==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-APR-12 4EIA . COMPND 2 MOLECULE: ACTIVATOR OF 2-HYDROXYISOCAPROYL-COA DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.H.KNAUER,H.DOBBEK . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 11.9 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 0 1 1 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 2 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 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 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 0 111 0, 0.0 19,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -40.7 -8.1 9.4 35.6 2 2 A Y E +A 19 0A 55 54,-0.3 56,-2.2 17,-0.3 57,-0.4 -0.942 360.0 167.3-133.3 114.3 -9.6 10.2 32.2 3 3 A T E -A 18 0A 0 15,-2.2 15,-2.7 -2,-0.4 2,-0.4 -0.837 21.6-137.9-124.1 163.2 -10.6 13.7 31.4 4 4 A M E -Ab 17 60A 3 55,-2.0 57,-1.7 -2,-0.3 2,-0.5 -0.951 7.4-162.7-126.0 142.3 -11.6 15.6 28.2 5 5 A G E -Ab 16 61A 0 11,-2.9 11,-2.4 -2,-0.4 2,-0.4 -0.982 7.6-171.6-125.8 125.8 -10.8 19.1 26.8 6 6 A L E -Ab 15 62A 3 55,-2.8 57,-2.4 -2,-0.5 2,-0.4 -0.960 7.3-174.4-118.6 134.2 -12.8 20.9 24.1 7 7 A D E -Ab 14 63A 8 7,-2.7 7,-2.4 -2,-0.4 2,-0.7 -0.990 8.8-168.0-125.0 119.4 -11.9 24.2 22.2 8 8 A I E +A 13 0A 6 55,-2.4 58,-2.0 -2,-0.4 5,-0.2 -0.767 8.3 177.3-120.2 90.3 -14.6 25.5 19.8 9 9 A G - 0 0 16 3,-1.4 25,-2.2 -2,-0.7 57,-0.1 0.249 43.5-107.6 -69.9-160.0 -13.5 28.3 17.5 10 10 A S S S+ 0 0 74 23,-0.2 23,-0.5 55,-0.1 -1,-0.1 0.502 119.2 28.1-104.9 -10.2 -15.7 29.8 14.8 11 11 A T S S+ 0 0 106 1,-0.3 2,-0.3 21,-0.2 22,-0.1 0.457 127.1 28.1-128.2 -14.4 -13.7 28.1 12.0 12 12 A A - 0 0 7 19,-0.2 -3,-1.4 20,-0.1 2,-0.4 -0.975 56.6-147.3-149.5 159.8 -12.4 25.0 13.8 13 13 A S E -AC 8 30A 1 17,-2.3 17,-3.0 -2,-0.3 2,-0.3 -0.995 19.5-178.8-131.2 138.0 -13.0 22.5 16.6 14 14 A K E +AC 7 29A 32 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.3 -0.989 1.6 179.5-138.6 144.9 -10.3 20.7 18.7 15 15 A G E -AC 6 28A 0 13,-2.0 13,-1.9 -2,-0.3 2,-0.4 -0.991 8.5-165.4-148.6 155.2 -10.3 18.2 21.5 16 16 A V E -AC 5 27A 0 -11,-2.4 -11,-2.9 -2,-0.3 2,-0.4 -0.995 10.1-152.7-138.7 140.8 -8.0 16.2 23.7 17 17 A I E -AC 4 26A 0 9,-2.2 8,-2.7 -2,-0.4 9,-1.2 -0.979 20.3-167.7-112.5 134.6 -8.4 13.2 26.0 18 18 A L E > -AC 3 24A 0 -15,-2.7 -15,-2.2 -2,-0.4 3,-0.6 -0.946 12.7-149.9-135.5 112.4 -6.0 13.1 28.9 19 19 A K E >> S-AC 2 23A 69 4,-2.6 3,-2.8 -2,-0.5 4,-2.4 -0.634 82.0 -17.8 -79.3 132.0 -5.2 10.2 31.2 20 20 A N T 34 S- 0 0 74 -19,-2.7 -1,-0.2 -2,-0.4 -18,-0.1 0.743 111.0 -77.1 44.9 32.8 -4.2 11.2 34.8 21 21 A G T <4 S+ 0 0 15 -3,-0.6 -1,-0.3 2,-0.2 3,-0.1 0.657 129.9 74.0 57.4 16.1 -3.4 14.7 33.7 22 22 A E T <4 S+ 0 0 135 -3,-2.8 2,-0.6 1,-0.2 -2,-0.2 0.662 81.0 59.1-127.5 -33.8 -0.2 13.4 32.2 23 23 A D E < -C 19 0A 89 -4,-2.4 -4,-2.6 3,-0.0 2,-0.8 -0.895 61.2-147.6-118.0 109.7 -0.9 11.4 29.0 24 24 A I E +C 18 0A 79 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.610 22.3 178.8 -63.2 111.2 -2.5 12.8 25.9 25 25 A V E - 0 0 53 -8,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.732 62.9 -1.9 -92.4 -22.0 -4.2 9.6 24.8 26 26 A A E -C 17 0A 7 -9,-1.2 -9,-2.2 -3,-0.1 -1,-0.3 -0.969 59.2-174.8-163.7 149.3 -5.9 11.1 21.8 27 27 A S E +C 16 0A 36 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.995 5.0 178.8-146.2 152.9 -6.3 14.4 19.9 28 28 A E E -C 15 0A 38 -13,-1.9 -13,-2.0 -2,-0.3 2,-0.4 -0.997 9.7-164.5-153.6 152.8 -8.2 15.7 16.9 29 29 A T E -C 14 0A 49 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.997 5.7-169.6-139.8 134.1 -8.8 18.9 14.9 30 30 A I E -C 13 0A 10 -17,-3.0 -17,-2.3 -2,-0.4 2,-1.8 -0.986 27.3-132.2-129.1 133.2 -11.6 19.7 12.4 31 31 A S S S+ 0 0 108 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.048 82.8 87.0 -71.2 37.6 -11.8 22.7 10.0 32 32 A S - 0 0 33 -2,-1.8 -21,-0.2 -19,-0.1 -2,-0.2 -0.997 59.7-168.1-138.6 140.7 -15.5 23.4 11.1 33 33 A G > - 0 0 4 -23,-0.5 3,-1.4 -2,-0.3 5,-0.3 -0.284 37.7 -13.4-116.6-169.0 -16.6 25.5 14.0 34 34 A T T 3 S+ 0 0 41 -25,-2.2 -1,-0.2 -22,-0.3 3,-0.1 0.058 123.1 21.3 -23.7 117.6 -19.5 26.7 16.3 35 35 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 31,-0.1 2,-0.2 0.545 109.2 88.6 90.3 8.4 -22.9 25.7 14.9 36 36 A T S < S- 0 0 71 -3,-1.4 4,-0.4 -4,-0.0 -1,-0.4 -0.683 93.4 -94.0-122.2-178.5 -21.7 22.9 12.6 37 37 A T S >> S+ 0 0 87 -2,-0.2 4,-2.6 1,-0.2 3,-0.9 0.716 97.9 99.3 -63.6 -24.2 -21.0 19.1 12.8 38 38 A G H 3> S+ 0 0 0 -5,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.801 81.6 44.1 -33.5 -56.6 -17.3 20.0 13.5 39 39 A P H 3> S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.875 113.1 51.6 -68.6 -34.9 -17.6 19.5 17.3 40 40 A S H <> S+ 0 0 65 -3,-0.9 4,-2.3 -4,-0.4 -2,-0.2 0.943 108.9 52.0 -58.2 -49.4 -19.6 16.2 16.9 41 41 A R H X S+ 0 0 108 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.769 105.4 55.2 -61.4 -26.7 -16.9 15.0 14.5 42 42 A V H X S+ 0 0 1 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.958 108.2 48.7 -68.4 -47.6 -14.2 15.7 17.1 43 43 A L H X S+ 0 0 36 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.901 108.8 52.1 -57.2 -46.8 -16.0 13.6 19.7 44 44 A E H X S+ 0 0 145 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.966 110.4 48.9 -53.4 -53.8 -16.4 10.6 17.3 45 45 A K H X S+ 0 0 109 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.817 115.3 44.8 -56.9 -33.0 -12.7 10.7 16.5 46 46 A L H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 6,-0.3 0.890 117.3 41.8 -80.9 -39.5 -11.9 10.8 20.1 47 47 A Y H X S+ 0 0 48 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.830 115.8 51.9 -78.5 -29.9 -14.3 8.2 21.3 48 48 A G H < S+ 0 0 62 