0-109.8 126.3 -25.1 -21.2 4.5 53 52 A I E -aC 5 42A 0 -11,-3.3 -11,-2.0 -2,-0.5 2,-0.4 -0.878 7.6-174.9-105.5 134.9 -21.3 -21.5 5.3 54 53 A I E -aC 6 41A 0 -49,-2.5 -47,-2.7 -2,-0.4 2,-0.7 -0.993 18.2-143.9-133.0 123.9 -18.7 -20.0 2.9 55 54 A D E -a 7 0A 18 -15,-3.1 -15,-0.3 -2,-0.4 -47,-0.1 -0.789 21.9-153.3 -87.1 113.0 -15.0 -20.5 3.4 56 55 A L - 0 0 1 -49,-2.2 -47,-0.1 -2,-0.7 3,-0.1 -0.596 30.5 -85.5 -89.4 150.3 -13.3 -17.2 2.4 57 56 A P - 0 0 33 0, 0.0 -48,-0.3 0, 0.0 2,-0.2 -0.210 49.7-105.9 -48.3 138.9 -9.7 -17.1 1.2 58 57 A G + 0 0 15 -50,-0.1 2,-0.3 -48,-0.1 -48,-0.3 -0.490 48.6 180.0 -67.1 134.8 -7.1 -17.0 4.0 59 58 A I - 0 0 0 -50,-1.6 3,-0.1 -2,-0.2 40,-0.1 -0.956 34.3-153.4-138.8 158.8 -5.5 -13.5 4.2 60 59 A Y S S+ 0 0 145 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.738 85.6 31.6-101.6 -30.9 -3.0 -11.5 6.3 61 60 A D > - 0 0 1 1,-0.1 3,-2.1 198,-0.1 -1,-0.3 -0.934 57.3-156.1-136.3 112.9 -4.2 -7.9 6.0 62 61 A L T 3 S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.3 11,-0.1 0.805 102.9 40.8 -51.2 -30.7 -7.8 -6.9 5.6 63 62 A H T 3 S+ 0 0 43 195,-0.2 -1,-0.3 -3,-0.1 195,-0.2 0.105 95.1 110.0-107.8 19.7 -6.6 -3.7 4.0 64 63 A G < - 0 0 0 -3,-2.1 192,-0.1 194,-0.1 -5,-0.0 -0.308 67.7-128.8 -91.3 174.9 -3.9 -5.1 1.9 65 64 A F + 0 0 19 4,-0.1 228,-0.1 -2,-0.1 -1,-0.1 0.202 58.6 126.8-119.8 21.0 -3.7 -5.5 -1.9 66 65 A S S > S- 0 0 41 -5,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.362 75.5-108.1 -60.8 156.2 -2.8 -9.1 -2.4 67 66 A D H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.877 119.8 52.3 -59.1 -36.9 -5.3 -10.8 -4.8 68 67 A D H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 107.9 50.9 -68.0 -38.6 -6.9 -12.8 -1.8 69 68 A E H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 110.4 49.5 -61.9 -43.9 -7.4 -9.7 0.2 70 69 A Q H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 111.2 49.8 -60.5 -46.2 -9.1 -8.0 -2.7 71 70 A V H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 108.9 51.5 -60.8 -44.7 -11.4 -11.0 -3.2 72 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.924 111.8 46.7 -58.7 -48.2 -12.3 -11.2 0.5 73 72 A R H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.879 112.1 50.6 -62.5 -39.9 -13.3 -7.4 0.5 74 73 A H H X S+ 0 0 48 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 113.3 45.9 -62.9 -45.0 -15.3 -7.8 -2.7 75 74 A F H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.930 114.7 46.4 -61.5 -50.1 -17.2 -10.8 -1.2 76 75 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.6 51.4 -61.7 -39.7 -17.8 -9.1 2.1 77 76 A H H < S+ 0 0 56 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.912 121.4 31.0 -62.4 -46.8 -19.0 -5.9 0.4 78 77 A D H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.458 131.3 33.6 -94.6 -3.6 -21.5 -7.6 -1.9 79 78 A N S < S- 0 0 9 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.405 79.7-162.9-147.9 56.1 -22.5 -10.5 0.4 80 79 A V - 0 0 10 -3,-0.4 -76,-0.2 1,-0.1 -4,-0.1 -0.274 23.3-124.1 -54.3 119.4 -22.3 -9.1 3.9 81 80 A P - 0 0 2 0, 0.0 28,-0.4 0, 0.0 3,-0.2 -0.353 5.5-143.7 -67.6 144.7 -22.2 -12.1 6.2 82 81 A D S S+ 0 0 44 -78,-1.5 2,-0.3 1,-0.3 -77,-0.2 0.787 93.8 15.3 -70.6 -30.6 -24.8 -12.4 8.9 83 82 A L E -b 5 0A 0 -79,-1.9 -77,-2.5 25,-0.1 2,-0.6 -0.982 65.6-150.3-145.1 136.1 -21.9 -13.9 11.0 84 