==== 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 3KD2 . COMPND 2 MOLECULE: CFTR INHIBITORY FACTOR (CIF); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA UCBPP-PA14; . AUTHOR C.D.BAHL,D.R.MADDEN . 1172 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 6.2 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 . 2 0.2 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 . 51 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 29.8 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 14 1 0 1 0 12 5 3 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 3 1 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 0 135 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.7 -16.0 42.1 8.2 2 26 A E - 0 0 78 1,-0.1 4,-0.0 4,-0.0 10,-0.0 -0.976 360.0-155.2-119.0 131.3 -15.0 43.9 11.4 3 27 A E S S+ 0 0 52 -2,-0.4 -1,-0.1 1,-0.1 198,-0.1 0.808 87.0 27.3 -71.3 -28.9 -15.2 47.6 11.8 4 28 A F S S- 0 0 2 -3,-0.1 2,-0.2 197,-0.0 -1,-0.1 -0.968 96.7 -93.8-134.4 150.8 -12.6 47.4 14.6 5 29 A P - 0 0 30 0, 0.0 952,-0.1 0, 0.0 3,-0.0 -0.441 38.8-132.1 -65.7 124.4 -9.7 45.0 15.4 6 30 A V - 0 0 40 -2,-0.2 3,-0.1 1,-0.1 6,-0.1 -0.611 27.2-110.4 -76.4 133.3 -10.8 42.3 17.8 7 31 A P > - 0 0 21 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.318 47.0 -84.0 -61.4 148.5 -8.3 41.8 20.6 8 32 A N T 3 S+ 0 0 132 1,-0.3 3,-0.1 -3,-0.0 955,-0.0 -0.278 116.6 19.7 -54.6 130.9 -6.4 38.5 20.5 9 33 A G T 3 S+ 0 0 67 1,-0.4 19,-0.5 -3,-0.1 2,-0.3 0.521 102.3 109.0 85.8 4.8 -8.3 35.6 22.0 10 34 A F < - 0 0 26 -3,-1.9 2,-0.4 17,-0.1 -1,-0.4 -0.788 58.4-139.8-106.8 156.9 -11.7 37.4 21.7 11 35 A E E -A 26 0A 99 15,-2.9 15,-2.7 -2,-0.3 2,-0.6 -0.935 2.8-144.4-116.4 141.5 -14.5 36.5 19.3 12 36 A S E +A 25 0A 32 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.921 40.4 149.9 -99.3 124.7 -16.7 38.9 17.4 13 37 A A E -A 24 0A 18 11,-2.6 11,-2.3 -2,-0.6 2,-0.3 -0.848 36.8-123.6-146.3 177.7 -20.2 37.4 17.1 14 38 A Y E -A 23 0A 99 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.964 12.4-167.0-131.4 148.3 -23.9 38.2 16.8 15 39 A R E -A 22 0A 106 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.983 20.8-133.8-135.7 125.3 -27.0 37.3 18.9 16 40 A E E -A 21 0A 90 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.666 28.7-178.9 -74.5 120.6 -30.6 37.7 17.8 17 41 A V E > -A 20 0A 7 3,-3.1 3,-1.8 -2,-0.5 68,-0.1 -0.971 68.6 -23.0-127.3 116.6 -32.5 39.3 20.7 18 42 A D T 3 S- 0 0 84 -2,-0.5 56,-0.2 1,-0.3 -1,-0.1 0.906 129.4 -48.7 48.4 45.1 -36.2 40.0 20.3 19 43 A G T 3 S+ 0 0 31 1,-0.2 2,-0.5 54,-0.1 -1,-0.3 0.510 118.4 112.1 78.5 5.0 -35.8 40.0 16.5 20 44 A V E < -A 17 0A 0 -3,-1.8 -3,-3.1 51,-0.0 2,-0.8 -0.949 64.0-136.0-114.7 126.2 -32.8 42.4 16.7 21 45 A K E -A 16 0A 83 -2,-0.5 50,-2.8 -5,-0.2 2,-0.4 -0.698 24.0-164.5 -83.3 111.1 -29.3 41.2 15.7 22 46 A L E -A 15 0A 0 -7,-2.6 -7,-2.3 -2,-0.8 2,-0.3 -0.806 8.4-144.7 -98.5 132.5 -26.8 42.5 18.3 23 47 A H E +A 14 0A 0 -2,-0.4 40,-2.7 40,-0.3 2,-0.3 -0.718 28.4 162.8 -89.4 145.3 -23.1 42.5 17.6 24 48 A Y E -AB 13 62A 16 -11,-2.3 -11,-2.6 -2,-0.3 2,-0.4 -0.983 34.3-133.3-154.5 162.9 -20.7 41.9 20.5 25 49 A V E -AB 12 61A 0 36,-1.5 36,-2.2 -2,-0.3 2,-0.4 -0.990 29.9-173.2-121.0 130.6 -17.1 40.9 21.3 26 50 A K E +AB 11 60A 45 -15,-2.7 -15,-2.9 -2,-0.4 2,-0.3 -0.947 13.6 142.5-131.8 143.5 -16.6 38.3 23.9 27 51 A G E + B 0 59A 7 32,-2.1 32,-3.4 -2,-0.4 -17,-0.1 -0.986 31.7 41.6-166.1 167.8 -13.6 36.7 25.7 28 52 A G E - B 0 58A 35 -19,-0.5 2,-0.3 -2,-0.3 30,-0.3 -0.201 64.9 -90.9 85.2-173.6 -12.3 35.4 28.9 29 53 A Q S S+ 0 0 166 25,-1.0 -2,-0.0 28,-0.7 0, 0.0 -0.969 70.2 41.1-142.8 152.9 -13.6 33.1 31.6 30 54 A G S S+ 0 0 47 -2,-0.3 28,-0.2 27,-0.2 27,-0.2 -0.670 95.1 2.9 109.2-164.7 -15.5 33.4 34.9 31 55 A P S S- 0 0 83 0, 0.0 27,-2.7 0, 0.0 2,-0.3 -0.152 83.5-101.5 -55.0 152.4 -18.4 35.6 36.0 32 56 A L E -c 58 0A 4 66,-0.3 68,-2.9 25,-0.2 2,-0.4 -0.608 34.3-176.8 -84.6 133.7 -19.9 37.8 33.3 33 57 A V E -cd 59 100A 0 25,-2.7 27,-2.4 -2,-0.3 2,-0.5 -0.999 11.4-156.4-121.7 129.0 -19.2 41.5 33.0 34 58 A M E -cd 60 101A 0 66,-2.5 68,-2.6 -2,-0.4 2,-0.5 -0.913 2.9-158.8-105.0 127.7 -21.0 43.5 30.2 35 59 A L E - d 0 102A 0 25,-2.7 2,-0.5 -2,-0.5 68,-0.2 -0.926 7.3-164.4-106.3 124.3 -19.3 46.7 29.0 36 60 A V E - d 0 103A 0 66,-3.0 68,-2.4 -2,-0.5 71,-0.2 -0.934 