==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-09 3KDA . COMPND 2 MOLECULE: CFTR INHIBITORY FACTOR (CIF); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA UCBPP-PA14; . AUTHOR C.D.BAHL,D.R.MADDEN . 1192 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 6.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 41 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 197 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 353 29.6 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+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 9 3 12 2 0 2 0 11 8 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 2 4 0 0 4 0 1 3 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 . 4 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 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 25 A A 0 0 134 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.0 -16.1 -11.0 8.1 2 26 A E - 0 0 82 1,-0.1 4,-0.0 4,-0.0 10,-0.0 -0.982 360.0-159.1-131.5 123.0 -15.0 -9.2 11.3 3 27 A E S S+ 0 0 24 -2,-0.4 -1,-0.1 1,-0.1 198,-0.1 0.813 86.6 25.2 -65.9 -28.5 -15.1 -5.5 11.8 4 28 A F S S- 0 0 2 194,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.982 95.8 -94.4-138.4 147.6 -12.5 -5.7 14.6 5 29 A P - 0 0 28 0, 0.0 967,-0.1 0, 0.0 -2,-0.0 -0.404 36.0-131.7 -68.3 128.4 -9.8 -8.2 15.4 6 30 A V - 0 0 41 -2,-0.2 3,-0.1 1,-0.1 4,-0.1 -0.627 27.3-113.0 -78.2 129.5 -10.8 -11.0 17.8 7 31 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.286 44.5 -85.4 -60.6 147.6 -8.3 -11.5 20.6 8 32 A N T 3 S+ 0 0 149 1,-0.3 3,-0.1 3,-0.0 970,-0.0 -0.260 117.4 25.2 -53.2 137.2 -6.4 -14.8 20.5 9 33 A G T 3 S+ 0 0 61 1,-0.3 19,-0.5 -3,-0.1 2,-0.3 0.514 102.5 107.5 84.0 3.9 -8.4 -17.5 22.3 10 34 A F < - 0 0 26 -3,-1.8 2,-0.4 17,-0.1 -1,-0.3 -0.807 57.9-142.4-111.7 159.2 -11.7 -15.8 21.7 11 35 A E E -A 26 0A 113 15,-2.8 15,-2.6 -2,-0.3 2,-0.5 -0.953 4.6-145.5-119.9 136.8 -14.5 -16.7 19.3 12 36 A S E +A 25 0A 27 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.913 40.7 149.9 -96.6 126.7 -16.7 -14.3 17.3 13 37 A A E -A 24 0A 13 11,-2.7 11,-2.5 -2,-0.5 2,-0.3 -0.864 36.0-128.2-148.6 176.5 -20.2 -15.8 17.0 14 38 A Y E -A 23 0A 95 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.974 12.3-168.9-133.5 147.3 -23.9 -14.9 16.7 15 39 A R E -A 22 0A 90 7,-2.4 7,-2.8 -2,-0.3 2,-0.4 -0.983 21.3-132.0-138.3 132.2 -27.0 -15.9 18.6 16 40 A E E -A 21 0A 89 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.659 27.6-180.0 -77.1 125.7 -30.6 -15.3 17.6 17 41 A V E > S-A 20 0A 7 3,-2.7 3,-1.6 -2,-0.4 68,-0.1 -0.979 70.7 -20.8-131.5 117.4 -32.5 -13.9 20.5 18 42 A D T 3 S- 0 0 84 -2,-0.4 56,-0.2 1,-0.3 -1,-0.1 0.898 129.7 -48.9 47.9 45.1 -36.2 -13.1 20.1 19 43 A G T 3 S+ 0 0 30 1,-0.2 2,-0.5 54,-0.1 -1,-0.3 0.537 117.6 111.2 78.8 7.5 -35.7 -13.0 16.3 20 44 A V E < -A 17 0A 0 -3,-1.6 -3,-2.7 -5,-0.0 2,-0.8 -0.960 64.2-136.7-118.3 123.9 -32.7 -10.7 16.5 21 45 A K E -A 16 0A 80 -2,-0.5 50,-2.7 -5,-0.2 2,-0.4 -0.686 24.0-163.4 -82.6 109.2 -29.3 -11.9 15.5 22 46 A L E -A 15 0A 0 -7,-2.8 -7,-2.4 -2,-0.8 2,-0.3 -0.786 8.1-143.8 -95.6 132.7 -26.8 -10.6 18.1 23 47 A H E +A 14 0A 0 -2,-0.4 40,-2.6 40,-0.3 2,-0.3 -0.715 28.2 165.2 -88.0 143.3 -23.1 -10.6 17.5 24 48 A Y E -AB 13 62A 16 -11,-2.5 -11,-2.7 -2,-0.3 2,-0.4 -0.985 33.0-136.8-152.5 160.8 -20.7 -11.3 20.4 25 49 A V E -AB 12 61A 0 36,-1.5 36,-2.5 -2,-0.3 2,-0.4 -0.983 31.6-177.9-120.3 132.9 -17.1 -12.2 21.2 26 50 A K E +AB 11 60A 52 -15,-2.6 -15,-2.8 -2,-0.4 2,-0.3 -0.979 12.7 138.1-140.3 142.3 -16.6 -14.9 23.8 27 51 A G E + B 0 59A 7 32,-2.0 32,-3.5 -2,-0.4 -17,-0.1 -0.978 30.3 53.1-170.3 165.6 -13.8 -16.6 25.6 28 52 A G E - B 0 58A 37 -19,-0.5 2,-0.3 -2,-0.3 30,-0.3 -0.328 62.7 -91.6 98.2-177.0 -12.4 -17.9 28.9 29 53 A Q S S+ 0 0 132 25,-1.0 268,-0.4 28,-0.6 -2,-0.0 -0.972 70.9 40.9-140.9 152.2 -13.6 -20.2 31.6 30 54 A G S S+ 0 0 35 -2,-0.3 27,-0.2 27,-0.2 28,-0.2 -0.692 96.1 0.1 109.9-165.8 -15.5 -19.8 34.9 31 55 A P S S- 0 0 48 0, 0.0 27,-2.3 0, 0.0 2,-0.3 -0.207 83.3-100.1 -58.6 152.4 -18.5 -17.7 35.9 32 56 A L E -c 58 