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.858 110.0 43.3 -76.4 -40.9 -13.5 5.9 18.4 49 49 A K H < S+ 0 0 120 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.751 121.5 43.3 -80.2 -17.9 -9.7 5.8 18.6 50 50 A T H < S- 0 0 43 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.857 90.4-144.0 -87.7 -37.1 -9.9 5.4 22.3 51 51 A G < + 0 0 69 -4,-2.2 -3,-0.1 1,-0.3 -4,-0.1 0.445 51.6 142.5 80.6 1.2 -12.8 2.8 22.6 52 52 A L - 0 0 33 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.3 -0.234 45.2-129.7 -70.0 162.9 -13.9 4.6 25.8 53 53 A A >> - 0 0 52 -3,-0.1 3,-3.5 1,-0.1 4,-0.7 -0.830 27.5-107.3-116.0 152.8 -17.5 5.2 27.0 54 54 A R G >4 S+ 0 0 90 1,-0.3 3,-0.6 -2,-0.3 -1,-0.1 0.799 119.5 61.9 -52.2 -30.3 -19.1 8.5 28.2 55 55 A E G 34 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.735 96.1 61.4 -65.5 -21.9 -19.0 7.1 31.7 56 56 A D G <4 S+ 0 0 73 -3,-3.5 2,-0.7 1,-0.0 -54,-0.3 0.770 85.8 79.7 -78.9 -30.2 -15.2 6.9 31.5 57 57 A I << - 0 0 3 -4,-0.7 -54,-0.2 -3,-0.6 3,-0.1 -0.741 63.3-170.3 -79.6 110.6 -14.8 10.7 31.0 58 58 A K + 0 0 100 -56,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.866 66.1 6.1 -75.8 -38.9 -15.1 12.2 34.5 59 59 A K - 0 0 43 -57,-0.4 -55,-2.0 190,-0.1 2,-0.4 -0.995 59.9-157.3-145.7 143.8 -15.2 15.8 33.6 60 60 A V E -b 4 0A 0 -2,-0.3 15,-1.1 -57,-0.2 14,-1.0 -0.981 8.9-170.5-118.1 138.4 -15.4 17.8 30.4 61 61 A V E -bd 5 75A 1 -57,-1.7 -55,-2.8 -2,-0.4 2,-0.4 -0.993 5.0-164.3-124.2 139.7 -14.3 21.4 30.1 62 62 A V E +bd 6 76A 0 13,-2.3 15,-1.7 -2,-0.4 2,-0.2 -0.948 11.5 169.0-124.8 146.0 -14.9 23.6 27.0 63 63 A T E +b 7 0A 0 -57,-2.4 -55,-2.4 -2,-0.4 3,-0.2 -0.800 25.9 83.5-141.4 176.9 -13.4 26.9 26.0 64 64 A G S > S- 0 0 0 13,-0.4 3,-2.3 -57,-0.2 4,-0.2 -0.268 88.5 -57.8 108.1 162.8 -13.3 29.0 22.8 65 65 A Y T 3 S+ 0 0 175 1,-0.3 3,-0.4 2,-0.1 -56,-0.2 0.882 136.1 40.4 -43.0 -48.1 -15.5 31.7 21.1 66 66 A G T > S+ 0 0 2 -58,-2.0 3,-1.9 1,-0.2 -1,-0.3 0.181 77.1 116.3 -93.0 18.5 -18.5 29.3 21.0 67 67 A R G X S+ 0 0 52 -3,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.685 71.6 60.5 -60.3 -18.0 -18.0 27.7 24.4 68 68 A M G 3 S+ 0 0 124 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.635 96.2 62.8 -86.6 -11.4 -21.4 29.2 25.6 69 69 A N G < S+ 0 0 127 -3,-1.9 2,-0.5 1,-0.0 -1,-0.2 0.509 87.7 83.5 -84.2 -7.4 -23.2 27.2 22.8 70 70 A Y < + 0 0 39 -3,-0.7 -8,-0.1 -4,-0.3 3,-0.1 -0.888 48.5 176.0-117.7 124.8 -22.2 23.8 24.2 71 71 A S + 0 0 107 -2,-0.5 2,-2.7 1,-0.2 -1,-0.2 0.941 60.6 76.3 -95.5 -58.7 -24.2 22.1 26.9 72 72 A D S S+ 0 0 84 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.345 79.2 106.6 -60.1 77.2 -23.0 18.6 27.7 73 73 A A - 0 0 23 -2,-2.7 -12,-0.1 1,-0.1 3,-0.1 -0.952 68.3-141.4-162.6 134.7 -20.1 20.0 29.6 74 74 A D S S+ 0 0 82 -14,-1.0 2,-0.3 -2,-0.3 -13,-0.2 0.794 84.6 1.8 -71.3 -27.2 -19.2 