6.9-150.4-118.9 117.2 -21.7 49.2 27.3 37 61 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.033 9.3-139.3 -76.9 179.0 -20.3 52.0 25.2 38 62 A G > - 0 0 1 4,-0.2 3,-1.3 1,-0.2 67,-0.2 -0.442 41.0 -34.2-126.5-161.9 -21.8 55.5 24.5 39 63 A F T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.284 118.8 17.6 -66.2 141.7 -22.3 58.1 21.7 40 64 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.333 119.9 65.4 85.3 -5.7 -19.7 58.5 19.0 41 65 A Q < - 0 0 6 -3,-1.3 -1,-0.3 160,-0.1 2,-0.2 -0.618 61.4-147.8-135.5-170.9 -18.2 55.1 19.7 42 66 A T > - 0 0 2 -2,-0.2 3,-1.9 -3,-0.1 4,-0.3 -0.742 56.7 -61.1-144.9-169.6 -18.7 51.4 19.8 43 67 A W G > S+ 0 0 0 1,-0.3 3,-2.2 -2,-0.2 4,-0.1 0.792 119.4 79.7 -49.7 -28.7 -17.6 48.3 21.7 44 68 A Y G > S+ 0 0 18 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.709 71.1 74.5 -60.9 -24.0 -14.1 49.3 20.7 45 69 A E G < S+ 0 0 2 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.782 98.9 49.7 -59.5 -22.7 -13.7 52.0 23.3 46 70 A W G X> S+ 0 0 1 -3,-2.2 4,-2.5 -4,-0.3 3,-0.5 0.370 77.5 107.0 -93.3 2.8 -13.3 49.1 25.8 47 71 A H T <4 S+ 0 0 22 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.718 80.2 47.2 -63.9 -22.9 -10.6 47.2 23.8 48 72 A Q T 3> S+ 0 0 31 -3,-0.4 4,-0.5 -4,-0.2 -1,-0.3 0.822 116.0 44.0 -82.5 -34.3 -7.8 48.1 26.1 49 73 A L H <> S+ 0 0 3 -3,-0.5 4,-2.2 -4,-0.2 3,-0.4 0.836 100.4 71.5 -77.6 -34.5 -9.7 47.2 29.3 50 74 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.865 93.2 50.8 -55.5 -47.9 -11.1 43.9 27.9 51 75 A P H 4 S+ 0 0 52 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.881 112.4 48.6 -60.8 -37.6 -7.9 41.8 27.9 52 76 A E H >< S+ 0 0 38 -4,-0.5 3,-1.0 -3,-0.4 -2,-0.2 0.916 114.4 44.5 -66.2 -45.9 -7.2 42.7 31.5 53 77 A L H >X S+ 0 0 0 -4,-2.2 3,-2.6 1,-0.2 4,-2.5 0.864 101.8 68.1 -64.0 -37.7 -10.7 41.9 32.6 54 78 A A T 3< S+ 0 0 17 -4,-2.7 -25,-1.0 1,-0.3 -1,-0.2 0.625 86.9 69.0 -62.2 -13.6 -10.7 38.7 30.6 55 79 A K T <4 S+ 0 0 142 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.670 119.4 17.7 -75.5 -16.7 -8.1 37.3 33.0 56 80 A R T <4 S+ 0 0 131 -3,-2.6 2,-0.3 -4,-0.2 -2,-0.2 0.558 127.5 35.7-127.7 -21.1 -10.8 37.2 35.8 57 81 A F S < S- 0 0 15 -4,-2.5 2,-0.7 -27,-0.2 -28,-0.7 -0.886 76.0-107.4-134.7 160.5 -14.1 37.5 34.0 58 82 A T E -Bc 28 32A 22 -27,-2.7 -25,-2.7 -2,-0.3 2,-0.5 -0.862 49.1-156.4 -80.4 118.6 -16.1 36.5 30.9 59 83 A V E +Bc 27 33A 0 -32,-3.4 -32,-2.1 -2,-0.7 2,-0.4 -0.876 18.5 179.3-108.9 130.3 -16.2 39.8 29.2 60 84 A I E -Bc 26 34A 0 -27,-2.4 -25,-2.7 -2,-0.5 -34,-0.2 -0.997 6.5-175.0-128.2 133.4 -18.9 40.9 26.6 61 85 A A E -B 25 0A 0 -36,-2.2 -36,-1.5 -2,-0.4 -25,-0.1 -0.902 13.9-167.1-128.1 101.5 -19.0 44.3 24.9 62 86 A P E -B 24 0A 1 0, 0.0 -25,-0.6 0, 0.0 2,-0.5 -0.481 22.9-119.4 -84.6 156.1 -22.1 44.8 22.7 63 87 A D - 0 0 0 -40,-2.7 -40,-0.3 -2,-0.1 3,-0.1 -0.823 39.3-110.2 -86.8 133.0 -22.7 47.4 20.1 64 88 A L > - 0 0 0 -2,-0.5 3,-2.5 1,-0.1 6,-0.4 -0.323 50.9 -77.9 -59.0 145.5 -25.8 49.5 21.1 65 89 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.210 120.9 11.3 -48.7 128.4 -28.8 48.9 18.7 66 90 A G T 3 S+ 0 0 0 4,-0.6 144,-0.2 5,-0.6 2,-0.2 0.069 114.4 94.3 90.0 -23.7 -28.3 50.8 15.5 67 91 A L S X S- 0 0 4 -3,-2.5 3,-2.5 4,-0.2 -1,-0.3 -0.605 88.4 -10.0-102.3 161.8 -24.6 51.6 16.4 68 92 A G T 3 S- 0 0 1 1,-0.3 136,-0.1 -2,-0.2 -26,-0.0 -0.299 130.9 -28.2 52.2-128.2 -21.5 49.7 15.4 69 93 A Q T 3 S+ 0 0 30 2,-0.1 2,-0.3 -46,-0.0 -1,-0.3 0.125 110.5 112.1-105.8 20.6 -22.5 46.4 13.8 70 94 A S < - 0 0 2 -3,-2.5 -4,-0.6 -6,-0.4 -48,-0.2 -0.742 68.9-116.5 -96.1 141.0 -25.8 46.1 15.7 71 95 A E - 0 0 68 -50,-2.8 -5,-0.6 -2,-0.3 -4,-0.2 -0.364 40.3 -94.5 -67.7 151.0 -29.2 46.3 14.1 72 96 A P - 0 0 47 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.252 50.8 -92.1 -59.3 156.1 -31.5 49.2 15.1 73 97 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.391 23.9-149.1 -70.0 150.3 -34.1 48.4 17.8 74 98 A K S S+ 0 0 135 -56,-0.2 3,-0.1 2,-0.1 -55,-0.0 0.693 93.5 41.8 -92.5 -22.2 -37.5 47.2 16.7 75 99 A T S S- 0 0 90 1,-0.3 2,-0.3 6,-0.1 7,-0.1 0.952 117.7 -75.3 -85.5 -64.2 -39.4 48.7 19.7 76 100 A G - 0 0 14 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.973 31.7 -95.7 176.5-178.6 -37.8 52.2 20.2 77 101 A Y S S+ 0 0 32 -2,-0.3 140,-0.2 136,-0.2 144,-0.0 0.352 72.6 121.2-106.2 4.5 -34.8 