==== 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 UNKNOWN FUNCTION 28-NOV-07 3BHN . COMPND 2 MOLECULE: THIJ/PFPI DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA PV-4; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 2 0 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 X 0 0 151 0, 0.0 30,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 119.3 4.0 55.6 12.7 2 2 A Y E -a 31 0A 83 28,-2.3 30,-2.7 1,-0.0 2,-0.6 -0.453 360.0-124.0 -81.9 152.8 3.6 57.1 16.2 3 3 A K E -a 32 0A 47 28,-0.2 60,-2.2 -2,-0.1 61,-2.0 -0.874 26.5-170.6 -99.4 119.7 0.3 57.1 18.1 4 4 A V E -ab 33 64A 0 28,-2.7 30,-2.8 -2,-0.6 2,-0.5 -0.957 2.5-164.7-110.6 127.6 -0.9 60.6 19.2 5 5 A G E -ab 34 65A 0 59,-2.8 61,-3.0 -2,-0.5 2,-0.6 -0.954 5.5-158.3-113.2 128.3 -3.8 61.0 21.6 6 6 A I E -ab 35 66A 0 28,-2.7 30,-3.5 -2,-0.5 2,-0.6 -0.939 16.6-140.9-104.0 119.9 -5.6 64.3 22.1 7 7 A V E -ab 36 67A 0 59,-3.3 61,-1.7 -2,-0.6 2,-0.3 -0.753 27.0-176.4 -87.4 119.9 -7.5 64.4 25.4 8 8 A L + 0 0 0 28,-3.0 2,-0.3 -2,-0.6 30,-0.2 -0.760 13.2 170.1-117.1 163.8 -10.8 66.2 25.1 9 9 A F > - 0 0 8 -2,-0.3 3,-0.8 60,-0.1 33,-0.1 -0.950 46.1 -68.4-163.7 163.7 -13.7 67.2 27.4 10 10 A D T 3 S+ 0 0 39 -2,-0.3 34,-0.2 1,-0.2 67,-0.1 -0.338 114.1 25.2 -66.9 148.6 -16.9 69.3 27.2 11 11 A D T 3 S+ 0 0 58 32,-2.8 62,-1.2 1,-0.2 61,-0.4 0.790 81.2 164.7 65.3 34.6 -16.4 73.1 26.8 12 12 A F B < -g 44 0B 0 -3,-0.8 33,-2.7 31,-0.7 2,-0.4 -0.504 48.3 -97.0 -71.6 150.1 -13.0 72.8 25.3 13 13 A T > - 0 0 38 56,-2.2 4,-2.0 31,-0.2 56,-0.3 -0.597 29.7-147.3 -74.4 119.5 -11.7 76.0 23.5 14 14 A D H > S+ 0 0 17 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.917 92.0 50.3 -54.0 -53.6 -12.4 75.8 19.8 15 15 A V H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 111.5 48.1 -63.0 -38.1 -9.4 77.7 18.5 16 16 A D H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 114.9 45.7 -64.7 -45.0 -6.9 75.7 20.5 17 17 A F H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.946 114.7 45.1 -64.4 -50.8 -8.4 72.4 19.5 18 18 A F H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.867 115.2 47.8 -66.7 -36.5 -8.7 73.1 15.8 19 19 A L H X S+ 0 0 28 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.904 113.0 47.9 -66.5 -44.9 -5.2 74.6 15.5 20 20 A X H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.943 115.8 45.3 -56.8 -49.6 -3.7 71.7 17.4 21 21 A N H X S+ 0 0 61 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.899 112.5 51.2 -64.0 -40.0 -5.5 69.2 15.2 22 22 A D H < S+ 0 0 59 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.946 109.4 49.1 -65.4 -48.6 -4.7 71.1 12.0 23 23 A L H >< S+ 0 0 2 -4,-2.7 3,-1.8 1,-0.2 4,-0.2 0.939 111.9 48.3 -56.2 -49.0 -0.9 71.3 12.8 24 24 A L H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.854 108.4 56.8 -62.4 -32.2 -0.8 67.5 13.5 25 25 A G T 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.485 82.8 85.2 -78.1 -0.4 -2.7 66.9 10.3 26 26 A R T < S+ 0 0 82 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.614 89.0 54.3 -80.4 -8.4 -0.1 68.7 8.2 27 27 A T < - 0 0 6 -3,-1.0 4,-0.3 -4,-0.2 3,-0.1 -0.981 59.1-174.7-123.6 137.6 2.0 65.5 8.0 28 28 A S S S+ 0 0 110 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.475 81.6 50.0-106.6 -6.5 0.5 62.2 6.8 29 29 A D S S+ 0 0 104 1,-0.0 -1,-0.1 3,-0.0 3,-0.1 -0.005 99.0 63.9-122.5 25.4 3.5 59.9 7.4 30 30 A S S S- 0 0 0 1,-0.4 -28,-2.3 -3,-0.1 2,-0.3 0.778 103.5 -11.1-114.9 -49.1 4.3 60.8 11.0 31 31 A W E -a 2 0A 9 -4,-0.3 2,-0.5 -30,-0.3 -1,-0.4 -0.973 50.0-122.4-156.5 160.1 1.6 59.8 13.4 32 32 A T E -a 3 0A 68 -30,-2.7 -28,-2.7 -2,-0.3 2,-0.5 -0.957 30.7-147.3-113.0 126.3 -2.0 58.7 13.7 33 33 A V E -a 4 0A 40 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.818 14.9-175.5-102.0 132.0 -4.1 61.0 15.8 34 34 A R E -a 5 0A 60 -30,-2.8 -28,-2.7 -2,-0.5 2,-0.6 -0.979 22.5-134.6-125.8 136.9 -7.0 59.8 18.0 35 35 A I E -a 6 0A 12 -2,-0.4 18,-2.9 -30,-0.2 19,-1.7 -0.804 25.9-163.6 -87.8 119.9 -9.4 62.0 20.0 36 36 A L E +ac 7 54A 0 -30,-3.5 -28,-3.0 -2,-0.6 19,-0.2 -0.902 22.2 140.3-112.7 133.7 -9.8 60.5 23.5 37 37 A G E - c 0 55A 1 17,-2.0 19,-2.2 -2,-0.4 20,-0.2 -0.781 58.9-104.3-150.5-170.0 -12.7 61.5 25.9 38 38 A T S S+ 0 0 51 -2,-0.2 17,-0.1 17,-0.2 -29,-0.1 0.440 98.8 45.2-104.0 -8.7 -15.2 60.2 28.4 39 39 A K S S- 0 0 90 15,-0.1 13,-0.2 1,-0.1 15,-0.1 -0.926 87.7-108.7-134.6 157.9 -18.2 60.4 26.0 40 40 A P S S+ 0 0 110 0, 0.0 12,-2.4 0, 0.0 2,-0.3 0.837 108.6 15.4 -51.6 -35.4 -19.1 59.4 22.5 41 41 A E E -H 51 0C 105 10,-0.3 2,-0.3 -3,-0.0 10,-0.2 -0.994 67.5-158.9-138.6 145.0 -19.1 63.1 21.6 42 42 A H E -H 50 0C 3 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.913 14.6-138.6-115.7 152.1 -17.8 66.2 23.3 43 43 A H E -H 49 0C 71 -2,-0.3 -32,-2.8 6,-0.2 -31,-0.7 -0.882 13.7-133.7-109.1 140.8 -19.0 69.8 22.7 44 44 A S B > -g 12 0B 0 4,-2.2 3,-1.8 -2,-0.4 -31,-0.2 -0.288 37.7 -93.4 -76.6 175.1 -16.8 72.8 22.4 45 45 A Q T 3 S+ 0 0 80 -33,-2.7 -32,-0.1 1,-0.3 -1,-0.1 0.840 131.6 47.2 -59.1 -34.2 -17.4 76.1 24.2 46 46 A L T 3 S- 0 0 128 -34,-0.3 -1,-0.3 2,-0.1 -33,-0.1 0.412 125.1-103.4 -87.8 2.5 -19.2 77.2 21.0 47 47 A G < + 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.629 66.3 152.9 84.0 17.3 -21.2 74.0 20.7 48 48 A X - 0 0 98 1,-0.0 -4,-2.2 2,-0.0 2,-0.5 -0.592 40.1-131.2 -72.5 141.8 -19.2 72.3 18.0 49 49 A T E -H 43 0C 86 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.828 22.9-175.0-105.2 124.6 -19.5 68.5 18.3 50 50 A V E -H 42 0C 22 -8,-2.8 -8,-2.5 -2,-0.5 2,-0.3 -0.971 18.5-138.5-119.3 125.4 -16.4 66.2 18.1 51 51 A K E -H 41 0C 104 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.3 -0.573 20.6-126.9 -77.4 138.8 -16.7 62.5 18.1 52 52 A T - 0 0 31 -12,-2.4 -16,-0.2 -2,-0.3 3,-0.1 -0.666 8.6-155.8 -83.9 145.8 -14.2 60.6 20.2 53 53 A D S S- 0 0 94 -18,-2.9 2,-0.3 -2,-0.3 -17,-0.2 0.624 74.9 -19.3 -88.8 -21.3 -12.1 57.8 18.7 54 54 A G E S-c 36 0A 12 -19,-1.7 -17,-2.0 -15,-0.1 -1,-0.2 -0.971 80.1 -67.3-169.9-178.3 -11.6 56.2 22.1 55 55 A H E > -c 37 0A 86 -2,-0.3 3,-2.5 -19,-0.2 -17,-0.2 -0.493 42.2-114.2 -82.7 150.9 -11.7 56.5 25.9 56 56 A V G > S+ 0 0 0 -19,-2.2 3,-2.0 1,-0.3 4,-0.2 0.817 112.7 71.4 -50.5 -33.7 -9.3 58.6 27.9 57 57 A S G > S+ 0 0 58 1,-0.3 3,-1.5 -20,-0.2 -1,-0.3 0.735 81.1 75.1 -54.1 -27.1 -8.0 55.3 29.4 58 58 A E G X + 0 0 52 -3,-2.5 3,-1.8 1,-0.3 4,-0.4 0.494 65.3 91.9 -71.3 -2.2 -6.3 54.7 26.0 59 59 A V G X S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.3 -1,-0.3 0.805 74.7 70.8 -54.2 -30.2 -3.7 57.3 26.8 60 60 A K G < S+ 0 0 155 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.776 97.4 48.8 -52.8 -29.9 -1.8 54.3 28.1 61 61 A E G < S+ 0 0 114 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.482 93.5 101.8 -91.5 -11.3 -1.4 53.1 24.5 62 62 A Q < - 0 0 5 -3,-1.3 -58,-0.2 -4,-0.4 3,-0.1 -0.483 57.4-155.4 -88.2 150.7 -0.1 56.4 23.0 63 63 A D S S+ 0 0 60 -60,-2.2 32,-2.5 1,-0.3 2,-0.4 0.745 94.0 27.3 -82.4 -27.8 3.4 57.6 22.1 64 64 A V E -bd 4 95A 0 -61,-2.0 -59,-2.8 30,-0.2 2,-0.4 -0.999 68.4-167.9-136.9 132.2 2.3 61.2 22.6 65 65 A V E -bd 5 96A 0 30,-2.6 32,-2.8 -2,-0.4 2,-0.4 -0.993 7.7-171.3-122.5 127.2 -0.5 62.5 24.8 66 66 A L E -bd 6 97A 0 -61,-3.0 -59,-3.3 -2,-0.4 2,-0.6 -0.965 11.7-151.4-121.6 129.5 -1.8 66.1 24.5 67 67 A I E -bd 7 98A 0 30,-2.7 32,-1.7 -2,-0.4 35,-0.2 -0.878 15.7-153.1 -97.3 123.4 -4.1 67.9 26.8 68 68 A T - 0 0 0 -61,-1.7 2,-0.2 -2,-0.6 -60,-0.0 -0.119 16.5-114.2 -85.9-173.4 -6.3 70.6 25.2 69 69 A S + 0 0 5 -56,-0.3 -56,-2.2 32,-0.1 2,-0.2 -0.695 29.3 168.0-122.9 170.5 -7.7 73.6 27.0 70 70 A G > - 0 0 1 -58,-0.3 4,-1.8 -2,-0.2 -58,-0.1 -0.715 31.2-139.0 176.8 129.9 -11.0 75.2 28.1 71 71 A Y T 4 S+ 0 0 208 -2,-0.2 -1,-0.1 2,-0.2 -59,-0.1 0.969 111.5 14.2 -63.1 -55.7 -11.9 78.1 30.4 72 72 A R T > S+ 0 0 76 -61,-0.4 4,-1.6 2,-0.1 5,-0.2 0.797 125.2 64.9 -84.8 -31.7 -14.9 76.3 31.9 73 73 A G H > S+ 0 0 1 -62,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.882 97.3 51.7 -61.0 -41.7 -13.9 72.9 30.5 74 74 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -63,-0.3 5,-0.2 0.956 107.5 49.1 -68.1 -51.8 -10.7 72.4 32.5 75 75 A P H > S+ 0 0 58 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.897 112.5 50.4 -53.2 -40.7 -12.1 73.1 36.0 76 76 A A H < S+ 0 0 58 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.894 109.7 50.7 -59.6 -42.7 -14.9 70.7 35.3 77 77 A A H >< S+ 0 0 5 -4,-2.0 3,-1.2 1,-0.2 7,-0.4 0.898 105.9 54.8 -64.4 -40.1 -12.4 68.0 34.1 78 78 A L H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 107.5 51.1 -63.3 -31.8 -10.3 68.4 37.2 79 79 A Q T 3< S+ 0 0 136 -4,-1.2 2,-0.9 -5,-0.2 -1,-0.3 0.501 88.9 93.8 -83.6 -5.5 -13.4 67.7 39.4 80 80 A D <> - 0 0 60 -3,-1.2 4,-2.6 -4,-0.5 5,-0.2 -0.785 