20.2 33.3 75 75 A K E -d 61 0A 95 -15,-1.1 -13,-2.3 2,-0.0 2,-0.5 -0.998 52.6-140.5-158.9 155.3 -17.6 23.7 32.9 76 76 A Q E +d 62 0A 79 -2,-0.3 2,-0.3 -15,-0.2 -13,-0.2 -0.995 28.0 178.7-121.0 126.5 -16.7 26.6 30.6 77 77 A I - 0 0 27 -15,-1.7 -13,-0.4 -2,-0.5 -10,-0.1 -0.883 33.5 -91.9-126.7 155.6 -13.4 28.3 31.1 78 78 A S > - 0 0 55 -2,-0.3 4,-2.5 -15,-0.1 5,-0.2 -0.223 22.3-130.9 -69.8 157.7 -11.7 31.2 29.2 79 79 A E H > S+ 0 0 95 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.845 109.1 55.6 -73.8 -34.9 -9.4 30.6 26.3 80 80 A L H > S+ 0 0 48 2,-0.2 4,-1.5 3,-0.2 5,-0.2 0.942 113.2 40.3 -60.3 -49.9 -6.8 32.9 27.8 81 81 A S H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 35,-0.2 0.983 121.1 43.8 -60.7 -57.8 -6.8 30.8 31.0 82 82 A C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.907 110.3 53.1 -53.8 -53.8 -6.9 27.5 29.1 83 83 A H H X S+ 0 0 54 -4,-3.3 4,-2.2 1,-0.2 3,-0.4 0.927 111.1 46.6 -53.4 -48.9 -4.5 28.3 26.3 84 84 A A H X S+ 0 0 2 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.897 106.0 59.6 -58.9 -43.8 -1.7 29.3 28.9 85 85 A R H X S+ 0 0 13 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.854 107.7 46.5 -56.9 -37.2 -2.4 26.2 30.9 86 86 A G H X S+ 0 0 0 -4,-1.8 4,-1.5 -3,-0.4 3,-0.4 0.910 104.4 60.0 -70.3 -44.5 -1.5 24.1 27.9 87 87 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 3,-0.2 0.869 104.4 50.7 -52.1 -39.9 1.6 26.1 27.1 88 88 A N H < S+ 0 0 21 -4,-1.9 -1,-0.3 26,-0.2 -2,-0.2 0.852 102.8 60.2 -67.4 -32.7 3.0 25.2 30.5 89 89 A F H < S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.831 111.0 42.2 -60.3 -32.1 2.2 21.6 29.7 90 90 A I H < S+ 0 0 56 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.875 128.7 27.1 -81.2 -43.5 4.6 22.0 26.8 91 91 A I S >< S- 0 0 24 -4,-2.6 3,-0.8 -5,-0.2 -1,-0.2 -0.785 88.7-147.0-122.2 89.6 7.2 24.0 28.7 92 92 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.085 78.4 30.7 -54.5 151.3 7.1 23.0 32.4 93 93 A E T 3 S+ 0 0 143 1,-0.3 2,-0.3 19,-0.2 20,-0.1 0.645 80.3 157.8 73.2 16.3 7.9 25.6 35.1 94 94 A T < + 0 0 0 -3,-0.8 -1,-0.3 -6,-0.2 116,-0.2 -0.563 9.5 159.5 -69.6 134.5 6.6 28.4 32.8 95 95 A R + 0 0 72 114,-2.2 15,-2.0 112,-0.4 2,-0.3 0.365 60.0 45.9-135.3 -4.3 5.7 31.4 34.9 96 96 A T E -Ef 109 210B 1 113,-1.3 115,-2.2 13,-0.2 2,-0.4 -0.911 59.8-172.7-152.0 115.3 5.7 34.3 32.4 97 97 A I E -Ef 108 211B 7 11,-2.4 11,-2.4 -2,-0.3 2,-0.5 -0.895 8.5-156.4-114.3 140.0 4.2 34.4 29.0 98 98 A I E -Ef 107 212B 0 113,-1.8 115,-2.2 -2,-0.4 2,-0.9 -0.877 9.7-177.4-123.0 104.8 4.6 37.2 26.4 99 99 A D E -Ef 106 213B 36 7,-2.8 7,-2.1 -2,-0.5 2,-0.9 -0.779 3.6-176.4-106.3 93.9 2.0 37.6 23.7 100 100 A I E -E 105 0B 0 113,-1.2 116,-0.9 -2,-0.9 5,-0.2 -0.797 21.3-172.6 -85.8 109.1 2.8 40.4 21.2 101 101 A G - 0 0 11 3,-2.9 29,-1.5 -2,-0.9 30,-0.1 -0.167 38.9 -96.5 -92.3-173.3 -0.3 40.4 19.0 102 102 A G S S+ 0 0 41 28,-0.2 29,-1.9 27,-0.2 32,-0.2 0.825 121.8 8.3 -72.2 -33.3 -1.1 42.2 15.8 103 103 A Q S S+ 0 0 100 27,-0.2 2,-0.3 26,-0.1 -1,-0.1 0.210 132.2 32.6-132.1 10.5 -3.0 44.9 17.7 104 104 A D - 0 0 42 20,-0.1 -3,-2.9 22,-0.1 26,-0.4 -0.953 57.7-144.4-157.0 169.0 -2.2 44.2 21.3 105 105 A A E -EG 100 122B 1 17,-1.6 17,-2.3 -2,-0.3 2,-0.4 -0.975 16.0-175.8-145.6 134.8 0.4 42.9 23.8 106 106 A K E -EG 99 121B 31 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.5 -0.988 13.6-159.2-133.0 139.6 -0.1 40.9 27.0 107 107 A V E -EG 98 120B 0 13,-2.2 13,-2.0 -2,-0.4 2,-0.4 -0.974 16.7-162.0-112.4 128.5 2.2 39.6 29.7 108 108 A L E -EG 97 119B 6 -11,-2.4 -11,-2.4 -2,-0.5 2,-0.4 -0.929 8.5-155.1-114.1 132.3 0.9 36.7 31.9 109 109 A K E -EG 96 118B 52 9,-2.3 8,-2.8 -2,-0.4 9,-1.0 -0.857 23.3-157.0 -98.2 137.6 2.1 35.5 35.3 110 110 A L E - G 0 116B 2 -15,-2.0 6,-0.2 -2,-0.4 9,-0.0 -0.806 14.5-104.7-122.2 158.9 1.5 31.8 36.2 111 111 A D > - 0 0 26 4,-2.8 3,-1.2 -2,-0.3 -1,-0.1 -0.138 41.0-104.8 -59.8 158.2 1.1 29.4 39.1 112 112 A N T 3 S+ 0 0 107 1,-0.2 -19,-0.2 2,-0.1 -1,-0.1 0.676 130.3 49.5 -55.7 -13.7 3.7 26.8 40.1 113 113 A N T 3 S- 0 0 76 2,-0.2 -1,-0.2 -21,-0.1 3,-0.1 0.490 126.6-100.6-106.6 -9.0 1.1 24.6 38.3 114 114 A G S < S+ 0 0 0 -3,-1.2 2,-0.5 1,-0.3 -26,-0.2 0.738 75.9 139.8 95.7 25.6 0.7 26.7 35.2 115 115 A R - 0 0 81 -27,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.904 60.6-102.4-107.2 130.4 -2.5 28.4 36.2 116 116 A L E +G 110 0B 42 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.216 39.7 173.6 -52.9 129.3 -3.0 32.0 35.3 117 117 A L E - 0 0 100 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.800 60.2 -33.9-102.0 -50.4 -2.5 34.4 38.3 118 118 A N E -G 109 0B 70 -9,-1.0 -9,-2.3 2,-0.0 -1,-0.4 -0.965 59.3-169.6-166.2 165.8 -2.7 37.9 36.9 119 119 A F E -G 108 0B 78 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.992 17.8-129.8-163.0 165.5 -1.8 39.8 33.7 120 120 A L E -G 107 0B 43 -13,-2.0 -13,-2.2 -2,-0.3 2,-0.4 -0.990 20.8-168.6-128.5 134.4 -1.4 43.1 31.9 121 121 A M E -G 106 0B 78 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.942 12.0-161.5-123.2 137.4 -2.8 44.0 28.5 122 122 A N E +G 105 0B 30 -17,-2.3 -17,-1.6 -2,-0.4 -2,-0.0 -0.979 32.1 142.3-113.8 119.4 -2.2 46.9 26.1 123 123 A D + 0 0 87 -2,-0.5 -1,-0.1 -19,-0.2 -17,-0.0 0.440 64.4 61.9-126.9 -9.5 -5.0 47.3 23.6 124 124 A K S S+ 0 0 183 1,-0.0 2,-0.4 2,-0.0 -20,-0.1 0.723 92.2 64.2 -96.2 -26.9 -5.2 51.1 23.3 125 125 A C - 0 0 44 2,-0.1 -3,-0.0 1,-0.1 39,-0.0 -0.833 61.3-153.8-106.7 137.4 -1.7 52.1 22.1 126 126 A A S > S+ 0 0 42 -2,-0.4 3,-0.8 5,-0.1 6,-0.8 0.722 74.2 88.6 -79.3 -22.2 -0.3 51.1 18.6 127 127 A A T 3 S+ 0 0 0 1,-0.2 -2,-0.1 4,-0.1 3,-0.1 -0.451 87.3 27.9 -76.6 151.5 3.3 51.2 19.9 128 128 A G T 