54.1 21.5 78 102 A S S > S- 0 0 0 1,-0.1 4,-2.7 138,-0.1 5,-0.3 -0.330 75.6-111.3 -66.0 152.9 -36.0 55.0 25.0 79 103 A G H > S+ 0 0 1 138,-0.3 4,-2.4 1,-0.2 35,-0.2 0.883 117.3 49.9 -52.5 -43.7 -33.9 53.7 27.9 80 104 A E H > S+ 0 0 53 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.874 113.2 46.4 -67.3 -36.9 -36.5 51.3 29.0 81 105 A Q H >> S+ 0 0 55 -3,-0.3 4,-0.7 2,-0.2 3,-0.6 0.944 116.1 43.0 -69.4 -49.5 -37.0 49.8 25.5 82 106 A V H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.6 0.862 105.3 64.7 -65.8 -36.2 -33.3 49.5 24.7 83 107 A A H 3X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.807 93.0 63.2 -57.7 -31.2 -32.5 48.1 28.2 84 108 A V H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 3,-0.7 0.960 111.3 45.7 -57.7 -52.5 -28.4 39.5 25.8 90 114 A A H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.9 0.915 109.9 54.7 -56.8 -45.0 -26.5 39.4 29.1 91 115 A R H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 96.6 65.2 -67.8 -21.0 -28.8 36.8 30.5 92 116 A Q H << S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.899 112.7 34.8 -61.5 -39.4 -28.2 34.5 27.5 93 117 A F H << S+ 0 0 58 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.631 132.2 31.0 -91.5 -17.4 -24.6 34.3 28.8 94 118 A S < + 0 0 13 -4,-1.3 3,-0.3 -5,-0.2 -1,-0.2 -0.465 67.9 151.8-140.1 65.7 -25.4 34.4 32.5 95 119 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.732 78.4 31.3 -70.9 -24.3 -28.8 32.8 33.0 96 120 A D S S+ 0 0 124 2,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.351 115.3 51.4-122.4 3.1 -28.3 31.5 36.5 97 121 A R S S- 0 0 174 -3,-0.3 -1,-0.1 -6,-0.1 -65,-0.1 -0.984 83.3-105.7-137.3 151.0 -25.9 34.1 38.1 98 122 A P - 0 0 60 0, 0.0 -66,-0.3 0, 0.0 2,-0.3 -0.334 37.9-147.9 -66.2 158.8 -25.9 37.9 38.4 99 123 A F E - e 0 122A 1 22,-2.9 24,-2.2 -68,-0.1 25,-0.4 -0.822 11.8-109.4-125.7 165.4 -23.4 39.7 36.2 100 124 A D E -d 33 0A 9 -68,-2.9 -66,-2.5 -2,-0.3 2,-0.4 -0.642 27.9-151.6 -91.6 154.2 -21.4 42.9 36.5 101 125 A L E +de 34 125A 0 23,-2.2 25,-2.9 -2,-0.2 2,-0.4 -0.990 15.8 178.6-132.2 130.5 -22.2 46.1 34.4 102 126 A V E +de 35 126A 0 -68,-2.6 -66,-3.0 -2,-0.4 2,-0.3 -0.999 15.6 175.2-124.6 127.5 -19.9 48.8 33.2 103 127 A A E -de 36 127A 0 23,-2.5 25,-1.9 -2,-0.4 2,-0.4 -0.991 14.5-161.4-139.1 145.8 -21.5 51.6 31.1 104 128 A H E > - e 0 128A 0 -68,-2.4 3,-2.4 -2,-0.3 25,-0.2 -0.967 57.4 -34.6-128.0 135.0 -20.3 54.9 29.6 105 129 A D T >> S+ 0 0 17 23,-2.0 3,-2.4 -2,-0.4 4,-0.6 -0.258 134.2 3.5 60.6-130.5 -22.3 57.9 28.4 106 130 A I H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.614 117.7 80.7 -67.9 -7.8 -25.6 56.9 26.8 107 131 A G H <4 S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.813 91.3 54.2 -60.7 -28.7 -24.7 53.3 27.8 108 132 A I H X> S+ 0 0 0 -3,-2.4 4,-2.6 2,-0.2 3,-1.6 0.938 104.8 50.2 -67.9 -50.9 -26.0 54.5 31.1 109 133 A W H 3< S+ 0 0 6 -4,-0.6 -2,-0.2 1,-0.3 -1,-0.2 0.860 112.9 49.2 -51.2 -39.5 -29.4 55.7 29.7 110 134 A N T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 -24,-0.2 0.376 118.7 35.0 -91.4 3.5 -29.7 52.3 28.0 111 135 A T T X> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.1 3,-0.7 0.623 92.7 82.1-123.2 -30.0 -29.0 50.1 31.1 112 136 A Y H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.880 91.1 52.5 -50.4 -48.7 -30.4 51.9 34.1 113 137 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 110.7 46.7 -57.6 -39.7 -34.0 50.7 33.6 114 138 A M H <> S+ 0 0 4 -3,-0.7 4,-0.7 -35,-0.2 -2,-0.2 0.786 112.1 52.2 -74.7 -26.1 -32.9 47.0 33.4 115 139 A V H < S+ 0 0 0 -4,-1.9 3,-0.5 -3,-0.2 7,-0.2 0.948 113.3 42.0 -67.5 -51.0 -30.7 47.4 36.5 116 140 A V H < S+ 0 0 15 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.808 118.2 46.7 -69.3 -29.4 -33.5 49.0 38.6 117 141 A K H < S+ 0 0 97 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.611 124.7 31.3 -87.3 -13.1 -36.1 46.5 37.3 118 142 A N >< + 0 0 49 -4,-0.7 3,-2.1 -3,-0.5 4,-0.4 -0.308 68.2 154.9-139.5 52.0 -33.8 43.4 37.8 119 143 A Q G > S+ 0 0 37 -3,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.808 72.0 60.2 -55.8 -34.4 -31.6 44.3 40.8 120 144 A A G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.734 99.6 58.0 -66.6 -21.7 -30.9 40.6 41.6 121 145 A D G < S+ 0 0 23 -3,-2.1 -22,-2.9 -6,-0.2 2,-0.6 0.576 95.0 75.2 -83.2 -11.0 -29.3 40.1 38.2 122 146 A I E < +e 99 