==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME-BINDING PROTEIN 30-JUL-10 3O72 . COMPND 2 MOLECULE: REDOX COMPONENT OF A TRIPARTITE FERROUS IRON TRAN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.LIU,Q.DU,Z.WANG,D.ZHU,Y.HUANG,N.LI,S.XU,L.GU . 1500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 70 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.5 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 3 12 0 4 8 0 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 15 8 4 0 4 4 4 2 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 4 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 48 A V > 0 0 119 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 119.7 -11.3 -9.6 32.5 2 49 A A G > + 0 0 55 1,-0.3 3,-1.5 2,-0.2 135,-0.1 0.849 360.0 53.5 -54.5 -46.5 -8.1 -9.3 34.5 3 50 A R G 3 S+ 0 0 150 1,-0.3 80,-2.9 80,-0.1 -1,-0.3 0.751 107.7 53.4 -65.7 -22.5 -9.6 -8.6 38.0 4 51 A N G < S+ 0 0 71 -3,-1.2 -1,-0.3 78,-0.2 -2,-0.2 0.429 78.3 118.3 -93.2 -2.2 -11.8 -11.8 37.7 5 52 A E < - 0 0 62 -3,-1.5 79,-3.1 -4,-0.4 80,-0.4 -0.452 44.2-173.1 -63.3 138.0 -8.9 -14.2 36.9 6 53 A K - 0 0 97 78,-0.2 50,-0.1 77,-0.2 80,-0.1 -0.988 20.1-152.7-131.4 144.9 -8.5 -16.9 39.6 7 54 A Q - 0 0 47 78,-0.6 8,-0.1 48,-0.4 78,-0.0 -0.962 39.9-102.4-108.4 136.7 -6.0 -19.6 40.3 8 55 A P - 0 0 91 0, 0.0 7,-0.1 0, 0.0 48,-0.0 -0.289 27.4-161.9 -56.9 135.5 -7.3 -22.6 42.2 9 56 A F S S+ 0 0 15 43,-0.1 353,-0.5 5,-0.1 6,-0.3 0.862 70.3 65.3 -84.7 -41.3 -6.4 -22.6 45.9 10 57 A Y + 0 0 86 351,-0.1 2,-0.3 4,-0.1 353,-0.2 -0.509 68.2 101.5 -83.4 151.4 -7.0 -26.2 46.6 11 58 A G S S- 0 0 27 351,-2.5 353,-0.1 -2,-0.2 4,-0.0 -0.946 82.1 -70.5 162.6-179.7 -5.0 -29.0 45.0 12 59 A E S S+ 0 0 151 -2,-0.3 349,-2.1 349,-0.1 2,-0.3 0.869 119.3 27.7 -66.0 -36.2 -2.3 -31.6 45.3 13 60 A H B S-A 360 0A 44 347,-0.2 349,-0.3 -3,-0.1 2,-0.2 -0.805 92.8 -99.2-119.2 161.7 0.2 -28.7 45.3 14 61 A Q - 0 0 10 345,-0.5 3,-0.5 205,-0.3 4,-0.4 -0.524 37.8-121.6 -71.4 147.3 0.1 -25.0 46.3 15 62 A A S S+ 0 0 21 -6,-0.3 -1,-0.1 72,-0.3 71,-0.1 -0.334 90.5 61.8 -75.6 171.3 -0.4 -22.4 43.6 16 63 A G S S+ 0 0 0 -2,-0.1 -1,-0.2 72,-0.1 72,-0.1 0.375 92.8 73.7 88.1 -4.0 2.2 -19.7 43.1 17 64 A I S S+ 0 0 1 -3,-0.5 -2,-0.1 178,-0.0 307,-0.1 0.838 113.6 13.0-102.7 -63.7 4.9 -22.3 42.2 18 65 A L S S+ 0 0 39 -4,-0.4 -3,-0.1 2,-0.1 3,-0.1 0.627 101.7 117.6 -84.3 -17.8 