83 A A E -bd 6 110A 0 25,-3.3 27,-2.2 -2,-0.3 2,-0.9 -0.946 11.8-161.0 -99.4 113.9 -18.1 -13.9 10.6 85 84 A L E -bd 7 111A 2 -79,-2.8 -77,-2.1 -2,-0.6 2,-0.5 -0.883 15.2-158.4 -97.3 100.6 -16.8 -17.0 12.2 86 85 A V E -bd 8 112A 0 25,-2.2 27,-3.1 -2,-0.9 2,-0.6 -0.741 0.9-153.5 -93.3 123.1 -13.1 -15.9 12.7 87 86 A I E -bd 9 113A 0 -79,-3.7 -77,-0.5 -2,-0.5 2,-0.4 -0.856 13.7-177.7-104.8 119.4 -10.7 -18.8 13.0 88 87 A L E - d 0 114A 0 25,-2.9 27,-3.1 -2,-0.6 2,-0.7 -0.964 28.2-127.6-119.3 135.6 -7.4 -18.2 14.9 89 88 A N E > - d 0 115A 15 -2,-0.4 3,-1.7 25,-0.2 7,-0.2 -0.703 16.2-153.6 -77.4 109.8 -4.6 -20.7 15.5 90 89 A A G > S+ 0 0 0 25,-2.9 3,-1.8 -2,-0.7 4,-0.2 0.890 93.2 61.3 -51.3 -41.9 -4.0 -20.7 19.2 91 90 A T G 3 S+ 0 0 25 24,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.713 115.9 32.3 -60.4 -21.4 -0.4 -21.7 18.7 92 91 A Q G X> S+ 0 0 102 -3,-1.7 3,-1.4 1,-0.1 4,-1.4 -0.067 77.2 136.4-123.5 29.6 0.2 -18.5 16.8 93 92 A I H <> + 0 0 7 -3,-1.8 4,-1.6 1,-0.3 -2,-0.1 0.796 69.3 56.7 -54.2 -37.9 -2.3 -16.2 18.6 94 93 A E H 34 S+ 0 0 63 1,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.850 113.0 40.6 -60.2 -36.4 0.2 -13.2 18.8 95 94 A R H <4 S+ 0 0 63 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.690 118.3 45.7 -89.6 -18.5 0.6 -13.2 15.1 96 95 A Q H >X S+ 0 0 15 -4,-1.4 3,-1.0 -7,-0.2 4,-0.9 0.640 85.8 86.0-102.4 -15.0 -3.1 -13.8 14.1 97 96 A M H 3X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.788 77.4 69.6 -57.0 -35.1 -4.9 -11.4 16.5 98 97 A S H 3> S+ 0 0 2 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 95.7 52.1 -56.3 -38.3 -4.6 -8.4 14.0 99 98 A L H <> S+ 0 0 0 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.930 108.5 51.4 -67.8 -45.1 -7.0 -9.9 11.5 100 99 A L H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.922 111.4 46.7 -52.7 -50.5 -9.6 -10.4 14.1 101 100 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.870 111.0 52.5 -65.2 -39.2 -9.3 -6.8 15.3 102 101 A Q H X S+ 0 0 5 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.933 110.5 47.6 -57.7 -46.8 -9.4 -5.5 11.7 103 102 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.0 1,-0.2 3,-0.9 0.884 107.3 56.2 -65.1 -39.2 -12.6 -7.4 11.1 104 103 A K H ><5S+ 0 0 47 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.905 101.6 57.4 -57.1 -40.4 -14.1 -6.1 14.3 105 104 A Q H 3<5S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 94.0 68.3 -69.1 -14.3 -13.5 -2.5 13.1 106 105 A L T <<5S- 0 0 3 -3,-0.9 67,-0.3 -4,-0.7 -1,-0.3 0.569 111.2-122.5 -71.7 -9.5 -15.7 -3.4 10.0 107 106 A N T < 5 + 0 0 72 -3,-1.9 63,-0.2 -4,-0.2 -3,-0.1 0.785 58.8 152.1 67.5 30.4 -18.6 -3.6 12.4 108 107 A M < - 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0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.347 27.6-172.1 -66.8 147.4 2.5 25.3 2.7 358 165 B T > - 0 0 48 -2,-0.1 3,-1.5 -54,-0.0 4,-0.3 -0.548 18.6-176.4-132.8 61.6 1.2 22.1 4.1 359 166 B P T 3 + 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.394 68.9 8.3 -70.2 140.9 -0.7 23.4 7.1 360 167 B G T 3> S+ 0 0 47 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 0.378 91.3 123.4 73.5 -3.6 -2.2 20.7 9.4 361 168 B M H <> + 0 0 18 -3,-1.5 4,-3.3 1,-0.2 5,-0.2 0.905 70.0 51.4 -58.9 -45.6 -0.5 18.0 7.4 362 169 B A H > S+ 0 0 41 