3 S+ 0 0 3 1,-0.3 2,-0.2 -2,-0.1 -1,-0.2 0.784 111.3 88.6 66.3 26.9 4.8 48.1 21.4 129 129 A T S <> S- 0 0 1 -3,-0.8 4,-0.6 -29,-0.1 3,-0.4 -0.825 94.2 -84.5-138.5-177.8 2.4 46.0 19.3 130 130 A G H >> S+ 0 0 5 -29,-1.5 3,-2.8 -26,-0.4 4,-1.0 0.948 118.9 57.3 -52.5 -55.6 2.1 44.2 15.9 131 131 A R H 3> S+ 0 0 130 -29,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.797 93.0 68.0 -57.2 -31.0 0.9 47.2 14.0 132 132 A F H 3> S+ 0 0 4 -6,-0.8 4,-1.5 -3,-0.4 -1,-0.3 0.859 104.0 47.5 -50.5 -34.9 3.9 49.2 14.9 133 133 A L H S+ 0 0 5 -4,-1.4 5,-1.7 1,-0.2 -1,-0.2 0.950 104.6 51.0 -66.9 -49.5 7.8 47.9 7.1 138 138 A K H ><5S+ 0 0 169 -4,-2.4 3,-1.2 -3,-0.3 -1,-0.2 0.875 106.6 57.3 -54.2 -39.7 5.6 49.7 4.5 139 139 A I H 3<5S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.902 112.5 37.3 -62.2 -46.2 7.8 52.8 4.8 140 140 A I T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.186 115.0-118.8 -90.8 16.1 11.0 51.0 3.8 141 141 A E T < 5 + 0 0 175 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.918 67.4 128.8 46.9 62.9 9.1 48.9 1.4 142 142 A V < - 0 0 50 -5,-1.7 2,-0.3 -6,-0.0 -1,-0.2 -0.976 61.6-103.6-141.1 154.7 9.7 45.5 2.8 143 143 A D > - 0 0 84 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 -0.593 28.3-128.5 -78.3 139.0 7.6 42.4 3.9 144 144 A V G > S+ 0 0 60 -2,-0.3 3,-1.0 1,-0.2 4,-0.4 0.820 106.3 50.6 -56.6 -39.9 7.1 42.0 7.7 145 145 A S G 3 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.758 102.4 61.4 -73.9 -22.5 8.3 38.3 7.8 146 146 A E G <> S+ 0 0 105 -3,-0.7 4,-1.1 1,-0.2 3,-0.3 0.590 90.1 83.0 -73.1 -8.0 11.5 39.2 5.9 147 147 A L H <> S+ 0 0 7 -3,-1.0 4,-1.5 -4,-0.3 3,-0.3 0.906 75.0 57.6 -69.1 -53.5 12.2 41.5 8.9 148 148 A G H 4 S+ 0 0 4 -4,-0.4 -1,-0.2 -3,-0.3 4,-0.1 0.765 108.6 48.4 -53.7 -31.1 13.8 39.3 11.6 149 149 A S H >> S+ 0 0 75 -3,-0.3 3,-1.8 -4,-0.3 4,-0.5 0.874 102.1 59.3 -82.1 -40.6 16.6 38.1 9.3 150 150 A I H >< S+ 0 0 51 -4,-1.1 3,-0.8 -3,-0.3 -2,-0.2 0.917 101.6 58.7 -47.5 -45.7 17.7 41.5 7.9 151 151 A S G >< S+ 0 0 8 -4,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.553 84.7 82.1 -66.4 -11.7 18.4 42.6 11.5 152 152 A M G <4 S+ 0 0 106 -3,-1.8 2,-1.2 1,-0.3 -1,-0.2 0.953 88.9 50.3 -58.5 -53.3 20.9 39.7 12.0 153 153 A N G << S+ 0 0 111 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.3 -0.224 76.6 152.9 -88.2 47.5 23.8 41.6 10.4 154 154 A S < + 0 0 36 -2,-1.2 30,-0.1 -3,-0.8 3,-0.1 -0.588 16.7 174.2 -75.0 137.0 23.5 44.8 12.4 155 155 A Q S S+ 0 0 112 -2,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.764 71.4 4.9-111.3 -51.2 26.8 46.7 12.8 156 156 A N S S- 0 0 116 25,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.362 82.5-122.3-107.2-158.6 25.7 49.9 14.4 157 157 A E - 0 0 88 -2,-0.2 2,-0.6 -3,-0.1 28,-0.2 -0.820 8.5-129.9-156.8 112.3 22.2 50.6 15.6 158 158 A V - 0 0 17 