4.1 -23.5 38.7 19 66 A T S S- 0 0 15 1,-0.1 3,-0.1 -12,-0.0 67,-0.0 -0.232 79.9-104.6 -51.1 131.7 1.6 -20.6 38.3 20 67 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.396 52.9 -88.5 -57.2 138.0 2.7 -18.3 35.4 21 68 A Q - 0 0 41 -3,-0.1 154,-0.2 -4,-0.1 155,-0.2 -0.278 39.6-147.4 -58.0 126.1 4.1 -15.2 37.0 22 69 A Q - 0 0 3 2,-0.2 115,-0.2 -3,-0.1 -1,-0.1 -0.396 27.2-107.2 -82.4 168.1 1.7 -12.4 37.8 23 70 A A S S+ 0 0 9 -2,-0.1 144,-1.6 143,-0.1 2,-0.4 0.759 96.3 44.3 -74.4 -26.3 2.8 -8.8 37.6 24 71 A A E +BC 136 166B 11 112,-2.4 112,-2.0 142,-0.2 2,-0.3 -0.908 63.9 163.3-122.4 146.8 3.0 -7.9 41.3 25 72 A X E -BC 135 165B 1 140,-2.1 140,-2.3 -2,-0.4 2,-0.3 -0.991 19.2-157.6-154.6 166.5 4.4 -9.8 44.2 26 73 A X E -BC 134 164B 0 108,-1.8 108,-2.5 -2,-0.3 2,-0.5 -0.994 8.0-154.7-142.5 140.7 5.5 -9.6 47.8 27 74 A L E +BC 133 163B 0 136,-2.9 136,-2.4 -2,-0.3 2,-0.4 -0.981 23.4 176.0-105.8 126.7 7.8 -11.8 49.9 28 75 A V E -BC 132 162B 0 104,-2.2 104,-2.7 -2,-0.5 2,-0.3 -0.957 11.7-163.3-136.8 119.5 6.9 -11.4 53.6 29 76 A A E -BC 131 161B 0 132,-2.5 131,-3.3 -2,-0.4 132,-1.3 -0.777 10.7-162.8 -97.8 145.1 8.5 -13.4 56.4 30 77 A F E -BC 130 159B 0 100,-3.1 100,-1.8 -2,-0.3 99,-0.9 -0.941 22.6-131.7-126.1 148.7 7.0 -13.7 59.8 31 78 A D E - C 0 158B 53 127,-3.0 127,-2.3 -2,-0.3 2,-0.4 -0.836 36.0-128.8 -82.1 134.1 8.1 -14.7 63.3 32 79 A V E - C 0 157B 7 -2,-0.5 125,-0.3 125,-0.2 124,-0.1 -0.773 20.9-169.7 -86.8 131.6 5.4 -17.2 64.6 33 80 A L + 0 0 80 123,-3.1 124,-0.2 -2,-0.4 -1,-0.1 0.502 44.5 122.3 -99.8 -8.6 4.1 -16.2 68.0 34 81 A A - 0 0 5 122,-0.8 122,-0.1 1,-0.1 -2,-0.1 -0.250 45.0-163.5 -52.0 140.0 2.2 -19.4 68.7 35 82 A S + 0 0 83 65,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.652 67.6 40.6-103.3 -18.6 3.4 -21.1 72.0 36 83 A D S > S- 0 0 87 1,-0.1 4,-2.0 64,-0.1 64,-0.1 -0.824 82.0-116.2-122.4 160.8 2.0 -24.6 71.5 37 84 A K H > S+ 0 0 83 -2,-0.3 4,-2.2 62,-0.2 5,-0.2 0.852 121.4 60.1 -60.2 -32.1 1.6 -27.0 68.6 38 85 A A H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 104.2 46.1 -60.4 -46.8 -2.1 -26.4 69.3 39 86 A D H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 110.1 55.3 -63.4 -38.4 -1.7 -22.6 68.6 40 87 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.898 107.1 49.1 -63.1 -40.0 0.3 -23.4 65.5 41 88 A E H X S+ 0 0 66 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.915 109.4 51.7 -65.4 -42.3 -2.6 -25.6 64.2 42 89 A R H X S+ 0 0 110 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 111.7 48.3 -59.9 -42.4 -5.1 -22.9 64.9 43 90 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.953 111.5 48.3 -61.9 -49.1 -2.9 -20.5 63.0 44 91 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 325,-0.5 0.891 113.3 48.2 -61.7 -39.4 -2.5 -22.9 60.0 45 92 A R H X S+ 0 0 111 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.906 113.0 48.2 -63.2 -44.1 -6.2 -23.4 59.9 46 93 A L H X S+ 0 0 37 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.948 110.6 50.4 -64.1 -48.9 -6.9 -19.7 60.1 47 94 A L H X S+ 0 0 2 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.891 108.5 52.8 -54.1 -43.5 -4.4 -18.9 57.3 48 95 A T H X S+ 0 0 6 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.924 109.8 49.3 -61.1 -44.1 -6.0 -21.6 55.1 49 96 A Q H X S+ 0 0 123 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.935 113.3 45.0 -60.2 -47.8 -9.3 -19.9 55.6 50 97 A R H X S+ 0 0 40 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.950 114.5 48.3 -63.9 -46.4 -8.1 -16.5 54.8 51 98 A F H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.889 110.3 52.3 -60.7 -40.7 -6.1 -17.6 51.7 52 99 A A H X S+ 0 0 15 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.948 114.2 42.5 -62.3 -47.2 -9.1 -19.6 50.4 53 100 A F H >X S+ 0 0 57 -4,-2.2 4,-1.8 -5,-0.2 3,-0.5 0.965 116.7 45.8 -61.8 -53.5 -11.4 -16.5 50.7 54 101 A L H 3< S+ 0 0 1 -4,-2.9 31,-0.2 1,-0.2 -2,-0.2 0.886 111.6 50.2 -58.7 -44.7 -8.9 -14.0 49.3 55 102 A T H 3< S+ 0 0 3 -4,-2.3 -48,-0.4 -5,-0.3 -1,-0.2 0.754 116.4 40.7 -70.3 -25.2 -7.8 -16.0 46.3 56 103 A Q H << S- 0 0 63 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.660 106.2-136.5-100.8 -17.8 -11.3 -16.8 45.1 57 104 A G < + 0 0 17 -4,-1.8 2,-0.3 24,-0.2 24,-0.2 0.179 34.2 154.9 86.6 158.9 -12.8 -13.4 45.8 58 105 A G E -L 80 0C 13 22,-1.9 22,-3.5 -4,-0.1 2,-0.2 -0.983 48.7 -37.2 168.4-174.0 -16.0 -12.1 47.3 59 106 A A E -L 79 0C 72 -2,-0.3 20,-0.2 20,-0.2 19,-0.1 -0.510 67.6-103.8 -73.9 141.7 -17.8 -9.3 49.0 60 107 A A - 0 0 19 18,-2.8 -1,-0.1 -2,-0.2 12,-0.1 -0.435 44.2 -96.5 -64.6 139.0 -15.6 -7.4 51.6 61 108 A P - 0 0 39 0, 0.0 11,-0.2 0, 0.0 10,-0.1 -0.382 46.1-134.0 -53.0 130.3 -16.5 -8.3 55.2 62 109 A E - 0 0 137 9,-0.1 3,-0.1 8,-0.1 -3,-0.0 -0.425 3.0-136.5 -89.7 167.1 -18.9 -5.6 56.6 63 110 A T + 0 0 27 1,-0.1 