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.914 113.2 46.5 -57.5 -46.2 1.3 16.5 10.4 363 170 B E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 113.1 49.7 -60.7 -45.7 -2.0 16.3 12.2 364 171 B N H X S+ 0 0 72 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.913 110.6 49.2 -59.5 -45.5 -3.8 14.8 9.2 365 172 B V H X S+ 0 0 0 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.937 112.3 47.5 -64.5 -47.3 -1.1 12.1 8.7 366 173 B R H < S+ 0 0 90 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.866 110.6 52.9 -57.7 -41.8 -1.3 11.1 12.4 367 174 B T H >< S+ 0 0 49 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.892 108.0 50.6 -61.6 -41.8 -5.1 11.0 12.3 368 175 B Q H 3< S+ 0 0 57 -4,-2.2 3,-0.4 -67,-0.3 4,-0.3 0.760 110.4 50.1 -67.7 -25.5 -4.9 8.7 9.2 369 176 B L T 3X S+ 0 0 4 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.460 87.6 85.4 -89.0 -3.0 -2.5 6.4 11.1 370 177 B E H <> S+ 0 0 115 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.744 80.8 61.5 -78.5 -21.8 -4.7 6.2 14.3 371 178 B Q H > S+ 0 0 66 -4,-0.4 4,-1.8 -3,-0.4 -1,-0.2 0.965 108.6 44.0 -59.1 -50.7 -6.8 3.4 12.8 372 179 B D H > S+ 0 0 16 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.879 113.1 50.7 -62.9 -42.1 -3.6 1.3 12.7 373 180 B E H X S+ 0 0 43 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.859 106.1 56.0 -68.6 -31.6 -2.5 2.4 16.2 374 181 B H H X S+ 0 0 102 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.929 108.1 48.4 -63.7 -42.8 -5.9 1.5 17.6 375 182 B I H X S+ 0 0 14 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.934 114.0 46.3 -59.1 -47.7 -5.5 -2.1 16.2 376 183 B E H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.889 112.1 50.4 -64.2 -41.3 -2.0 -2.3 17.7 377 184 B A H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.942 113.0 46.2 -62.2 -48.2 -3.1 -0.9 21.1 378 185 B E H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.884 109.3 55.4 -60.6 -42.1 -6.0 -3.4 21.3 379 186 B M H X S+ 0 0 29 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 111.1 43.9 -56.5 -49.7 -3.6 -6.2 20.3 380 187 B V H X S+ 0 0 98 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 112.5 52.5 -58.7 -51.4 -1.2 -5.4 23.2 381 188 B R H X S+ 0 0 120 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.913 115.4 39.2 -51.6 -51.8 -4.1 -5.0 25.7 382 189 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.907 114.9 51.7 -72.5 -43.3 -5.7 -8.3 24.9 383 190 B L H X S+ 0 0 38 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.892 111.9 47.8 -61.4 -39.7 -2.4 -10.3 24.5 384 191 B K H < S+ 0 0 80 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 120.3 35.8 -63.9 -48.2 -1.1 -9.0 27.9 385 192 B S H < S+ 0 0 66 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.833 128.9 28.3 -79.3 -35.2 -4.3 -9.8 29.9 386 193 B A H < S+ 0 0 4 -4,-2.7 -258,-3.2 -5,-0.2 2,-0.4 0.584 110.3 59.9-108.0 -14.8 -5.5 -13.0 28.2 387 194 B V E < -G 127 0C 17 -4,-1.4 2,-0.5 -5,-0.4 -260,-0.2 -0.968 50.4-167.1-129.2 131.7 -2.4 -14.8 26.9 388 195 B Q E +G 126 0C 145 -262,-2.5 -262,-2.0 -2,-0.4 -4,-0.1 -0.959 15.3 171.8-117.6 113.4 0.7 -16.2 28.5 389 196 B I 0 0 73 -2,-0.5 -264,-0.1 -264,-0.2 -2,-0.0 -0.973 360.0 360.0-121.2 136.1 3.5 -17.3 26.1 390 197 B P 0 0 148 0, 0.0 -265,-0.0 0, 0.0 -1,-0.0 0.636 360.0 360.0 -52.7 360.0 7.0 -18.3 27.4