26,-1.2 2,-0.4 -2,-0.3 17,-0.0 -0.455 30.5-147.1 -56.0 105.7 19.9 53.4 14.7 159 159 A S - 0 0 90 -2,-0.6 2,-0.3 32,-0.0 29,-0.1 -0.689 11.5-154.5 -84.0 132.6 18.7 54.8 18.1 160 160 A I - 0 0 15 -2,-0.4 8,-0.0 28,-0.3 12,-0.0 -0.737 20.1-176.0-104.7 150.6 15.2 56.1 18.2 161 161 A S + 0 0 102 -2,-0.3 -1,-0.1 7,-0.0 7,-0.1 0.748 59.9 91.0-108.4 -48.5 13.7 58.7 20.5 162 162 A S + 0 0 31 1,-0.2 -2,-0.1 5,-0.1 3,-0.0 -0.182 44.7 180.0 -46.1 134.9 10.0 58.7 19.5 163 163 A T + 0 0 100 -36,-0.0 -1,-0.2 33,-0.0 2,-0.1 0.628 60.2 84.3-106.9 -29.0 7.9 56.3 21.5 164 164 A C S > S- 0 0 46 1,-0.1 4,-2.1 -37,-0.1 5,-0.1 -0.449 81.4-129.2 -72.1 148.1 4.6 57.1 19.7 165 165 A T H > S+ 0 0 16 2,-0.2 4,-2.2 3,-0.2 -1,-0.1 0.927 103.4 47.0 -67.8 -47.1 4.0 55.3 16.4 166 166 A V H >> S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 3,-0.6 0.983 112.8 47.4 -60.8 -60.8 3.1 58.3 14.3 167 167 A F H >> S+ 0 0 143 1,-0.3 3,-1.9 2,-0.2 4,-1.7 0.926 113.1 50.2 -43.2 -55.5 6.0 60.4 15.5 168 168 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 5,-0.3 0.850 97.3 68.4 -53.0 -39.2 8.4 57.5 14.9 169 169 A E H << S+ 0 0 73 -4,-2.2 4,-0.4 -3,-0.6 -1,-0.3 0.712 106.6 41.3 -58.8 -21.1 7.0 56.9 11.4 170 170 A S H XX S+ 0 0 82 -3,-1.9 4,-1.7 -4,-0.8 3,-1.0 0.878 107.0 62.0 -82.8 -48.8 8.6 60.2 10.5 171 171 A E H 3X S+ 0 0 35 -4,-1.7 4,-0.9 1,-0.3 -2,-0.2 0.698 104.3 48.1 -55.1 -26.5 11.8 59.5 12.4 172 172 A V H 3X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.778 107.1 55.3 -85.6 -29.0 12.6 56.5 10.3 173 173 A I H <> S+ 0 0 85 -3,-1.0 4,-2.5 -4,-0.4 -2,-0.2 0.806 107.2 52.4 -67.9 -29.2 12.0 58.4 7.0 174 174 A S H X S+ 0 0 67 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.827 113.0 42.1 -74.8 -33.5 14.6 60.9 8.4 175 175 A H H X>S+ 0 0 49 -4,-0.9 5,-1.3 -5,-0.2 4,-0.9 0.772 115.2 52.5 -78.3 -29.8 17.1 58.1 8.9 176 176 A L H <5S+ 0 0 70 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.915 103.8 55.8 -68.8 -47.4 16.1 56.6 5.6 177 177 A S H <5S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 107.1 49.0 -52.9 -44.6 16.6 59.9 3.8 178 178 A E H <5S- 0 0 134 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.811 115.4-126.3 -65.5 -29.5 20.2 60.0 5.0 179 179 A N T <5 + 0 0 133 -4,-0.9 -3,-0.2 -3,-0.3 -2,-0.1 0.964 39.5 177.3 80.8 61.7 20.5 56.4 3.8 180 180 A A < - 0 0 26 -5,-1.3 2,-0.3 1,-0.1 -1,-0.1 -0.411 43.6 -78.1 -85.9 168.5 21.7 54.4 6.8 181 181 A K >> - 0 0 131 1,-0.1 3,-2.0 -2,-0.1 4,-1.5 -0.540 35.8-136.6 -72.5 128.0 22.2 50.6 6.7 182 182 A I H 3> S+ 0 0 71 -2,-0.3 4,-3.5 1,-0.3 5,-0.4 0.816 102.7 61.8 -57.4 -34.2 18.8 48.8 7.0 183 183 A E H 3> S+ 0 0 41 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.725 105.8 48.7 -65.9 -21.9 20.2 46.3 9.5 184 184 A D H <> S+ 0 0 11 -3,-2.0 -26,-1.2 2,-0.1 4,-0.6 0.842 115.0 43.6 -78.3 -40.0 20.9 49.3 11.8 