57.7-168.0 -92.2 102.3 -14.2 64.5 37.4 81 81 A E H > S+ 0 0 71 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.845 87.0 51.4 -59.9 -38.0 -12.6 61.6 39.3 82 82 A N H > S+ 0 0 138 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.903 110.9 48.4 -71.5 -34.4 -13.1 59.1 36.4 83 83 A F H >> S+ 0 0 2 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.965 115.7 43.6 -62.6 -52.1 -11.4 61.5 33.9 84 84 A X H >< S+ 0 0 26 -4,-2.6 3,-0.9 -7,-0.4 -2,-0.2 0.898 112.1 52.2 -66.1 -38.7 -8.5 62.2 36.2 85 85 A S H 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.733 104.2 58.4 -72.2 -21.1 -8.0 58.5 37.2 86 86 A A H << S+ 0 0 16 -4,-1.2 2,-2.0 -3,-0.5 -1,-0.2 0.740 86.0 85.2 -73.5 -23.9 -7.9 57.4 33.5 87 87 A L << + 0 0 4 -3,-0.9 2,-0.9 -4,-0.8 -1,-0.2 -0.529 49.8 158.7 -88.6 76.3 -5.0 59.7 32.9 88 88 A K - 0 0 129 -2,-2.0 2,-0.3 -31,-0.1 -3,-0.1 -0.864 21.0-177.5 -97.6 98.5 -2.1 57.4 33.9 89 89 A L - 0 0 23 -2,-0.9 -29,-0.1 20,-0.1 7,-0.0 -0.750 18.6-161.4-106.6 146.3 0.8 59.0 32.0 90 90 A D >> - 0 0 63 -2,-0.3 3,-2.1 1,-0.1 4,-1.1 -0.842 6.6-169.0-132.1 96.4 4.4 57.8 31.9 91 91 A P T 34 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.658 86.6 66.3 -59.3 -17.3 7.0 60.4 30.8 92 92 A S T 34 S+ 0 0 97 1,-0.2 3,-0.1 3,-0.1 51,-0.0 0.709 118.9 22.0 -72.8 -20.2 9.7 57.6 30.5 93 93 A R T <4 S+ 0 0 88 -3,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.380 123.5 47.7-126.6 -2.3 7.7 56.1 27.6 94 94 A Q < - 0 0 10 -4,-1.1 2,-0.4 -29,-0.0 -30,-0.2 -0.999 69.7-124.9-143.2 145.7 5.5 59.0 26.2 95 95 A L E -d 64 0A 12 -32,-2.5 -30,-2.6 -2,-0.3 2,-0.4 -0.778 35.0-163.8 -85.0 135.3 5.9 62.6 25.1 96 96 A I E +de 65 145A 0 48,-2.8 50,-2.5 -2,-0.4 2,-0.3 -0.976 14.2 165.7-128.1 127.2 3.3 64.5 27.2 97 97 A G E -de 66 146A 0 -32,-2.8 -30,-2.7 -2,-0.4 2,-0.3 -0.939 14.6-168.7-138.9 166.3 2.1 68.0 26.3 98 98 A S E -de 67 147A 0 48,-1.4 50,-1.6 -2,-0.3 2,-0.4 -0.990 12.3-143.2-149.9 157.8 -0.5 70.6 27.0 99 99 A I E > - e 0 148A 0 -32,-1.7 3,-2.3 -2,-0.3 50,-0.2 -0.966 64.2 -37.0-124.3 142.1 -1.8 73.9 25.7 100 100 A C T > S+ 0 0 7 48,-1.6 3,-1.4 -2,-0.4 4,-0.1 -0.226 133.9 2.2 47.9-124.8 -3.1 76.8 27.8 101 101 A A T >> S+ 0 0 9 1,-0.3 3,-2.2 2,-0.2 4,-0.6 0.572 110.6 91.2 -73.1 -6.4 -5.1 75.6 30.9 102 102 A G H X> S+ 0 0 0 -3,-2.3 4,-1.4 1,-0.3 3,-0.7 0.789 74.9 68.6 -49.8 -30.0 -4.3 72.0 29.9 103 103 A S H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.731 84.6 69.6 -65.7 -19.6 -1.3 72.3 32.1 104 104 A F H <> S+ 0 0 15 -3,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.906 99.9 49.0 -60.8 -41.9 -3.7 72.4 35.1 105 105 A V H S+ 0 0 0 -4,-1.4 5,-1.5 1,-0.2 6,-0.5 0.904 114.1 49.0 -60.6 -41.9 -0.7 67.8 34.2 107 107 A H H ><5S+ 0 0 35 -4,-2.6 3,-1.8 1,-0.2 5,-0.3 0.952 111.3 48.0 -58.4 -51.8 -0.0 69.7 37.4 108 108 A E H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.765 103.7 61.6 -70.2 -22.5 -2.9 68.1 39.3 109 109 A L