0A 5 -3,-1.4 -22,-0.2 -4,-0.4 3,-0.1 -0.894 51.2 176.9-111.9 110.2 -26.7 42.8 38.8 123 147 A A E S- 0 0 38 -24,-2.2 2,-0.3 -2,-0.6 -23,-0.2 0.976 72.1 -3.6 -73.2 -58.1 -23.8 42.0 41.1 124 148 A R E - 0 0 39 -25,-0.4 -23,-2.2 111,-0.1 2,-0.4 -0.960 66.4-150.6-140.0 158.0 -21.8 45.2 40.8 125 149 A L E -ef 101 237A 0 111,-2.0 113,-2.3 -2,-0.3 2,-0.4 -0.985 9.6-172.8-138.3 132.6 -22.2 48.4 38.7 126 150 A V E -ef 102 238A 0 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.4 -0.976 10.1-178.4-126.6 118.7 -19.9 51.0 37.3 127 151 A Y E -ef 103 239A 0 111,-2.4 113,-1.9 -2,-0.4 2,-0.4 -0.948 6.8-179.1-114.4 136.4 -21.3 54.1 35.7 128 152 A M E -ef 104 240A 0 -25,-1.9 -23,-2.0 -2,-0.4 113,-0.2 -0.992 47.0 -6.8-141.4 134.2 -19.1 56.8 34.0 129 153 A E S S+ 0 0 0 111,-1.7 -24,-0.1 -2,-0.4 -1,-0.1 0.906 96.8 72.5 61.5 59.3 -19.5 60.1 32.3 130 154 A A S S- 0 0 2 -26,-0.1 2,-0.2 -3,-0.1 -1,-0.0 -0.706 74.2-105.9 173.8 145.0 -23.2 60.9 31.7 131 155 A P - 0 0 5 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.532 34.8-116.6 -72.4 143.1 -26.3 61.9 33.7 132 156 A I - 0 0 3 -2,-0.2 2,-0.4 120,-0.1 5,-0.2 -0.667 51.7 -93.1 -67.7 133.6 -29.0 59.3 34.3 133 157 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.393 80.3 115.1 -58.8 111.1 -31.9 60.8 32.4 134 158 A D S > S- 0 0 13 -2,-0.4 3,-1.8 91,-0.1 4,-0.3 -0.898 82.8 -66.5-156.6-171.3 -34.0 62.9 34.9 135 159 A A G > S+ 0 0 65 1,-0.3 3,-1.6 -2,-0.3 4,-0.2 0.723 116.7 76.9 -58.7 -22.4 -35.0 66.5 35.6 136 160 A R G > S+ 0 0 98 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.815 82.1 66.5 -58.1 -31.9 -31.4 67.4 36.3 137 161 A I G X S+ 0 0 1 -3,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.717 90.7 63.8 -65.2 -19.7 -30.6 67.5 32.6 138 162 A Y G < S+ 0 0 46 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.508 96.1 60.2 -81.0 -2.9 -32.9 70.5 32.2 139 163 A R G < S+ 0 0 208 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.526 75.8 107.8-101.7 -9.0 -30.6 72.5 34.4 140 164 A F S < S- 0 0 26 -3,-0.6 296,-2.7 -4,-0.3 297,-0.4 -0.476 76.0-110.1 -67.0 141.3 -27.5 72.2 32.2 141 165 A P B -H 435 0B 44 0, 0.0 10,-0.4 0, 0.0 292,-0.1 -0.408 7.1-142.1 -77.6 149.1 -26.6 75.5 30.5 142 166 A A S S+ 0 0 0 292,-2.9 7,-0.6 289,-0.2 307,-0.4 0.723 89.0 9.9 -75.1 -22.9 -27.0 76.2 26.8 143 167 A F E S-I 148 0C 1 291,-0.4 2,-0.3 288,-0.2 -1,-0.2 -0.986 70.6-151.2-158.8 148.4 -23.8 78.3 26.8 144 168 A T E > -I 147 0C 29 3,-2.2 3,-1.3 -2,-0.3 369,-0.1 -0.847 35.0-106.0-129.1 164.9 -21.0 79.1 29.3 145 169 A A T 3 S+ 0 0 45 -2,-0.3 724,-0.1 1,-0.3 3,-0.1 0.646 123.2 49.3 -61.6 -13.7 -18.5 81.8 30.1 146 170 A Q T 3 S- 0 0 100 1,-0.3 2,-0.4 721,-0.1 -1,-0.3 0.598 121.3 -99.7 -99.2 -15.4 -15.9 79.6 28.5 147 171 A G E < S+I 144 0C 8 -3,-1.3 -3,-2.2 630,-0.0 -1,-0.3 -0.984 84.7 28.4 132.3-144.7 -17.8 78.9 25.3 148 172 A E E S-I 143 0C 30 -2,-0.4 -5,-0.2 301,-0.2 628,-0.1 -0.226 75.4-130.5 -58.5 138.4 -19.8 75.9 24.2 149 173 A S - 0 0 6 -7,-0.6 3,-0.3 297,-0.1 4,-0.2 -0.206 21.3-101.4 -84.4 177.5 -21.4 74.0 27.0 150 174 A L S S+ 0 0 55 1,-0.2 3,-0.2 2,-0.1 -8,-0.1 0.879 110.4 23.0 -69.2 -41.8 -21.4 70.2 27.7 151 175 A V S > S+ 0 0 8 -10,-0.4 3,-1.8 1,-0.2 4,-0.5 0.090 74.2 116.7-124.7 25.7 -24.8 69.2 26.5 152 176 A W T >> S+ 0 0 5 -3,-0.3 4,-1.4 1,-0.3 3,-0.9 0.805 73.6 71.5 -58.5 -26.0 -26.0 71.7 24.0 153 177 A H H 3> S+ 0 0 12 1,-0.3 4,-3.2 -3,-0.2 5,-0.3 0.708 78.9 75.2 -65.9 -20.0 -25.9 68.8 21.6 154 178 A F H <> S+ 0 0 5 -3,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.945 103.2 38.6 -51.2 -49.9 -28.9 67.3 23.4 155 179 A S H <> S+ 0 0 0 -3,-0.9 4,-1.3 281,-0.5 287,-0.3 0.909 114.9 52.9 -69.7 -45.3 -31.1 70.0 21.6 156 180 A F H < S+ 0 0 0 -4,-1.4 8,-0.5 1,-0.2 3,-0.4 0.940 115.6 40.4 -53.4 -50.8 -29.1 69.7 18.3 157 181 A F H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.1 49.9 -72.1 -32.0 -29.6 65.9 18.1 158 182 A A H < S+ 0 0 14 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.632 85.7 119.9 -81.4 -13.9 -33.2 66.0 19.4 159 183 A A < - 0 0 2 -4,-1.3 4,-0.4 -3,-0.4 3,-0.4 -0.122 63.4-114.8 -59.9 147.4 -34.3 68.7 16.9 160 184 A D S > S+ 0 0 123 1,-0.2 3,-1.6 2,-0.2 4,-0.1 0.030 90.8 50.6 -67.5 179.6 -37.1 68.0 14.3 161 185 A D T 3 S- 0 0 102 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.656 121.5 -83.5 65.9 17.1 -36.7 67.9 10.5 162 