185 185 A I H >X S+ 0 0 8 -4,-1.5 4,-1.5 2,-0.2 3,-1.1 0.933 112.9 49.0 -72.6 -48.7 17.4 50.7 11.4 186 186 A V H 3X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.3 -1,-0.2 0.862 108.3 57.5 -60.4 -32.8 15.5 47.4 11.7 187 187 A A H 3X S+ 0 0 12 -4,-0.5 4,-0.9 -5,-0.4 -1,-0.3 0.750 108.0 46.5 -66.2 -24.3 17.7 46.8 14.9 188 188 A G H X S+ 0 0 84 -4,-2.2 3,-2.2 1,-0.2 4,-0.9 0.993 113.4 38.2 -59.9 -73.0 7.6 49.1 25.2 197 197 A V H 3X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.3 5,-0.2 0.772 106.6 70.2 -47.4 -32.0 6.6 45.5 26.2 198 198 A S H 3X S+ 0 0 2 -4,-2.0 4,-3.1 -5,-0.4 -1,-0.3 0.869 94.3 55.6 -55.1 -37.2 9.5 45.5 28.6 199 199 A S H S- 0 0 26 -2,-0.3 3,-0.7 -115,-0.2 -113,-0.1 -0.295 85.7 -75.8 109.6 166.5 2.3 35.1 19.0 215 215 A G G > S+ 0 0 39 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.883 128.9 60.0 -64.2 -38.0 2.9 35.6 15.3 216 216 A V G > S+ 0 0 21 -116,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.725 88.7 74.9 -61.1 -21.5 5.3 38.4 16.2 217 217 A A G < S+ 0 0 5 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.436 81.2 68.3 -77.4 2.7 7.4 35.9 18.2 218 218 A R G < S+ 0 0 189 -3,-1.6 2,-1.7 1,-0.1 -1,-0.3 0.669 71.2 98.8 -94.5 -16.9 8.8 34.4 15.0 219 219 A N X> - 0 0 20 -3,-1.3 4,-1.5 -4,-0.3 3,-1.1 -0.551 64.1-162.2 -66.9 88.7 10.7 37.5 14.3 220 220 A S H 3> S+ 0 0 44 -2,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.805 85.7 57.8 -43.9 -38.7 14.0 36.2 15.7 221 221 A G H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.879 103.0 51.4 -65.3 -40.0 15.3 39.8 16.0 222 222 A I H <> S+ 0 0 0 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.856 107.4 54.9 -62.5 -35.3 12.4 40.9 18.3 223 223 A V H X S+ 0 0 19 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.912 108.8 46.3 -67.3 -42.3 13.1 38.0 20.5 224 224 A R H X S+ 0 0 114 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.957 113.0 48.9 -61.2 -56.1 16.8 39.0 21.0 225 225 A A H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.893 112.2 49.7 -47.5 -47.7 16.0 42.6 21.7 226 226 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.927 112.7 47.7 -61.8 -45.6 13.3 41.5 24.1 227 227 A A H X>S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 5,-1.1 0.942 111.3 48.3 -57.7 -55.2 15.9 39.2 25.8 228 228 A R H <5S+ 0 0 122 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.1 49.3 -52.3 -40.6 18.6 41.8 26.0 229 229 A E H <5S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.858 117.6 34.0 -73.7 -45.4 16.0 44.2 27.5 230 230 A I H <5S- 0 0 19 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.597 105.3-130.3 -84.3 -15.2 14.4 42.1 30.2 231 231 A N T <5 + 0 0 138 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.826 67.0 109.4 72.6 37.1 17.8 40.5 30.8 232 232 A T S - 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