T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.566 114.1-118.5 -70.1 -11.1 -1.8 64.6 38.1 110 110 A G T X 5S+ 0 0 45 -3,-1.8 3,-1.1 -4,-0.3 -3,-0.2 0.536 77.6 127.9 85.9 6.4 1.5 65.2 40.0 111 111 A L T 3 S+ 0 0 6 -6,-0.5 3,-2.2 -5,-0.3 2,-0.3 -0.024 74.5 155.1-122.3 33.5 5.3 68.3 37.3 113 113 A K T < S+ 0 0 105 -3,-1.1 3,-0.1 1,-0.3 19,-0.1 -0.426 81.1 1.5 -65.4 121.7 6.1 68.2 41.1 114 114 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -2,-0.3 2,-0.2 0.654 116.8 108.5 74.3 14.6 9.1 70.4 41.8 115 115 A K < - 0 0 77 -3,-2.2 18,-0.6 27,-0.0 -1,-0.3 -0.664 69.2-105.3-119.6 170.4 9.2 71.3 38.1 116 116 A K E +i 133 0D 61 -2,-0.2 2,-0.3 -3,-0.1 18,-0.2 -0.642 38.4 164.0 -94.1 155.3 8.5 74.4 35.9 117 117 A L E -i 134 0D 1 16,-1.8 18,-2.7 -2,-0.2 2,-0.3 -0.949 20.7-142.0-156.8 175.4 5.5 74.9 33.7 118 118 A T + 0 0 4 -2,-0.3 2,-0.3 16,-0.2 30,-0.2 -0.846 15.1 172.3-134.1 169.7 3.5 77.6 31.8 119 119 A T - 0 0 4 16,-0.4 30,-0.2 -2,-0.3 -18,-0.1 -0.909 52.7 -52.9-159.3-178.5 -0.1 78.3 30.9 120 120 A N >> - 0 0 41 -2,-0.3 3,-1.9 29,-0.2 4,-0.7 -0.416 56.3-115.2 -65.5 143.1 -2.0 81.2 29.3 121 121 A P G >4 S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.855 114.6 54.5 -49.2 -39.5 -1.2 84.6 30.9 122 122 A D G 34 S+ 0 0 158 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.696 110.3 47.6 -70.9 -16.4 -4.8 85.1 32.2 123 123 A A G <> S+ 0 0 13 -3,-1.9 4,-2.3 1,-0.1 -1,-0.2 0.466 86.5 92.4 -97.2 -5.9 -4.6 81.7 34.0 124 124 A K H S+ 0 0 73 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.890 112.1 47.4 -61.7 -40.6 -2.4 83.5 39.0 126 126 A V H > S+ 0 0 88 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.944 111.8 48.8 -66.7 -45.5 -4.8 80.6 39.4 127 127 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.7 0.911 109.4 53.9 -62.7 -39.4 -2.2 78.0 38.5 128 128 A Q H ><5S+ 0 0 90 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.926 105.7 52.8 -55.3 -47.0 0.3 79.6 40.9 129 129 A G H 3<5S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.671 103.6 57.4 -64.4 -18.7 -2.3 79.4 43.7 130 130 A X T <<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.452 131.7 -95.4 -87.2 -3.2 -2.7 75.6 43.0 131 131 A G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 -4,-0.3 2,-0.2 0.474 74.3 150.3 101.1 8.4 1.1 75.4 43.6 132 132 A G < - 0 0 10 -5,-2.6 2,-1.3 -6,-0.2 -1,-0.3 -0.481 47.4-138.5 -74.3 137.7 2.4 75.7 40.0 133 133 A D E -i 116 0D 81 -18,-0.6 -16,-1.8 -2,-0.2 2,-0.4 -0.737 37.5-168.9 -92.4 84.4 5.8 77.2 39.5 134 134 A V E -i 117 0D 13 -2,-1.3 2,-0.3 -18,-0.2 -16,-0.2 -0.639 10.3-160.0 -89.4 129.8 4.6 79.2 36.5 135 135 A Q - 0 0 46 -18,-2.7 2,-1.6 -2,-0.4 -16,-0.4 -0.776 27.0-121.5-106.3 154.3 6.9 81.0 34.1 136 136 A D S S+ 0 0 143 -2,-0.3 -18,-0.1 -18,-0.1 -16,-0.0 -0.502 76.5 112.7 -88.4 62.3 6.2 83.8 31.7 137 137 A L S S- 0 0 84 -2,-1.6 -18,-0.2 -18,-0.1 12,-0.1 -0.964 70.9-129.8-138.1 148.6 7.4 81.8 