0A 5 66,-0.3 68,-3.0 25,-0.2 2,-0.4 -0.572 35.2-176.0 -83.1 132.1 -20.0 -15.5 33.2 33 57 A V E -cd 59 100A 0 25,-2.7 27,-2.6 -2,-0.3 2,-0.5 -0.996 10.4-157.0-122.7 127.0 -19.2 -11.8 32.9 34 58 A M E -cd 60 101A 0 66,-2.7 68,-2.6 -2,-0.4 2,-0.5 -0.893 3.5-159.5-103.1 129.7 -21.0 -9.8 30.2 35 59 A L E - d 0 102A 0 25,-2.5 2,-0.5 -2,-0.5 68,-0.2 -0.950 6.9-163.4-111.7 124.3 -19.4 -6.5 29.0 36 60 A V E - d 0 103A 0 66,-2.9 68,-2.4 -2,-0.5 71,-0.2 -0.936 5.5-152.6-120.8 115.8 -21.6 -4.0 27.3 37 61 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.025 9.6-139.9 -74.5 177.7 -20.3 -1.2 25.2 38 62 A G > - 0 0 1 4,-0.2 3,-1.5 1,-0.2 67,-0.1 -0.438 40.3 -32.4-127.4-161.4 -21.7 2.2 24.4 39 63 A F T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.289 119.2 17.8 -64.9 139.9 -22.2 4.9 21.7 40 64 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.321 119.9 65.0 87.8 -6.2 -19.6 5.3 19.0 41 65 A Q < - 0 0 6 -3,-1.5 -1,-0.3 160,-0.1 2,-0.2 -0.589 60.9-149.1-136.5-171.2 -18.1 1.9 19.8 42 66 A T > - 0 0 3 -2,-0.2 3,-2.1 -3,-0.1 4,-0.2 -0.763 57.5 -59.9-147.4-170.1 -18.7 -1.8 19.7 43 67 A W G > S+ 0 0 0 1,-0.3 3,-2.3 -2,-0.2 4,-0.1 0.792 119.5 79.4 -50.1 -30.0 -17.5 -4.9 21.7 44 68 A Y G > S+ 0 0 6 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.709 70.8 76.1 -59.2 -22.4 -14.0 -4.0 20.7 45 69 A E G < S+ 0 0 2 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.803 98.0 49.5 -59.9 -22.4 -13.7 -1.3 23.3 46 70 A W G X> S+ 0 0 0 -3,-2.3 4,-2.6 -4,-0.2 3,-0.5 0.349 77.3 107.2 -93.3 4.0 -13.2 -4.2 25.8 47 71 A H T <4 S+ 0 0 23 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.744 80.4 47.1 -63.8 -24.4 -10.5 -6.0 23.8 48 72 A Q T 34 S+ 0 0 30 -3,-0.4 4,-0.5 -4,-0.3 -1,-0.3 0.801 116.3 43.8 -82.1 -31.7 -7.7 -5.1 26.1 49 73 A L T <> S+ 0 0 3 -3,-0.5 4,-2.2 -4,-0.2 3,-0.4 0.841 100.6 72.8 -76.6 -36.0 -9.7 -6.0 29.3 50 74 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.1 0.854 92.3 49.5 -53.5 -48.9 -11.0 -9.3 27.8 51 75 A P H 4 S+ 0 0 56 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.884 113.0 48.6 -62.7 -36.5 -7.9 -11.5 27.9 52 76 A E H >4 S+ 0 0 51 -4,-0.5 3,-1.1 -3,-0.4 4,-0.2 0.931 114.0 44.8 -68.1 -45.8 -7.1 -10.6 31.5 53 77 A L H >X S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 4,-1.9 0.853 102.6 67.3 -63.7 -35.8 -10.7 -11.3 32.6 54 78 A A T 3< S+ 0 0 18 -4,-2.5 -25,-1.0 1,-0.3 -1,-0.2 0.613 86.3 69.9 -65.5 -12.2 -10.8 -14.5 30.6 55 79 A K T <4 S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.686 119.0 18.0 -73.9 -18.5 -8.2 -16.0 33.0 56 80 A R T <4 S+ 0 0 79 -3,-2.2 241,-3.4 -4,-0.2 2,-0.3 0.517 127.5 36.4-127.4 -15.7 -10.8 -16.1 35.7 57 81 A F S < S- 0 0 0 -4,-1.9 2,-0.7 -27,-0.2 -28,-0.6 -0.935 76.0-108.6-139.2 157.3 -14.2 -15.8 33.9 58 82 A T E -Bc 28 32A 24 -27,-2.3 -25,-2.7 -2,-0.3 2,-0.5 -0.857 48.2-155.0 -81.9 120.3 -16.1 -16.8 30.9 59 83 A V E -Bc 27 33A 0 -32,-3.5 -32,-2.0 -2,-0.7 2,-0.4 -0.863 18.7-178.8-108.1 128.6 -16.3 -13.4 29.1 60 84 A I E -Bc 26 34A 0 -27,-2.6 -25,-2.5 -2,-0.5 -34,-0.2 -0.994 3.9-176.2-125.3 128.9 -19.0 -12.4 26.6 61 85 A A E -B 25 0A 0 -36,-2.5 -36,-1.5 -2,-0.4 2,-0.2 -0.897 13.9-168.1-124.3 99.5 -19.0 -9.0 24.9 62 86 A P E -B 24 0A 1 0, 0.0 -25,-0.6 0, 0.0 2,-0.5 -0.494 23.3-120.3 -85.1 156.6 -22.0 -8.4 22.7 63 87 A D - 0 0 0 -40,-2.6 -40,-0.3 -2,-0.2 3,-0.1 -0.824 40.1-109.9 -84.7 132.0 -22.6 -5.7 20.1 64 88 A L > - 0 0 1 -2,-0.5 3,-2.5 1,-0.2 6,-0.4 -0.276 51.2 -76.0 -58.2 147.7 -25.7 -3.7 21.0 65 89 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.200 121.2 10.0 -49.1 128.9 -28.7 -4.3 18.7 66 90 A G T 3 S+ 0 0 0 5,-0.9 144,-0.2 4,-0.5 2,-0.2 0.138 114.3 92.8 88.1 -19.2 -28.2 -2.4 15.5 67 91 A L S X S- 0 0 4 -3,-2.5 3,-2.5 4,-0.2 -1,-0.3 -0.617 88.0 -5.7-105.1 164.3 -24.5 -1.6 16.3 68 92 A G T 3 S- 0 0 1 1,-0.3 136,-0.1 -2,-0.2 139,-0.0 -0.320 131.3 -30.0 52.7-130.3 -21.4 -3.5 15.4 69 93 A Q T 3 S+ 0 0 29 2,-0.1 2,-0.4 -46,-0.0 -1,-0.3 0.146 110.0 111.7-105.0 18.3 -22.5 -6.7 13.8 70 94 A S < - 0 0 1 -3,-2.5 -4,-0.5 -6,-0.4 -48,-0.2 -0.741 69.0-116.6 -93.5 140.6 -25.8 -7.1 