5,-0.1 -2,-0.1 -1,-0.0 -0.663 26.2 170.2-125.4 74.8 -18.7 -3.8 59.9 64 111 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.819 75.4 52.4 -57.1 -36.9 -22.3 -3.7 61.3 65 112 A N S > S- 0 0 48 -3,-0.1 3,-1.7 1,-0.1 551,-0.2 -0.890 70.2-166.8-104.4 105.1 -21.0 -2.4 64.7 66 113 A P T 3 S+ 0 0 49 0, 0.0 551,-2.9 0, 0.0 552,-0.4 0.534 80.4 77.4 -72.2 -5.9 -18.8 0.7 64.1 67 114 A R T 3 S+ 0 0 170 549,-0.2 -2,-0.0 548,-0.2 551,-0.0 0.610 90.4 71.7 -75.2 -10.4 -17.5 0.5 67.7 68 115 A L S < S- 0 0 89 -3,-1.7 548,-2.3 547,-0.1 549,-0.3 -0.722 101.5 -94.0 -98.9 153.5 -15.3 -2.3 66.3 69 116 A P - 0 0 29 0, 0.0 -4,-0.1 0, 0.0 544,-0.1 -0.345 59.6 -86.0 -57.1 145.8 -12.3 -2.0 64.0 70 117 A P - 0 0 10 0, 0.0 -8,-0.1 0, 0.0 -7,-0.1 -0.302 31.5-135.5 -55.1 140.0 -13.4 -2.5 60.3 71 118 A L S S+ 0 0 69 -10,-0.1 2,-0.3 -3,-0.1 -9,-0.1 0.664 92.5 37.3 -74.5 -17.6 -13.4 -6.2 59.5 72 119 A D S S- 0 0 13 -11,-0.2 -1,-0.1 -12,-0.1 -12,-0.0 -0.975 84.1-125.3-130.1 147.9 -11.7 -5.3 56.2 73 120 A S - 0 0 9 -2,-0.3 -1,-0.1 71,-0.2 -2,-0.0 0.754 37.0-138.9 -62.1 -28.5 -9.0 -2.6 55.5 74 121 A G > + 0 0 16 3,-0.2 3,-1.5 1,-0.0 -1,-0.1 0.392 64.6 125.1 88.9 -2.4 -11.2 -1.2 52.8 75 122 A I T 3 S+ 0 0 12 1,-0.3 482,-0.2 484,-0.1 3,-0.1 0.672 78.2 43.2 -73.4 -14.3 -8.4 -0.5 50.3 76 123 A L T 3 S- 0 0 22 1,-0.4 3,-0.5 65,-0.1 -1,-0.3 0.440 108.9-131.3 -98.8 -4.8 -10.0 -2.5 47.6 77 124 A G < - 0 0 22 -3,-1.5 -1,-0.4 1,-0.2 -3,-0.2 -0.565 56.4 -29.6 84.4-153.3 -13.5 -1.0 48.2 78 125 A G S S+ 0 0 62 -2,-0.2 -18,-2.8 550,-0.1 2,-0.5 0.690 123.4 57.2 -80.3 -22.9 -16.6 -3.2 48.6 79 126 A Y E -L 59 0C 127 -3,-0.5 2,-1.1 -20,-0.2 -20,-0.2 -0.948 68.1-148.8-114.9 128.8 -15.7 -6.2 46.3 80 127 A I E -L 58 0C 2 -22,-3.5 -22,-1.9 -2,-0.5 -3,-0.1 -0.774 22.1-159.0 -94.2 90.4 -12.6 -8.3 46.9 81 128 A A - 0 0 18 -2,-1.1 -24,-0.2 -24,-0.2 -77,-0.1 -0.434 18.9-132.8 -71.0 147.6 -11.7 -9.3 43.3 82 129 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -78,-0.2 0.894 29.2-173.9 -70.0 -40.3 -9.5 -12.4 43.1 83 130 A D T 3 - 0 0 8 -80,-2.9 54,-2.8 1,-0.3 55,-0.3 0.768 70.0 -61.1 55.5 33.6 -7.2 -10.6 40.6 84 131 A N T 3 S+ 0 0 2 -79,-3.1 -1,-0.3 -81,-0.2 -78,-0.2 0.784 86.3 176.3 68.0 28.0 -5.2 -13.7 39.9 85 132 A L < + 0 0 2 -3,-1.8 -78,-0.6 -80,-0.4 2,-0.4 -0.425 11.4 177.7 -71.1 134.3 -4.1 -13.9 43.5 86 133 A T E -D 135 0B 3 49,-2.6 49,-2.4 -2,-0.2 2,-0.4 -0.993 10.8-165.7-130.8 