28.7 138 138 A P S S+ 0 0 43 0, 0.0 11,-2.1 0, 0.0 2,-0.4 0.795 94.0 22.5 -73.5 -28.0 5.6 80.3 25.7 139 139 A L E -F 148 0A 6 9,-0.2 2,-0.5 55,-0.1 9,-0.2 -0.988 61.4-171.7-142.3 129.7 7.0 76.7 26.1 140 140 A V E -F 147 0A 5 7,-2.7 7,-2.4 -2,-0.4 2,-0.5 -0.981 10.9-161.8-127.7 116.1 8.5 75.0 29.2 141 141 A I E +F 146 0A 0 -2,-0.5 2,-0.4 57,-0.3 5,-0.2 -0.866 14.9 175.1-102.8 127.7 10.2 71.6 28.6 142 142 A E E > -F 145 0A 17 3,-3.2 3,-1.6 -2,-0.5 2,-0.5 -0.843 66.4 -67.5-131.0 89.3 10.8 69.2 31.5 143 143 A G T 3 S- 0 0 15 -2,-0.4 59,-0.1 1,-0.3 60,-0.0 -0.491 119.4 -9.7 68.1-112.6 12.2 66.0 30.0 144 144 A N T 3 S+ 0 0 55 -2,-0.5 -48,-2.8 -3,-0.1 2,-0.4 0.170 123.4 86.2-103.1 15.2 9.5 64.4 27.9 145 145 A I E < +eF 96 142A 8 -3,-1.6 -3,-3.2 -50,-0.2 2,-0.4 -0.942 53.5 178.5-112.8 135.7 6.8 66.8 29.2 146 146 A A E -eF 97 141A 0 -50,-2.5 -48,-1.4 -2,-0.4 2,-0.4 -0.989 10.5-163.3-138.5 132.9 6.2 70.2 27.6 147 147 A T E -eF 98 140A 2 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.4 -0.901 8.4-160.3-111.1 144.9 3.6 72.8 28.5 148 148 A A E -eF 99 139A 0 -50,-1.6 -48,-1.6 -2,-0.4 2,-0.4 -0.962 1.8-154.0-128.8 140.3 2.7 75.7 26.2 149 149 A G + 0 0 8 -11,-2.1 -29,-0.2 -2,-0.4 -30,-0.0 -0.968 60.1 24.6-123.8 132.3 1.0 79.0 27.0 150 150 A G S > S- 0 0 23 -2,-0.4 3,-2.1 2,-0.1 4,-0.3 0.359 89.6 -93.8 85.6 136.2 -1.1 81.2 24.7 151 151 A C G > S+ 0 0 30 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.857 121.6 53.9 -49.8 -50.0 -2.9 79.7 21.7 152 152 A L G > S+ 0 0 123 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.600 85.0 84.3 -67.7 -10.2 -0.3 80.3 19.1 153 153 A S G X> + 0 0 10 -3,-2.1 4,-2.2 1,-0.3 3,-0.8 0.609 66.5 88.5 -68.8 -9.0 2.4 78.5 21.2 154 154 A L H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.3 5,-0.4 0.813 77.0 64.0 -53.0 -29.0 0.9 75.4 19.6 155 155 A L H <> S+ 0 0 20 -3,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.895 107.3 41.6 -60.1 -39.6 3.5 76.2 16.9 156 156 A Y H <> S+ 0 0 26 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.858 114.0 50.9 -73.1 -39.5 6.2 75.5 19.5 157 157 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.936 115.4 40.7 -68.9 -48.8 4.5 72.5 21.1 158 158 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.889 113.7 54.8 -67.0 -36.9 4.0 70.7 17.8 159 159 A G H X S+ 0 0 4 -4,-1.4 4,-2.4 -5,-0.4 -2,-0.2 0.874 105.8 52.7 -61.4 -37.2 7.4 71.7 16.6 160 160 A W H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.930 108.1 50.7 -64.4 -44.6 8.9 70.2 19.8 161 161 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.933 112.0 47.8 -54.2 -48.9 7.1 66.9 19.0 162 162 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.875 113.5 47.4 -62.5 -40.6 8.5 67.0 15.5 163 163 A E H < S+ 0 0 63 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.908 115.1 45.2 -68.0 -43.0 12.0 67.7 16.8 164 164 A R H < S+ 0 0 76 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.898 