15.6 71 95 A E - 0 0 72 -50,-2.7 -5,-0.9 -2,-0.4 -4,-0.2 -0.318 41.0 -92.1 -65.2 152.9 -29.1 -6.8 13.9 72 96 A P - 0 0 47 0, 0.0 -6,-0.1 0, 0.0 -51,-0.1 -0.269 50.1 -93.5 -60.1 153.4 -31.5 -4.0 15.0 73 97 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.372 24.2-150.0 -67.3 151.5 -34.0 -4.7 17.7 74 98 A K S S+ 0 0 142 -56,-0.2 3,-0.1 2,-0.1 -55,-0.1 0.718 92.9 41.9 -93.7 -27.5 -37.4 -5.8 16.6 75 99 A T S S- 0 0 88 1,-0.3 2,-0.3 6,-0.1 7,-0.1 0.959 118.0 -77.0 -82.6 -64.1 -39.3 -4.4 19.6 76 100 A G - 0 0 14 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.979 29.8 -94.6 176.6-176.2 -37.7 -1.0 20.1 77 101 A Y S S+ 0 0 32 -2,-0.3 140,-0.2 136,-0.2 144,-0.1 0.319 73.0 118.7-107.4 3.3 -34.7 0.9 21.5 78 102 A S S > S- 0 0 0 1,-0.1 4,-2.6 138,-0.1 5,-0.3 -0.336 76.9-110.2 -66.6 157.2 -35.9 1.8 25.0 79 103 A G H > S+ 0 0 1 138,-0.3 4,-2.5 1,-0.2 35,-0.2 0.888 116.9 51.6 -58.7 -41.6 -33.8 0.5 27.8 80 104 A E H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.915 112.9 45.7 -64.2 -40.8 -36.5 -2.0 28.9 81 105 A Q H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.920 115.7 43.8 -67.2 -46.4 -36.8 -3.4 25.4 82 106 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.5 0.879 105.6 63.3 -69.4 -34.2 -33.2 -3.7 24.7 83 107 A A H X S+ 0 0 2 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.823 94.3 62.7 -59.7 -31.5 -32.4 -5.2 28.1 84 108 A V H X S+ 0 0 50 -4,-1.0 4,-2.5 -3,-0.4 5,-0.3 0.935 103.2 48.2 -59.2 -45.5 -34.6 -8.2 27.3 85 109 A Y H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.5 -1,-0.2 0.920 115.2 44.1 -62.0 -43.1 -32.2 -9.1 24.4 86 110 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 24,-0.3 -1,-0.2 0.884 113.3 49.8 -72.0 -39.0 -29.1 -8.8 26.6 87 111 A H H X S+ 0 0 29 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.939 113.0 47.1 -63.1 -46.1 -30.6 -10.6 29.6 88 112 A K H X S+ 0 0 87 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.909 110.8 52.7 -63.6 -41.6 -31.7 -13.5 27.4 89 113 A L H >X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.3 3,-0.7 0.960 111.4 45.6 -56.9 -52.3 -28.4 -13.7 25.7 90 114 A A H >X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-1.1 0.915 110.6 53.6 -59.2 -42.7 -26.5 -13.9 29.0 91 115 A R H 3< S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.712 96.3 66.0 -70.6 -19.4 -28.9 -16.5 30.4 92 116 A Q H << S+ 0 0 103 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.849 114.0 33.1 -65.5 -31.3 -28.4 -18.8 27.4 93 117 A F H << S+ 0 0 64 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.598 132.6 31.3-101.0 -14.4 -24.8 -19.1 28.6 94 118 A S < + 0 0 14 -4,-1.4 3,-0.3 -5,-0.2 -1,-0.2 -0.504 69.6 149.4-137.6 66.2 -25.5 -18.9 32.3 95 119 A P S S+ 0 0 67 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.755 77.5 33.5 -72.6 -23.2 -29.0 -20.4 32.7 96 120 A D S S+ 0 0 126 -3,-0.1 -5,-0.0 2,-0.1 -2,-0.0 0.322 115.0 48.7-121.4 6.3 -28.4 -21.7 36.2 97 121 A R S S- 0 0 173 -3,-0.3 -65,-0.0 -6,-0.1 24,-0.0 -0.982 83.9-102.5-141.2 153.4 -26.0 -19.2 37.9 98 122 A P - 0 0 62 0, 0.0 -66,-0.3 0, 0.0 2,-0.3 -0.350 38.7-149.0 -67.8 158.8 -25.9 -15.5 38.3 99 123 A F E - e 0 122A 1 22,-2.9 24,-2.0 -68,-0.1 25,-0.4 -0.820 11.7-111.1-127.7 164.9 -23.5 -13.6 36.1 100 124 A D E -d 33 0A 8 -68,-3.0 -66,-2.7 -2,-0.3 2,-0.4 -0.683 27.0-153.4 -95.5 153.7 -21.5 -10.4 36.4 101 125 A L E +de 34 125A 0 23,-2.1 25,-2.7 -2,-0.3 2,-0.4 -0.993 14.7 179.6-133.1 131.5 -22.2 -7.2 34.3 102 126 A V E +de 35 126A 0 -68,-2.6 -66,-2.9 -2,-0.4 2,-0.3 -1.000 15.7 176.6-124.9 129.6 -19.9 -4.4 33.2 103 127 A A E -de 36 127A 0 23,-2.4 25,-2.2 -2,-0.4 2,-0.4 -0.993 14.5-162.4-140.3 146.7 -21.4 -1.6 31.1 104 128 A H E > - e 0 128A 0 -68,-2.4 3,-2.4 -2,-0.3 25,-0.2 -0.968 58.0 -34.7-128.0 134.6 -20.2 1.7 29.6 105 129 A D T >> S+ 0 0 17 23,-2.1 3,-2.4 -2,-0.4 4,-0.7 -0.225 134.3 4.6 60.4-131.7 -22.2 4.6 28.4 106 130 A I H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.651 118.1 79.6 -66.7 -9.2 -25.5 3.6 26.8 107 131 A G H <4 S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.817 92.1 53.1 -58.8 -30.7 -24.7 0.0 27.8 108 132 A I H X> S+ 0 0 0 -3,-2.4 4,-2.6 2,-0.2 3,-1.5 0.925 106.2 50.3 -65.8 -48.7 -26.0 1.2 31.2 109 133 A W H 3< S+ 0 0 6 -4,-0.7 -2,-0.2 1,-0.3 -26,-0.2 0.881 112.5 48.8 -55.9 -38.5 -29.2 2.4 29.6 110 134 A N T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.2 -24,-0.3 0.382 119.7 34.1 -89.5 3.6 -29.6 -0.9 27.9 111 135 A T T X> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.2 3,-0.6 0.606 91.4 83.7-126.3 -28.7 -29.0 -3.1 31.0 112 136 A Y H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.903 91.5 52.3 -49.4 -49.0 -30.4 -1.3 34.1 113 137 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.888 109.9 47.6 -59.3 -38.2 -33.9 -2.5 33.5 114 138 A M H <> S+ 0 0 4 -3,-0.6 4,-0.9 -35,-0.2 -2,-0.2 0.840 111.4 52.4 -73.4 -25.8 -32.9 -6.2 33.3 115 139 A V H < S+ 0 0 0 -4,-1.9 3,-0.4 -3,-0.3 7,-0.2 0.947 112.9 42.4 -69.7 -47.3 -30.7 -5.8 36.4 116 140 A V H < S+ 0 0 12 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.826 117.5 47.5 -71.2 -28.9 -33.5 -4.3 38.6 117 141 A K H < S+ 0 0 95 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.623 124.6 30.6 -84.7 -13.7 -36.1 -6.8 37.2 118 142 A N >< + 0 0 49 -4,-0.9 3,-2.1 -3,-0.4 4,-0.4 -0.332 68.8 156.0-139.8 53.1 -33.8 -9.9 37.7 119 143 A Q G > S+ 0 0 45 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.821 72.1 59.8 -57.0 -35.0 -31.6 -9.0 40.7 120 144 A A G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.732 99.5 59.0 -65.9 -20.5 -30.9 -12.6 41.5 121 145 A D G < S+ 0 0 24 -3,-2.1 -22,-2.9 -6,-0.2 2,-0.7 0.576 94.4 73.7 -83.0 -11.2 -29.3 -13.1 38.1 122 146 A I E < +e 99 0A 4 -3,-1.5 -22,-0.2 -4,-0.4 -1,-0.1 -0.892 52.1 177.1-113.9 106.7 -26.7 -10.4 38.7 123 147 A A E S- 0 0 41 -24,-2.0 2,-0.3 -2,-0.7 -23,-0.2 0.944 72.6 -3.4 -70.9 -51.8 -23.9 -11.3 41.1 124 148 A R E - 0 0 28 -25,-0.4 -23,-2.1 111,-0.1 2,-0.4 -0.980 66.8-151.5-145.6 154.2 -21.8 -8.1 40.8 125 149 A L E -ef 101 237A 0 111,-2.1 113,-2.2 -2,-0.3 2,-0.4 -0.986 9.2-172.3-136.4 133.0 -22.2 -4.9 38.7 126 150 A V E -ef 102 238A 0 -25,-2.7 -23,-2.4 -2,-0.4 2,-0.4 -0.988 11.1-178.1-124.9 121.2 -19.8 -2.4 37.3 127 151 A Y E -ef 103 239A 1 111,-2.4 113,-2.0 -2,-0.4 2,-0.4 -0.956 5.9-178.2-117.1 136.8 -21.2 0.8 35.6 128 152 A M E -ef 104 240A 0 -25,-2.2 -23,-2.1 -2,-0.4 113,-0.2 -0.991 46.0 -6.1-140.5 137.5 -19.1 3.5 34.0 129 153 A E S S+ 0 0 1 111,-1.7 -1,-0.1 -2,-0.4 112,-0.1 0.884 96.2 70.2 59.0 57.0 -19.5 6.8 32.3 130 154 A A S S- 0 0 2 -26,-0.1 2,-0.2 -3,-0.1 -1,-0.0 -0.724 74.8-103.7 178.2 150.4 -23.1 7.7 31.7 131 155 A P - 0 0 4 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.522 34.4-117.0 -72.0 143.4 -26.2 8.6 33.7 132 156 A I - 0 0 1 -2,-0.2 2,-0.5 120,-0.1 5,-0.2 -0.629 51.8 -93.0 -64.1 135.8 -28.9 6.1 34.3 133 157 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.438 80.3 116.3 -64.5 112.5 -31.9 7.5 32.4 134 158 A D S > S- 0 0 13 -2,-0.5 3,-2.1 91,-0.1 4,-0.3 -0.910 82.5 -70.2-157.6-176.9 -33.8 9.6 34.9 135 159 A A G > S+ 0 0 63 1,-0.3 3,-1.5 -2,-0.3 4,-0.2 0.684 115.7 78.3 -61.5 -16.5 -34.9 13.2 35.6 136 160 A R G > S+ 0 0 79 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.836 82.1 68.2 -58.6 -29.2 -31.3 14.2 36.4 137 161 A I G X S+ 0 0 0 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.767 89.6 62.2 -65.8 -22.0 -30.6 14.2 32.7 138 162 A Y G < S+ 0 0 50 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.493 95.7 62.4 -79.0 -1.9 -32.8 17.3 32.3 139 163 A R G < S+ 0 0 176 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.563 75.3 105.9 -99.3 -11.0 -30.4 19.3 34.5 140 164 A F S < S- 0 0 25 -3,-0.7 301,-2.9 -4,-0.4 302,-0.4 -0.473 76.0-111.6 -69.1 142.0 -27.3 19.0 32.3 141 165 A P B -H 440 0B 43 0, 0.0 10,-0.4 0, 0.0 11,-0.1 -0.392 6.1-142.2 -80.8 150.6 -26.6 22.3 30.5 142 166 A A S S+ 0 0 0 297,-2.9 7,-0.6 294,-0.2 312,-0.5 0.697 88.3 10.3 -76.8 -20.9 -26.9 23.0 26.8 143 167 A F E -I 148 0C 0 296,-0.4 2,-0.3 293,-0.2 -1,-0.2 -0.982 69.3-155.9-159.7 149.2 -23.7 25.2 26.9 144 168 A T E > -I 147 0C 38 3,-2.1 3,-1.4 -2,-0.3 374,-0.1 -0.871 38.7-103.1-132.1 166.5 -20.9 26.0 