186 A R T 3> S+ 0 0 131 -3,-0.4 4,-2.4 -4,-0.1 -1,-0.3 0.905 75.9 167.1 49.1 43.2 -33.8 65.5 10.9 163 187 A L H <> + 0 0 0 -3,-1.6 4,-2.1 -4,-0.4 5,-0.2 0.924 67.0 46.7 -51.6 -52.6 -31.7 68.6 11.5 164 188 A A H > S+ 0 0 0 -8,-0.5 4,-2.4 -5,-0.3 5,-0.2 0.919 114.4 44.4 -62.8 -48.4 -28.6 66.8 12.8 165 189 A E H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 112.9 53.0 -60.9 -43.2 -28.5 64.1 10.1 166 190 A T H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.7 37.4 -63.4 -39.3 -29.1 66.6 7.3 167 191 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.833 122.9 41.9 -78.9 -34.8 -26.3 68.8 8.4 168 192 A I H >< S+ 0 0 0 -4,-2.4 3,-2.8 -5,-0.2 7,-0.2 0.740 82.1 110.0 -92.3 -24.3 -23.9 66.1 9.4 169 193 A A T 3< S+ 0 0 49 -4,-2.8 34,-0.0 1,-0.3 -4,-0.0 -0.290 92.2 13.9 -51.7 127.9 -24.3 63.6 6.6 170 194 A G T 3 S+ 0 0 67 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.319 123.3 66.6 85.3 -8.8 -21.2 63.6 4.5 171 195 A K <> + 0 0 48 -3,-2.8 4,-2.7 2,-0.1 5,-0.2 -0.049 59.9 121.5-129.1 29.0 -19.3 65.5 7.2 172 196 A E H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 74.3 50.0 -62.9 -43.0 -19.3 62.8 9.8 173 197 A R H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 113.3 46.3 -63.5 -45.3 -15.5 62.6 10.2 174 198 A F H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.941 115.3 46.1 -60.9 -49.3 -15.2 66.3 10.6 175 199 A F H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.908 110.6 51.6 -64.2 -43.4 -18.0 66.5 13.1 176 200 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.904 108.0 51.8 -64.7 -40.8 -16.9 63.6 15.2 177 201 A E H X S+ 0 0 38 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.936 114.0 44.3 -60.3 -44.5 -13.4 64.9 15.6 178 202 A H H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.944 115.4 47.5 -63.9 -47.3 -14.7 68.2 16.8 179 203 A F H X S+ 0 0 10 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.930 116.3 43.3 -59.7 -48.0 -17.3 66.6 19.1 180 204 A I H >< S+ 0 0 0 -4,-3.0 3,-0.9 -5,-0.2 93,-0.2 0.958 117.1 44.1 -65.5 -51.4 -14.8 64.2 20.6 181 205 A K H >< S+ 0 0 27 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.852 108.7 57.6 -65.8 -33.5 -11.9 66.7 21.1 182 206 A S H 3< S+ 0 0 16 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.732 110.5 45.4 -67.9 -20.7 -14.2 69.5 22.4 183 207 A H T << S+ 0 0 11 -3,-0.9 90,-2.8 -4,-0.8 91,-0.3 0.189 103.8 89.4-104.6 15.2 -15.2 67.0 25.2 184 208 A A < - 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0 0 6 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.972 29.5 -97.5 173.2 178.3 -13.8 92.8 15.3 371 101 B Y S S+ 0 0 10 -2,-0.3 140,-0.2 136,-0.2 144,-0.1 0.343 72.6 119.7-105.4 3.6 -17.3 91.4 16.0 372 102 B S S > S- 0 0 0 1,-0.1 4,-2.7 138,-0.1 3,-0.4 -0.342 76.6-110.8 -66.2 153.6 -17.6 92.3 19.7 373 103 B G H > S+ 0 0 0 138,-0.3 4,-2.5 1,-0.2 35,-0.2 0.892 117.1 50.9 -52.6 -44.3 -20.5 94.5 20.6 374 104 B E H > S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.856 113.2 45.4 -67.5 -33.8 -18.2 97.4 21.5 375 105 B Q H > S+ 0 0 40 -3,-0.4 4,-0.7 2,-0.2 3,-0.4 0.920 116.1 43.9 -73.7 -46.2 -16.3 97.2 18.2 376 106 B V H >X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 3,-0.7 0.881 105.4 63.0 -66.4 -38.7 -19.4 96.9 16.0 377 107 B A H 3X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.814 93.4 64.2 -58.3 -32.3 -21.3 99.6 17.8 378 108 B V H 3X S+ 0 0 31 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.3 0.922 102.2 48.7 -56.4 -45.4 -18.6 102.1 16.8 379 109 B Y H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-1.2 0.914 108.9 55.3 -58.3 -45.8 -25.9 107.5 12.5 385 115 B R H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 96.9 64.3 -60.4 -31.5 -23.9 110.6 13.3 386 116 B Q H 3< S+ 0 0 81 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.846 115.5 31.4 -59.3 -32.2 -23.2 111.1 9.6 387 117 B F H << S+ 0 0 46 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.614 131.4 32.4-104.1 -17.1 -26.9 111.7 9.2 388 118 B S >< + 0 0 10 -4,-1.7 3,-0.7 -5,-0.1 -1,-0.2 -0.416 67.2 145.5-137.3 62.6 -27.8 113.2 12.6 389 119 B P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.787 75.1 41.0 -68.8 -30.4 -24.8 115.3 13.7 390 120 B D T 3 S+ 0 0 154 -3,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.227 115.6 39.0-109.1 13.2 -26.6 118.1 15.4 391 121 B R S < S- 0 0 149 -3,-0.7 -65,-0.1 -6,-0.1 -1,-0.1 -0.987 84.6 -93.9-163.9 145.6 -29.4 116.2 17.2 392 122 B P - 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0 0 6 -7,-0.6 3,-0.4 -291,-0.1 4,-0.2 -0.228 21.6-102.7 -83.5 175.6 -34.2 74.9 23.8 444 174 B L S S+ 0 0 54 1,-0.2 3,-0.2 -9,-0.1 -8,-0.1 0.885 109.5 23.6 -66.5 -44.3 -34.3 78.5 22.7 445 175 B V S > S+ 0 0 9 -10,-0.4 3,-1.8 1,-0.2 4,-0.4 0.021 72.1 118.4-124.9 29.5 -30.5 79.3 22.6 446 176 B W T >> S+ 0 0 4 -3,-0.4 4,-1.5 1,-0.3 3,-1.1 0.785 73.4 72.9 -60.1 -23.9 -28.5 76.1 22.2 447 177 B H H 3> S+ 0 0 11 1,-0.3 4,-3.1 -3,-0.2 5,-0.3 0.694 77.5 74.9 -65.8 -19.4 -27.4 77.8 19.0 448 178 B F H <> S+ 0 0 7 -3,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.929 104.8 37.2 -54.2 -45.3 -25.3 80.1 21.1 449 179 B S H <> S+ 0 0 0 -3,-1.1 4,-1.5 -4,-0.4 -301,-0.2 0.901 115.6 52.9 -74.7 -43.8 -22.9 77.2 21.6 450 180 B F H < S+ 0 0 0 -4,-1.5 8,-0.4 1,-0.2 3,-0.3 0.935 115.8 40.3 -55.6 -48.9 -23.3 75.8 18.0 451 181 B F H < S+ 0 0 0 -4,-3.1 59,-0.2 1,-0.2 -1,-0.2 0.821 115.6 50.3 -72.9 -32.9 -22.4 79.2 16.5 452 182 B A H < S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.648 84.8 113.7 -82.8 -16.1 -19.6 80.0 19.0 453 183 B A < - 0 0 1 -4,-1.5 5,-0.3 -3,-0.3 4,-0.2 -0.164 63.2-129.0 -54.6 148.5 -17.9 76.7 18.5 454 184 B D S > S+ 0 0 4 1,-0.2 3,-1.7 2,-0.2 325,-0.1 0.006 83.5 68.0 -83.6-163.5 -14.4 76.8 16.9 455 185 B D T 3 S- 0 0 38 323,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.665 121.5 -85.8 62.9 16.2 -13.2 74.7 14.0 456 186 B R T 3> S+ 0 0 91 -3,-0.2 4,-2.4 -4,-0.1 -1,-0.3 0.909 76.9 167.1 45.7 45.1 -15.7 76.7 12.0 457 187 B L H <> + 0 0 0 -3,-1.7 4,-2.2 -4,-0.2 5,-0.2 0.927 67.1 44.7 -52.5 -52.9 -18.2 74.1 13.1 458 188 B A H > S+ 0 0 0 -8,-0.4 4,-2.4 -5,-0.3 5,-0.3 0.934 114.5 46.2 -62.1 -51.3 -21.3 76.1 12.1 459 189 B E H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 113.6 50.4 -58.0 -42.7 -20.0 77.2 8.6 460 190 B T H < S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.1 39.8 -67.2 -40.1 -18.8 73.7 7.8 461 191 B L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.824 121.4 42.7 -75.9 -32.7 -22.0 72.0 8.8 462 192 B I H >< S+ 0 0 0 -4,-2.4 3,-2.8 -5,-0.2 7,-0.2 0.753 83.9 107.3 -91.6 -26.6 -24.3 74.6 7.3 463 193 B A T 3< S+ 0 0 46 -4,-2.4 34,-0.0 1,-0.3 -4,-0.0 -0.303 91.2 17.7 -52.8 130.2 -22.5 75.3 4.0 464 194 B G T 3 S+ 0 0 62 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.317 125.4 61.9 86.4 -8.1 -24.5 73.8 1.1 465 195 B K <> + 0 0 74 -3,-2.8 4,-2.7 2,-0.1 5,-0.2 -0.048 60.9 125.3-135.1 29.2 -27.6 73.6 3.5 466 196 B E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 77.1 45.3 -63.1 -45.5 -28.0 77.3 4.2 467 197 B R H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 113.6 50.1 -61.6 -48.7 -31.7 77.4 3.1 468 198 B F H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.921 115.0 43.1 -57.4 -47.3 -32.5 74.2 4.9 469 199 B F H X S+ 0 0 2 -4,-2.7 4,-3.0 -7,-0.2 5,-0.2 0.930 112.6 50.9 -67.8 -45.9 -31.0 75.4 8.2 470 200 B L H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.901 109.2 52.0 -61.1 -40.7 -32.3 79.0 8.1 471 201 B E H X S+ 0 0 64 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.937 113.0 44.4 -60.7 -46.1 -35.9 77.7 7.5 472 202 B H H X S+ 0 0 9 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.926 114.8 48.9 -62.9 -44.7 -35.6 75.3 10.5 473 203 B F H X S+ 0 0 9 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.923 113.5 45.5 -62.9 -46.7 -34.0 78.0 12.7 474 204 B I H >< S+ 0 0 0 -4,-2.9 3,-1.0 -5,-0.2 93,-0.2 0.957 116.8 44.1 -61.3 -50.2 -36.6 80.7 11.8 475 205 B K H >< S+ 0 0 66 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.809 107.5 58.7 -70.6 -28.1 -39.6 78.3 12.3 476 206 B S H 3< S+ 0 0 23 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.694 113.4 40.4 -72.0 -17.3 -38.2 76.8 15.5 477 207 B H T << S+ 0 0 10 -3,-1.0 90,-2.8 -4,-0.8 91,-0.4 0.165 105.4 89.9-113.2 16.0 -38.2 80.4 16.9 478 208 B A < - 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0 0 6 -7,-0.6 3,-0.4 -291,-0.1 4,-0.2 -0.223 22.8-103.8 -82.0 175.9 17.8 65.7 24.1 1032 174 D L S S+ 0 0 55 1,-0.2 3,-0.2 -9,-0.1 -8,-0.1 0.866 109.2 24.3 -69.9 -40.0 17.9 62.1 23.0 1033 175 D V S > S+ 0 0 10 -10,-0.4 3,-1.6 1,-0.1 4,-0.5 0.029 71.5 118.1-126.4 30.4 14.2 61.3 22.9 1034 176 D W T >> S+ 0 0 3 -3,-0.4 4,-1.7 1,-0.3 