126.3 29.2 -68.2 -39.7 11.9 65.0 19.4 165 165 A L H < S- 0 0 37 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.757 138.3 -4.3 -93.6 -30.8 10.4 62.3 17.1 166 166 A F S < S- 0 0 64 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.1 0.218 90.3 -87.8-129.7-111.1 11.8 63.3 13.7 167 167 A D > - 0 0 84 -5,-0.0 4,-2.0 1,-0.0 3,-0.2 -0.917 42.4 -75.3-161.2-176.0 13.8 66.4 12.7 168 168 A S H > S+ 0 0 45 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.786 121.4 61.1 -63.4 -33.3 13.8 70.0 11.6 169 169 A V H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 108.3 44.2 -60.6 -44.8 12.7 69.2 8.1 170 170 A K H > S+ 0 0 28 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.927 112.8 52.2 -62.6 -46.5 9.5 67.6 9.4 171 171 A R H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.946 111.5 45.7 -54.8 -52.5 9.0 70.5 11.8 172 172 A K H X S+ 0 0 85 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.875 108.2 57.0 -59.9 -42.3 9.3 73.1 9.0 173 173 A Q H < S+ 0 0 83 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.907 112.6 42.1 -53.5 -47.0 7.0 71.0 6.7 174 174 A I H >< S+ 0 0 4 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.957 116.5 44.5 -65.3 -55.0 4.3 71.2 9.3 175 175 A Q H >X S+ 0 0 4 -4,-2.5 3,-2.0 1,-0.2 4,-1.4 0.823 100.2 69.2 -68.4 -30.7 4.6 74.8 10.4 176 176 A N T 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.762 91.0 62.1 -64.0 -22.1 4.9 76.3 6.9 177 177 A Q T <4 S+ 0 0 108 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.629 112.5 35.0 -77.6 -11.6 1.3 75.4 6.2 178 178 A L T <4 S+ 0 0 61 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.632 96.0 97.3-111.7 -19.8 -0.0 77.8 8.9 179 179 A I S < S- 0 0 14 -4,-1.4 5,-0.1 1,-0.1 3,-0.1 -0.331 84.8 -82.1 -80.8 158.4 2.4 80.6 8.9 180 180 A P > - 0 0 54 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.237 50.5 -99.7 -56.9 135.4 1.9 84.0 7.1 181 181 A A T 3 S+ 0 0 99 1,-0.3 -5,-0.0 2,-0.1 -3,-0.0 -0.242 109.0 15.4 -50.9 135.1 2.6 84.2 3.4 182 182 A G T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.448 108.7 86.0 74.8 2.9 6.1 85.7 2.8 183 183 A Q <> + 0 0 81 -3,-2.1 4,-2.4 1,-0.1 5,-0.3 0.041 43.1 120.2-121.0 26.7 7.2 85.3 6.4 184 184 A X H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 80.5 45.6 -58.0 -45.7 8.6 81.7 6.4 185 185 A E H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.896 111.2 51.9 -68.5 -40.7 12.1 82.8 7.5 186 186 A I H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 115.0 42.7 -57.7 -47.1 10.8 85.1 10.3 187 187 A F H X S+ 0 0 41 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.864 111.0 54.9 -73.7 -34.7 8.7 82.3 11.7 188 188 A E H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.3 5,-0.4 0.938 110.1 47.1 -60.8 -46.0 11.5 79.7 11.3 189 189 A T H X S+ 0 0 68 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.961 115.9 45.9 -57.5 -48.8 13.8 82.0 13.3 190 190 A L H X S+ 0 0 75 