29.3 145 169 A A T 3 S+ 0 0 61 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.623 124.5 54.3 -63.7 -11.7 -18.4 28.7 30.0 146 170 A Q T 3 S- 0 0 72 1,-0.4 -1,-0.3 731,-0.1 640,-0.2 -0.329 118.2-108.9-112.5 46.0 -15.9 26.3 28.4 147 171 A G E < S+I 144 0C 12 -3,-1.4 -3,-2.1 311,-0.0 -1,-0.4 -0.322 84.2 35.7 70.8-141.4 -17.9 25.9 25.1 148 172 A E E S-I 143 0C 23 306,-0.2 -5,-0.2 -5,-0.2 638,-0.1 -0.112 76.1-131.7 -59.5 141.2 -19.7 22.7 24.2 149 173 A S - 0 0 5 -7,-0.6 3,-0.3 302,-0.1 4,-0.2 -0.283 21.1-104.5 -87.5 174.1 -21.4 20.8 27.0 150 174 A L S S+ 0 0 54 1,-0.2 3,-0.2 2,-0.1 -8,-0.1 0.890 110.0 21.8 -66.6 -42.1 -21.2 17.1 27.8 151 175 A V S > S+ 0 0 9 -10,-0.4 3,-2.1 1,-0.2 4,-0.5 0.135 74.4 117.0-125.8 26.5 -24.6 16.0 26.6 152 176 A W T >> S+ 0 0 6 -3,-0.3 4,-1.4 1,-0.3 3,-1.1 0.829 73.0 72.3 -58.4 -28.2 -26.0 18.5 24.1 153 177 A H H 3> S+ 0 0 11 1,-0.3 4,-3.1 -4,-0.2 5,-0.3 0.714 78.8 75.1 -61.6 -19.1 -25.8 15.6 21.6 154 178 A F H <> S+ 0 0 6 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.942 102.8 38.9 -55.3 -47.1 -28.8 14.1 23.4 155 179 A S H <> S+ 0 0 0 -3,-1.1 4,-1.3 -4,-0.5 292,-0.2 0.903 115.6 51.8 -69.0 -43.6 -31.0 16.7 21.7 156 180 A F H < S+ 0 0 0 -4,-1.4 3,-0.5 1,-0.2 8,-0.5 0.951 115.7 40.7 -58.5 -49.2 -29.1 16.5 18.4 157 181 A F H < S+ 0 0 0 -4,-3.1 59,-0.2 1,-0.2 -1,-0.2 0.820 116.4 49.8 -71.4 -30.9 -29.5 12.7 18.2 158 182 A A H < S+ 0 0 19 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.628 84.7 115.8 -82.6 -13.5 -33.1 12.8 19.5 159 183 A A < - 0 0 2 -4,-1.3 4,-0.3 -3,-0.5 5,-0.3 -0.170 63.6-124.7 -58.9 147.1 -34.2 15.4 17.0 160 184 A D S > S+ 0 0 106 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 -0.072 85.5 62.1 -83.2-171.2 -36.8 14.4 14.5 161 185 A D T 3 S- 0 0 99 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.677 121.6 -84.5 67.7 17.0 -36.7 14.6 10.7 162 186 A R T 3> S+ 0 0 128 -3,-0.3 4,-2.5 -4,-0.1 -1,-0.3 0.898 77.4 165.4 49.3 42.6 -33.7 12.2 10.9 163 187 A L H <> + 0 0 0 -3,-1.3 4,-2.1 -4,-0.3 5,-0.2 0.931 67.2 45.4 -54.9 -52.0 -31.7 15.4 11.5 164 188 A A H > S+ 0 0 0 -8,-0.5 4,-2.5 -5,-0.3 5,-0.3 0.925 115.1 44.8 -64.1 -47.6 -28.6 13.6 12.8 165 189 A E H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 112.7 53.4 -61.0 -40.0 -28.4 10.9 10.2 166 190 A T H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.5 36.9 -64.9 -39.9 -29.1 13.4 7.4 167 191 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.835 122.3 42.9 -78.2 -34.0 -26.2 15.6 8.6 168 192 A I H >< S+ 0 0 0 -4,-2.5 3,-2.7 -5,-0.2 7,-0.2 0.756 82.5 106.2 -91.1 -25.9 -23.8 12.9 9.6 169 193 A A T 3< S+ 0 0 49 -4,-2.4 34,-0.0 1,-0.3 -4,-0.0 -0.319 92.7 16.8 -57.4 132.5 -24.1 10.4 6.7 170 194 A G T 3 S+ 0 0 67 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.285 124.6 62.9 86.0 -10.4 -21.0 10.7 4.5 171 195 A K <> + 0 0 44 -3,-2.7 4,-2.6 2,-0.1 5,-0.2 -0.056 62.0 122.0-130.6 28.0 -19.2 12.5 7.3 172 196 A E H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 73.9 49.9 -65.5 -39.0 -19.2 9.7 9.9 173 197 A R H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 113.0 46.9 -69.6 -40.6 -15.4 9.5 10.2 174 198 A F H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 114.8 46.8 -61.6 -48.1 -15.1 13.3 10.7 175 199 A F H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.925 110.4 51.0 -64.6 -44.1 -18.0 13.4 13.2 176 200 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.886 108.2 52.2 -64.7 -37.2 -16.8 10.4 15.3 177 201 A E H X S+ 0 0 39 -4,-1.7 4,-2.4 -5,-0.2 5,-0.3 0.944 113.7 44.1 -62.8 -44.4 -13.3 11.8 15.6 178 202 A H H X S+ 0 0 6 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.940 115.2 48.1 -65.1 -46.6 -14.7 15.1 16.9 179 203 A F H X S+ 0 0 11 -4,-3.1 4,-0.8 -5,-0.2 -2,-0.2 0.934 115.9 42.7 -59.4 -47.9 -17.2 13.4 19.2 180 204 A I H >< S+ 0 0 0 -4,-2.9 3,-1.1 -5,-0.2 93,-0.2 0.967 116.9 45.4 -66.1 -50.3 -14.7 11.1 20.7 181 205 A K H >< S+ 0 0 32 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.888 108.2 57.0 -64.2 -36.0 -11.9 13.6 21.1 182 206 A S H 3< S+ 0 0 27 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.722 