3,-1.0 0.783 73.0 73.8 -61.6 -23.0 12.2 64.5 22.4 1035 177 D H H 3> S+ 0 0 12 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.725 78.1 73.4 -64.6 -22.3 11.1 62.8 19.2 1036 178 D F H <> S+ 0 0 7 -3,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.937 105.5 37.4 -51.9 -47.8 8.9 60.4 21.3 1037 179 D S H <> S+ 0 0 0 -3,-1.0 4,-1.3 -4,-0.5 -2,-0.2 0.910 115.8 52.6 -72.1 -45.1 6.6 63.4 21.8 1038 180 D F H < S+ 0 0 0 -4,-1.7 8,-0.4 1,-0.2 3,-0.3 0.929 116.2 40.0 -54.9 -48.6 7.0 64.8 18.2 1039 181 D F H < S+ 0 0 0 -4,-3.4 59,-0.2 1,-0.2 -1,-0.2 0.822 114.5 51.9 -74.3 -33.2 6.1 61.4 16.7 1040 182 D A H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.642 84.7 114.4 -79.2 -15.3 3.3 60.6 19.2 1041 183 D A < - 0 0 0 -4,-1.3 5,-0.3 -3,-0.3 4,-0.3 -0.184 62.6-129.5 -57.3 146.8 1.5 63.9 18.6 1042 184 D D S > S+ 0 0 4 1,-0.2 3,-1.6 2,-0.2 -851,-0.1 0.005 83.3 66.7 -82.1-164.9 -1.9 63.8 17.0 1043 185 D D T 3 S- 0 0 37 -853,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.688 121.7 -85.0 61.8 18.7 -3.1 65.9 14.0 1044 186 D R T 3> S+ 0 0 97 -3,-0.2 4,-2.6 -4,-0.1 -1,-0.3 0.900 76.8 167.1 45.8 44.3 -0.6 63.9 12.0 1045 187 D L H <> + 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 5,-0.2 0.933 67.6 42.7 -52.2 -54.8 1.9 66.5 13.2 1046 188 D A H > S+ 0 0 0 -8,-0.4 4,-2.6 -5,-0.3 5,-0.3 0.929 115.3 47.2 -63.6 -48.9 5.1 64.5 12.2 1047 189 D E H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 113.7 49.9 -57.6 -43.3 3.8 63.3 8.8 1048 190 D T H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.9 38.5 -66.5 -42.3 2.6 66.8 7.9 1049 191 D L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 121.0 44.0 -75.3 -36.3 5.8 68.6 8.8 1050 192 D I H >< S+ 0 0 0 -4,-2.6 3,-2.7 -5,-0.2 7,-0.2 0.761 84.4 106.9 -86.2 -26.9 8.2 66.0 7.5 1051 193 D A T 3< S+ 0 0 45 -4,-2.2 34,-0.0 -5,-0.3 -4,-0.0 -0.306 90.4 17.9 -54.5 130.2 6.4 65.2 4.2 1052 194 D G T 3 S+ 0 0 62 33,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.308 125.6 61.8 87.6 -7.3 8.4 66.7 1.3 1053 195 D K <> + 0 0 80 -3,-2.7 4,-2.6 2,-0.1 5,-0.2 -0.030 60.7 124.8-137.9 27.6 11.4 66.9 3.6 1054 196 D E H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 76.6 47.0 -62.0 -45.6 12.0 63.2 4.5 1055 197 D R H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 113.7 49.0 -61.4 -47.5 15.6 63.1 3.4 1056 198 D F H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.923 114.7 43.9 -59.1 -48.3 16.4 66.3 5.3 1057 199 D F H X S+ 0 0 2 -4,-2.6 4,-3.0 -7,-0.2 -2,-0.2 0.928 112.4 51.1 -66.1 -45.6 14.8 65.2 8.5 1058 200 D L H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.887 108.4 51.8 -63.6 -39.3 16.2 61.7 8.4 1059 201 D E H X S+ 0 0 52 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.930 113.2 45.2 -62.5 -42.8 19.8 62.9 7.9 1060 202 D H H X S+ 0 0 11 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.936 115.2 47.6 -63.9 -45.5 19.4 65.3 10.9 1061 203 D F H X S+ 0 0 9 -4,-3.0 4,-0.9 2,-0.2 -2,-0.2 0.935 114.9 44.7 -61.6 -49.6 17.8 62.5 13.0 1062 204 D I H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.945 116.4 45.4 -60.4 -48.7 20.4 59.9 12.2 1063 205 D K H >< S+ 0 0 56 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.825 107.7 57.3 -70.4 -29.1 23.3 62.3 12.7 1064 206 D S H 3< S+ 0 0 24 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.712 112.7 42.1 -72.4 -19.1 22.0 63.7 15.9 1065 207 D H T << S+ 0 0 10 -4,-0.9 90,-2.8 -3,-0.8 91,-0.4 0.194 103.6 90.9-109.5 14.0 21.9 60.2 17.3 1066 208 D A < - 0 0 3 -3,-1.0 3,-0.2 88,-0.2 87,-0.1 -0.820 50.1-169.3-111.2 148.6 25.3 59.2 15.9 1067 209 D S S S+ 0 0 41 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.793 94.1 39.3 -90.5 -46.4 28.8 59.3 17.2 1068 210 D N > + 0 0 68 1,-0.1 3,-0.7 59,-0.1 -1,-0.2 -0.835 62.4 170.4-109.7 95.9 30.3 58.5 13.8 1069 211 D T G > + 0 0 46 -2,-0.7 3,-1.6 1,-0.2 -1,-0.1 0.650 66.7 80.6 -77.5 -16.2 28.4 60.2 11.0 1070 212 D E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 90,-0.1 -2,-0.0 0.801 79.2 66.6 -61.9 -31.0 31.0 59.3 8.4 1071 213 D V G < S+ 0 0 51 -3,-0.7 2,-0.9 1,-0.2 -1,-0.3 0.590 87.3 78.7 -69.8 -10.6 29.5 55.8 8.1 1072 214 D F S < S- 0 0 5 -3,-1.6 -1,-0.2 -4,-0.1 -9,-0.0 -0.805 71.2-164.2-103.2 92.6 26.4 57.3 6.6 1073 215 D S > - 0 0 61 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.283 34.3-111.3 -64.8 157.9 27.1 58.2 