143.5 -1.9 -16.7 44.8 87 134 A I E -D 134 0B 5 -2,-0.4 2,-0.5 47,-0.2 -72,-0.3 -0.977 5.2-168.6-129.5 117.4 -0.5 -17.2 48.3 88 135 A T E -D 133 0B 0 45,-2.6 45,-2.4 -2,-0.4 2,-0.5 -0.928 8.1-153.9-110.3 124.0 2.2 -19.8 48.8 89 136 A L E +D 132 0B 0 -2,-0.5 270,-2.0 43,-0.2 2,-0.3 -0.847 17.0 173.7-100.6 128.9 3.2 -20.7 52.4 90 137 A S E -DE 131 358B 0 41,-2.5 41,-2.3 -2,-0.5 2,-0.4 -0.926 19.5-138.6-130.7 157.8 6.6 -22.0 53.3 91 138 A V E -DE 130 357B 0 266,-2.0 266,-2.4 -2,-0.3 39,-0.3 -0.929 14.0-137.4-121.7 140.8 8.3 -22.8 56.6 92 139 A G E > - E 0 356B 2 37,-2.5 3,-1.6 -2,-0.4 4,-0.3 -0.402 31.6 -99.3 -91.7 167.9 11.9 -22.1 57.7 93 140 A H G > S+ 0 0 78 262,-0.6 3,-1.8 18,-0.3 19,-0.1 0.846 117.5 64.7 -46.2 -40.9 14.4 -24.2 59.6 94 141 A S G > S+ 0 0 44 1,-0.3 3,-1.2 34,-0.3 -1,-0.2 0.691 86.1 69.3 -68.6 -18.0 13.6 -22.4 62.9 95 142 A L G < S+ 0 0 0 -3,-1.6 7,-0.3 1,-0.3 5,-0.3 0.703 92.9 62.5 -67.7 -17.4 10.0 -23.8 62.9 96 143 A F G < S+ 0 0 11 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.122 83.9 102.4-100.3 22.0 11.5 -27.2 63.7 97 144 A D S < >S- 0 0 44 -3,-1.2 5,-0.5 5,-0.1 6,-0.5 0.216 94.9 -65.4 -82.9-150.4 13.1 -26.2 67.0 98 145 A E T > 5S+ 0 0 162 1,-0.2 3,-0.7 2,-0.1 -3,-0.1 0.755 111.9 79.8 -78.2 -25.1 11.8 -27.0 70.5 99 146 A R T 3 5S+ 0 0 82 1,-0.2 -62,-0.2 2,-0.1 -1,-0.2 0.809 105.8 18.7 -56.4 -41.9 8.6 -25.0 70.4 100 147 A F T 3 5S- 0 0 6 -3,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 0.239 96.3-115.7-123.1 11.9 6.2 -27.3 68.5 101 148 A G T < 5S+ 0 0 54 -3,-0.7 -3,-0.1 -4,-0.3 -5,-0.1 0.781 76.1 126.5 58.5 31.8 7.9 -30.8 68.6 102 149 A L > < + 0 0 1 -5,-0.5 3,-2.2 -7,-0.3 4,-0.4 0.444 32.2 105.1 -97.4 -1.8 8.4 -30.8 64.8 103 150 A A G > S+ 0 0 57 -6,-0.5 3,-2.0 1,-0.3 -1,-0.2 0.892 78.9 53.0 -45.3 -50.6 12.1 -31.6 64.9 104 151 A P G 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.767 107.1 57.3 -58.1 -20.7 11.6 -35.2 63.9 105 152 A Q G < S+ 0 0 47 -3,-2.2 -2,-0.2 -4,-0.1 112,-0.1 0.482 76.2 130.5 -88.7 -3.8 9.6 -33.8 61.0 106 153 A X < - 0 0 53 -3,-2.0 -13,-0.0 -4,-0.4 -3,-0.0 -0.266 66.9-109.0 -63.8 133.5 12.3 -31.6 59.5 107 154 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.297 32.9-118.9 -54.3 140.6 12.9 -31.9 55.7 108 155 A K T 3 S+ 0 0 121 1,-0.3 105,-0.1 104,-0.2 -2,-0.1 0.746 108.3 35.2 -64.6 -27.3 16.3 -33.6 55.3 109 156 A K T 3 S+ 0 0 48 