112.0 43.8 -67.1 -20.0 -14.2 16.2 22.6 183 207 A H T << S+ 0 0 10 -3,-1.1 90,-3.0 -4,-0.8 91,-0.3 0.238 103.6 87.7-104.8 11.3 -15.2 13.7 25.3 184 208 A A < - 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0 0 0 -4,-1.6 5,-0.3 -3,-0.2 3,-0.2 -0.122 63.8-126.4 -54.8 150.6 -17.8 23.6 18.6 459 184 B D S > S+ 0 0 3 1,-0.2 3,-1.8 2,-0.1 330,-0.1 0.049 84.2 64.1 -83.1-164.0 -14.4 23.6 17.0 460 185 B D T 3 S- 0 0 40 328,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.667 121.6 -83.7 58.0 18.5 -13.1 21.6 14.0 461 186 B R T 3> S+ 0 0 92 -3,-0.2 4,-2.6 -4,-0.1 -1,-0.3 0.907 76.7 166.9 47.9 44.7 -15.7 23.6 12.0 462 187 B L H <> + 0 0 0 -3,-1.8 4,-2.1 -4,-0.2 5,-0.2 0.931 68.3 43.3 -53.4 -51.8 -18.1 20.9 13.2 463 188 B A H > S+ 0 0 0 -8,-0.4 4,-2.5 -5,-0.3 5,-0.3 0.919 115.2 46.2 -67.2 -46.3 -21.2 22.9 12.1 464 189 B E H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 113.3 51.4 -60.2 -42.3 -20.0 24.0 8.7 465 190 B T H < S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.5 38.1 -65.8 -41.4 -18.7 20.5 7.9 466 191 B L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.838 120.8 44.8 -76.8 -33.0 -22.0 18.7 8.8 467 192 B I H >< S+ 0 0 0 -4,-2.5 3,-2.8 -5,-0.2 7,-0.2 0.797 84.3 104.2 -87.6 -28.6 -24.3 21.4 7.4 468 193 B A T 3< S+ 0 0 44 -4,-2.4 34,-0.0 -5,-0.3 -4,-0.0 -0.283 91.5 19.3 -54.6 131.0 -22.5 22.0 4.1 469 194 B G T 3 S+ 0 0 63 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.247 126.4 58.2 90.3 -12.9 -24.5 20.3 1.3 470 195 B K <> + 0 0 88 -3,-2.8 4,-2.8 2,-0.1 5,-0.2 -0.078 64.0 126.1-135.6 31.4 -27.6 20.2 3.5 471 196 B E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 75.9 45.8 -65.0 -42.9 -28.0 23.9 4.3 472 197 B R H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 114.0 49.4 -67.1 -45.0 -31.6 24.1 3.2 473 198 B F H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.932 114.2 45.2 -58.5 -48.1 -32.5 21.0 5.1 474 199 B F H X S+ 0 0 2 -4,-2.8 4,-3.0 -7,-0.2 5,-0.2 0.935 112.0 50.1 -65.6 -44.7 -30.9 22.2 8.2 475 200 B L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.908 109.8 51.5 -63.8 -39.0 -32.3 25.7 8.1 476 201 B E H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.941 112.8 45.6 -62.0 -45.5 -35.8 24.4 7.6 477 202 B H H X S+ 0 0 7 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.936 114.7 48.1 -61.6 -44.7 -35.5 22.1 10.6 478 203 B F H X S+ 0 0 9 -4,-3.0 4,-0.7 2,-0.2 -2,-0.2 0.917 114.8 44.3 -62.6 -46.4 -33.9 24.9 12.7 479 204 B I H >< S+ 0 0 0 -4,-3.0 3,-1.3 -5,-0.2 93,-0.2 0.975 116.6 44.9 -64.7 -52.2 -36.5 27.4 11.9 480 205 B K H >< S+ 0 0 64 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.855 108.2 57.4 -65.2 -31.7 -39.5 25.1 12.3 481 206 B S H 3< S+ 0 0 42 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.694 112.4 42.7 -70.4 -16.1 -38.2 23.6 15.5 482 207 B H T << S+ 0 0 10 -3,-1.3 90,-2.8 -4,-0.7 91,-0.3 0.252 104.9 88.3-110.7 11.1 -38.1 27.1 17.0 483 208 B A < - 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0 0 5 -7,-0.6 3,-0.4 -296,-0.1 4,-0.2 -0.279 20.8-104.5 -85.9 173.5 17.8 12.7 24.1 1047 174 D L S S+ 0 0 53 1,-0.2 3,-0.2 -9,-0.1 -8,-0.1 0.861 109.0 22.8 -67.0 -40.3 17.9 9.0 23.1 1048 175 D V S > S+ 0 0 11 -10,-0.4 3,-2.0 1,-0.1 4,-0.5 0.076 72.3 118.5-128.5 28.1 14.2 8.3 23.0 1049 176 D W T >> S+ 0 0 6 -3,-0.4 4,-1.6 1,-0.3 3,-1.0 0.814 73.3 73.1 -58.8 -26.3 12.2 11.5 22.5 1050 177 D H H 3> S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.730 78.4 73.9 -61.0 -20.5 11.1 9.8 19.3 1051 178 D F H <> S+ 0 0 7 -3,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.937 104.7 37.7 -57.3 -44.7 8.9 7.5 21.4 1052 179 D S H <> S+ 0 0 0 -3,-1.0 4,-1.4 -4,-0.5 -306,-0.2 0.898 116.2 52.2 -71.4 -42.8 6.6 10.5 21.9 1053 180 D F H < S+ 0 0 0 -4,-1.6 8,-0.4 1,-0.2 3,-0.3 0.944 116.0 40.0 -58.6 -48.2 7.0 11.8 18.4 1054 181 D F H < S+ 0 0 0 -4,-3.2 59,-0.2 1,-0.2 -1,-0.2 0.808 115.9 50.1 -74.6 -30.1 6.2 8.4 16.8 1055 182 D A H < S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.658 85.6 114.6 -82.3 -15.7 3.3 7.5 19.3 1056 183 D A < - 0 0 0 -4,-1.4 5,-0.3 -3,-0.3 4,-0.3 -0.134 63.8-126.2 -56.6 148.5 1.6 10.9 18.8 1057 184 D D S > S+ 0 0 4 1,-0.2 3,-1.7 2,-0.2 -866,-0.1 0.035 84.1 63.8 -80.4-165.1 -1.8 10.9 17.2 1058 185 D D T 3 S- 0 0 41 -868,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.673 121.8 -83.3 59.0 19.1 -3.0 12.9 14.2 1059 186 D R T 3> S+ 0 0 91 -3,-0.2 4,-2.6 -4,-0.1 -1,-0.3 0.913 77.5 166.6 48.9 44.8 -0.5 10.9 12.1 1060 187 D L H <> + 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 5,-0.2 0.936 68.0 42.9 -56.8 -50.3 2.0 13.5 13.4 1061 188 D A H > S+ 0 0 0 -8,-0.4 4,-2.5 -5,-0.3 5,-0.3 0.918 115.6 46.6 -67.5 -45.5 5.1 11.6 12.4 1062 189 D E H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 113.1 51.1 -61.0 -40.3 3.9 10.4 8.9 1063 190 D T H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.6 38.1 -68.8 -41.5 2.6 13.9 8.1 1064 191 D L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.857 120.3 44.7 -75.1 -36.2 5.9 15.7 9.0 1065 192 D I H >< S+ 0 0 0 -4,-2.5 3,-2.8 -5,-0.2 7,-0.2 0.771 84.7 105.3 -85.4 -26.1 8.2 13.0 7.6 1066 193 D A T 3< S+ 0 0 43 -4,-2.1 34,-0.0 -5,-0.3 -4,-0.0 -0.314 91.1 18.5 -55.4 131.4 6.4 12.4 4.3 1067 194 D G T 3 S+ 0 0 59 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.297 126.2 59.0 86.2 -9.7 8.5 14.1 1.6 1068 195 D K <> + 0 0 73 -3,-2.8 4,-2.9 2,-0.1 5,-0.2 -0.061 63.2 126.2-136.4 30.5 11.5 14.2 3.8 1069 196 D E H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 76.1 45.5 -63.1 -42.7 11.9 10.5 4.6 1070 197 D R H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 114.4 49.3 -68.3 -43.6 15.6 10.3 3.5 1071 198 D F H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.936 113.6 45.6 -59.4 -49.4 16.5 13.4 5.4 1072 199 D F H X S+ 0 0 2 -4,-2.9 4,-3.0 -7,-0.2 -2,-0.2 0.922 111.4 51.3 -63.4 -44.2 14.8 12.2 8.6 1073 200 D L H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.894 108.3 51.3 -65.1 -40.0 16.2 8.8 8.5 1074 201 D E H X S+ 0 0 47 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.940 113.1 46.0 -59.9 -45.2 19.8 10.0 8.0 1075 202 D H H X S+ 0 0 11 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.951 114.9 47.5 -61.2 -46.4 19.3 12.3 11.0 1076 203 D F H X S+ 0 0 8 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.934 115.6 43.1 -62.6 -47.3 17.8 9.5 13.1 1077 204 D I H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 4,-0.3 0.965 116.8 45.9 -64.8 -50.4 20.4 6.9 12.3 1078 205 D K H >< S+ 0 0 57 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.870 107.9 56.8 -65.0 -32.8 23.3 9.3 12.7 1079 206 D S H 3< S+ 0 0 44 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.701 112.1 43.5 -69.7 -17.1 22.0 10.7 16.0 1080 207 D H T << S+ 0 0 9 -3,-1.2 90,-2.7 -4,-0.8 2,-0.3 0.287 102.4 89.1-108.6 8.2 21.9 7.2 17.4 1081 208 D A < - 0 0 10 -3,-1.2 3,-0.2 -4,-0.3 87,-0.1 -0.768 52.4-165.7-105.1 150.7 25.3 6.1 16.1 1082 209 D S S S+ 0 0 43 -2,-0.3 2,-0.7 1,-0.3 -1,-0.1 0.788 94.3 40.8 -88.1 -43.4 28.8 6.4 17.5 1083 210 D N > + 0 0 60 1,-0.1 3,-0.5 59,-0.1 -1,-0.3 -0.883 62.4 172.5-110.6 101.5 30.3 5.6 14.1 1084 211 D T G > + 0 0 64 -2,-0.7 3,-1.7 1,-0.2 -1,-0.1 0.674 66.7 80.4 -79.7 -15.9 28.5 7.4 11.3 1085 212 D E G 3 S+ 0 0 145 1,-0.3 -1,-0.2 90,-0.0 -2,-0.0 0.761 79.7 66.7 -64.7 -26.4 31.0 6.4 8.7 1086 213 D V G < S+ 0 0 42 -3,-0.5 2,-0.8 1,-0.2 -1,-0.3 0.538 86.9 77.8 -75.0 -6.2 29.5 2.9 8.3 1087 214 D F S < S- 0 0 5 -3,-1.7 -1,-0.2 4,-0.1 -9,-0.0 -0.815 71.5-163.3-107.2 93.4 26.4 4.4 6.8 1088 215 D S > - 0 0 62 -2,-0.8 4,-2.2 1,-0.1 5,-0.2 -0.272 33.0-111.5 -68.9 159.7 27.1 5.3 3.2 1089 216 D E H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.895 120.5 53.3 -58.3 -38.3 24.8 7.7 1.3 1090 217 D R H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 106.3 50.1 -64.0 -44.1 23.7 4.7 -0.8 1091 218 D L H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 110.9 50.1 -61.4 -41.1 22.8 2.6 2.2 1092 219 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.888 107.5 54.8 -64.4 -38.2 20.7 5.4 3.6 1093 220 D D H X S+ 0 0 68 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.919 108.4 48.8 -57.6 -45.5 19.0 5.7 