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.913 117.6 40.7 -60.5 -50.0 11.1 82.5 15.9 191 191 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.931 115.9 48.1 -69.1 -48.3 10.1 78.8 16.2 192 192 A S H X S+ 0 0 36 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.941 116.5 44.0 -61.1 -45.1 13.6 77.3 16.1 193 193 A E H X S+ 0 0 118 -4,-2.2 4,-2.7 -5,-0.4 -1,-0.2 0.885 111.3 52.7 -68.2 -38.5 14.9 79.7 18.7 194 194 A T H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.943 114.4 42.6 -64.0 -46.3 11.9 79.4 21.0 195 195 A I H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.949 114.8 49.7 -63.9 -45.0 12.2 75.6 21.1 196 196 A Q H X S+ 0 0 69 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.894 109.9 51.5 -64.4 -37.8 16.0 75.6 21.4 197 197 A S H X S+ 0 0 79 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.891 109.7 49.8 -67.0 -36.6 15.8 78.1 24.3 198 198 A A H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -57,-0.3 0.895 111.3 48.5 -66.0 -41.9 13.3 75.9 26.1 199 199 A E H X S+ 0 0 37 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.889 109.6 54.1 -63.2 -39.2 15.5 72.8 25.6 200 200 A S H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.938 108.8 47.4 -62.4 -46.8 18.5 74.9 26.9 201 201 A A H X S+ 0 0 37 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 112.4 50.7 -60.4 -43.5 16.7 75.8 30.1 202 202 A Y H X S+ 0 0 47 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.941 108.8 49.6 -59.0 -47.6 15.6 72.2 30.6 203 203 A E H X S+ 0 0 105 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.866 109.7 53.1 -66.3 -33.3 19.2 70.9 30.2 204 204 A Y H X S+ 0 0 161 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.954 110.8 46.2 -60.0 -50.0 20.4 73.5 32.7 205 205 A R H X S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 113.0 49.9 -63.3 -38.8 17.8 72.3 35.2 206 206 A S H X S+ 0 0 26 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.919 109.3 52.0 -62.5 -42.3 18.7 68.6 34.5 207 207 A A H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 108.9 50.0 -62.3 -41.1 22.4 69.4 35.0 208 208 A C H X S+ 0 0 55 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.903 110.4 50.5 -63.3 -41.8 21.7 71.0 38.3 209 209 A E H X S+ 0 0 119 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.934 111.1 47.9 -62.1 -49.2 19.7 68.0 39.4 210 210 A S H X S+ 0 0 73 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.896 111.0 51.5 -56.3 -46.6 22.5 65.7 38.4 211 211 A D H < S+ 0 0 125 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.5 46.1 -56.0 -45.5 25.0 67.9 40.3 212 212 A A H < S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 111.2 52.3 -64.8 -39.1 22.7 67.7 43.4 213 213 A E H < 0 0 89 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.851 360.0 360.0 -66.2 -35.8 22.3 63.9 43.0 214 214 A S < 0 0 131 -4,-2.0 -3,-0.0 -5,-0.2 0, 0.0 -0.222 360.0 360.0 -68.3 360.0 26.1 63.3 42.9