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.423 86.4 119.0-105.3 -2.3 18.0 -30.7 53.5 110 157 A L < + 0 0 7 -3,-1.1 2,-0.3 -18,-0.1 -18,-0.1 -0.449 36.8 149.5 -67.3 135.3 16.3 -27.8 55.2 111 158 A Q - 0 0 57 -2,-0.1 -18,-0.3 3,-0.0 2,-0.3 -0.963 52.6 -82.6-156.0 165.9 18.8 -25.6 57.0 112 159 A K - 0 0 127 -2,-0.3 2,-0.2 -19,-0.1 242,-0.1 -0.623 55.1-109.6 -73.4 131.8 19.4 -22.0 58.1 113 160 A X - 0 0 3 -2,-0.3 2,-0.3 242,-0.1 -1,-0.1 -0.480 37.3-166.4 -63.5 130.9 20.9 -20.0 55.2 114 161 A T - 0 0 96 -2,-0.2 240,-0.0 1,-0.1 -3,-0.0 -0.872 30.0 -84.3-117.6 155.5 24.6 -19.1 55.8 115 162 A R - 0 0 146 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.163 30.2-146.0 -66.0 146.2 26.6 -16.6 53.8 116 163 A F > - 0 0 24 234,-0.1 3,-2.2 1,-0.0 -1,-0.1 -0.631 40.1 -94.8 -94.7 166.4 28.3 -17.2 50.5 117 164 A P T 3 S+ 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.727 124.8 48.3 -60.7 -24.8 31.6 -15.4 49.7 118 165 A N T 3 S+ 0 0 42 2,-0.0 2,-0.2 231,-0.0 -3,-0.0 0.399 91.0 118.2 -93.8 8.3 29.9 -12.5 47.8 119 166 A D < + 0 0 6 -3,-2.2 232,-0.2 230,-0.1 -4,-0.0 -0.440 39.0 179.3 -82.2 143.4 27.3 -12.0 50.5 120 167 A S - 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0 0 13 4,-3.1 3,-2.1 -2,-0.5 137,-0.1 -0.231 31.1 -93.7 -81.9 178.4 -5.7 5.5 50.0 559 230 B L T 3 S+ 0 0 5 1,-0.3 -484,-0.1 135,-0.2 -1,-0.1 0.469 124.4 62.0 -79.6 0.6 -3.9 2.9 52.2 560 231 B L T 3 S- 0 0 2 2,-0.2 -1,-0.3 -486,-0.1 3,-0.1 0.357 120.5-110.5 -92.1 -1.7 -6.1 3.9 55.2 561 232 B G S < S+ 0 0 3 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.635 77.2 125.4 86.0 15.1 -9.0 2.7 53.1 562 233 B F - 0 0 9 -487,-0.0 -4,-3.1 68,-0.0 -1,-0.3 -0.863 69.1-106.9-106.6 140.4 -10.6 6.1 52.5 563 234 B K B -Z 557 0H 60 -2,-0.4 2,-0.4 64,-0.4 -6,-0.3 -0.419 39.7-160.6 -55.8 137.0 -11.4 7.6 49.1 564 235 B D + 0 0 45 -8,-3.0 -1,-0.0 1,-0.1 114,-0.0 -0.930 64.5 34.8-137.7 106.7 -8.8 10.3 48.5 565 236 B G S > S+ 0 0 18 -2,-0.4 3,-2.1 -10,-0.1 111,-0.1 0.139 71.2 124.8 136.3 -16.0 -9.4 13.1 45.9 566 237 B T T 3 S+ 0 0 15 1,-0.3 -2,-0.1 -10,-0.2 65,-0.0 0.841 76.4 40.3 -39.2 -58.6 -13.1 13.6 46.3 567 238 B A T 3 S+ 0 0 43 3,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.337 80.8 133.9 -85.8 8.6 -13.1 17.4 47.0 568 239 B N < - 0 0 43 -3,-2.1 107,-0.1 1,-0.1 3,-0.1 -0.247 65.9-103.9 -52.5 141.7 -10.4 18.5 44.6 569 240 B P - 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