0.2 1094 221 D L H X S+ 0 0 9 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.942 114.0 43.9 -62.9 -49.4 18.1 2.0 0.3 1095 222 D Y H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.914 114.2 50.6 -63.5 -40.1 16.7 2.1 3.8 1096 223 D A H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.910 106.1 53.9 -66.8 -39.9 14.8 5.4 3.2 1097 224 D R H < S+ 0 0 126 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.864 110.6 48.9 -66.2 -30.6 13.2 4.2 -0.0 1098 225 D S H >< S+ 0 0 2 -4,-1.5 3,-1.4 -5,-0.2 -2,-0.2 0.968 114.8 39.7 -70.4 -54.3 11.8 1.1 1.8 1099 226 D Y H 3< S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.684 103.6 72.6 -75.7 -10.9 10.3 2.8 4.9 1100 227 D A T 3< + 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.659 66.0 110.1 -75.2 -16.9 9.1 5.7 2.7 1101 228 D K S X> S- 0 0 51 -3,-1.4 4,-2.6 -4,-0.4 3,-1.0 -0.426 82.3-123.4 -54.5 129.0 6.4 3.4 1.2 1102 229 D P H 3> S+ 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.877 109.6 48.2 -53.0 -40.6 3.3 5.0 2.7 1103 230 D H H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.817 114.3 47.8 -70.0 -26.3 2.1 1.8 4.4 1104 231 D S H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.837 108.0 53.7 -80.0 -33.1 5.6 1.2 5.7 1105 232 D L H X S+ 0 0 7 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.938 114.9 42.2 -63.5 -45.3 6.0 4.7 7.1 1106 233 D N H X S+ 0 0 27 -4,-2.2 4,-2.3 -5,-0.3 3,-0.4 0.940 111.9 53.2 -65.6 -46.6 2.7 4.3 8.9 1107 234 D A H X S+ 0 0 0 -4,-2.1 4,-1.4 -144,-0.3 -2,-0.2 0.910 103.2 60.2 -54.9 -43.9 3.5 0.7 10.1 1108 235 D S H < S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.904 111.5 37.8 -46.9 -49.3 6.8 2.1 11.5 1109 236 D F H >X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.4 3,-0.7 0.780 103.1 69.8 -83.1 -24.1 5.0 4.4 13.8 1110 237 D E H 3X S+ 0 0 4 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.850 92.1 61.7 -61.8 -30.2 2.1 2.0 14.7 1111 238 D Y H 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.886 108.9 42.3 -59.7 -36.2 4.7 -0.0 16.6 1112 239 D Y H X4 S+ 0 0 3 -3,-0.7 3,-1.2 -4,-0.5 4,-0.4 0.832 107.7 58.2 -79.5 -33.2 5.2 3.0 18.8 1113 240 D R H 3< S+ 0 0 42 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.748 110.7 46.2 -67.5 -21.3 1.5 3.8 19.0 1114 241 D A T 3X S+ 0 0 10 -4,-1.4 4,-2.5 -5,-0.2 -138,-0.3 0.418 85.4 99.0 -95.0 -0.6 1.1 0.3 20.5 1115 242 D L H <> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.896 80.2 49.2 -58.4 -46.7 4.1 0.7 22.9 1116 243 D N H > S+ 0 0 19 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.896 112.2 50.3 -62.0 -36.5 2.0 1.5 26.0 1117 244 D E H > S+ 0 0 32 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.923 109.1 51.7 -64.9 -41.9 -0.2 -1.6 25.2 1118 245 D S H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.905 107.4 52.8 -60.1 -43.1 2.9 -3.7 24.9 1119 246 D V H X S+ 0 0 14 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.937 110.7 47.4 -56.0 -46.4 4.2 -2.5 28.2 1120 247 D R H X S+ 0 0 57 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.907 112.1 49.6 -65.3 -40.3 0.8 -3.5 29.8 1121 248 D Q H >X S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 3,-0.9 0.920 110.4 50.9 -59.7 -44.8 1.0 -6.9 28.1 1122 249 D N H 3X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.767 96.0 68.3 -71.2 -24.1 4.5 -7.5 29.3 1123 250 D A H 3< S+ 0 0 64 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.840 110.5 36.5 -62.3 -31.8 3.6 -6.7 32.9 1124 251 D E H X< S+ 0 0 54 -3,-0.9 3,-1.5 -4,-0.8 -2,-0.2 0.881 115.8 52.4 -84.2 -43.1 1.6 -9.9 32.9 1125 252 D L H >< S+ 0 0 25 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.863 97.0 68.2 -60.6 -35.0 3.9 -11.9 30.7 1126 253 D A T 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.513 74.1 85.4 -70.7 -4.1 7.0 -11.2 32.9 1127 254 D K T < S+ 0 0 152 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.690 85.6 67.4 -66.0 -17.0 5.5 -13.2 35.7 1128 255 D T S < S- 0 0 78 -3,-2.1 -1,-0.1 -4,-0.2 2,-0.1 -0.933 87.1-138.2-108.4 116.3 7.2 -16.0 33.9 1129 256 D R - 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