3.0 1074 216 D E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.875 121.1 56.0 -56.7 -37.1 24.8 60.5 1.1 1075 217 D R H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 105.2 48.5 -62.3 -46.6 23.8 57.5 -0.9 1076 218 D L H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 111.0 51.1 -62.7 -42.3 22.8 55.4 2.1 1077 219 D L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.890 107.7 54.0 -61.2 -39.8 20.7 58.3 3.5 1078 220 D D H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 108.0 49.7 -59.7 -44.7 19.0 58.6 0.1 1079 221 D L H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.938 114.6 42.2 -62.1 -49.6 18.0 54.9 0.2 1080 222 D Y H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.912 113.9 52.7 -64.2 -42.9 16.5 55.0 3.7 1081 223 D A H X S+ 0 0 7 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.901 107.3 51.4 -60.8 -42.3 14.8 58.3 3.1 1082 224 D R H < S+ 0 0 122 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.853 109.9 50.5 -66.3 -33.5 13.1 57.0 -0.0 1083 225 D S H >< S+ 0 0 2 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.960 114.8 39.4 -68.2 -52.3 11.7 54.0 1.8 1084 226 D Y H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.607 102.7 73.7 -78.6 -7.6 10.2 55.8 4.8 1085 227 D A T 3< + 0 0 25 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.682 66.4 110.2 -77.0 -20.3 9.0 58.6 2.5 1086 228 D K S X> S- 0 0 49 -3,-1.1 4,-2.8 -4,-0.5 3,-1.0 -0.407 81.6-124.0 -51.1 126.8 6.3 56.3 1.1 1087 229 D P H 3> S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.867 109.8 46.1 -50.0 -46.3 3.1 57.8 2.6 1088 230 D H H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.796 115.5 48.5 -67.2 -26.5 2.0 54.6 4.3 1089 231 D S H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.836 107.8 52.4 -80.0 -36.4 5.5 54.1 5.6 1090 232 D L H X S+ 0 0 8 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.936 115.9 42.4 -62.9 -45.0 5.9 57.6 6.9 1091 233 D N H X S+ 0 0 23 -4,-2.1 4,-1.9 -5,-0.3 3,-0.4 0.931 112.1 52.5 -65.7 -47.8 2.6 57.2 8.8 1092 234 D A H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.913 103.2 60.8 -54.4 -44.7 3.4 53.6 10.0 1093 235 D S H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.903 111.3 37.7 -46.2 -49.5 6.7 55.0 11.4 1094 236 D F H >X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 3,-0.7 0.726 102.2 70.2 -84.5 -21.9 4.9 57.3 13.7 1095 237 D E H 3X S+ 0 0 11 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.823 91.4 63.1 -63.5 -29.8 2.1 55.0 14.6 1096 238 D Y H 3< S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.870 108.4 41.6 -59.8 -34.8 4.6 52.9 16.6 1097 239 D Y H X4 S+ 0 0 3 -3,-0.7 3,-1.2 -4,-0.4 4,-0.4 0.805 107.0 59.7 -83.6 -31.1 5.1 56.0 18.8 1098 240 D R H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.700 111.1 44.2 -68.3 -16.9 1.4 56.8 18.9 1099 241 D A T 3X S+ 0 0 10 -4,-1.1 4,-2.4 -5,-0.2 -138,-0.3 0.346 85.2 101.5-104.1 3.7 1.1 53.4 20.5 1100 242 D L H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 5,-0.1 0.898 81.0 47.8 -59.2 -46.8 4.1 53.7 22.8 1101 243 D N H > S+ 0 0 17 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.883 111.4 52.0 -62.7 -37.3 2.1 54.5 26.0 1102 244 D E H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 109.1 50.5 -62.9 -40.9 -0.2 51.5 25.2 1103 245 D S H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.898 107.4 53.6 -63.9 -40.4 2.9 49.4 24.8 1104 246 D V H X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.927 110.2 47.6 -57.4 -45.1 4.2 50.6 28.2 1105 247 D R H X S+ 0 0 60 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.889 111.8 49.9 -65.9 -39.3 0.8 49.6 29.8 1106 248 D Q H >X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.928 110.0 50.7 -60.8 -46.5 1.0 46.2 28.1 1107 249 D N H 3X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.758 96.7 68.4 -68.0 -25.7 4.6 45.6 29.3 1108 250 D A H 3< S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.1 36.2 -59.3 -37.1 3.6 46.5 32.9 1109 251 D E H X< S+ 0 0 45 -3,-0.8 3,-1.3 -4,-0.8 -2,-0.2 0.893 117.0 51.2 -81.1 -44.3 1.6 43.3 33.0 1110 252 D L H >< S+ 0 0 25 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.849 96.5 69.5 -61.9 -35.8 3.9 41.1 30.8 1111 253 D A T 3< S+ 0 0 37 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.473 73.6 86.5 -68.7 -0.1 7.0 42.0 32.9 1112 254 D K T < S+ 0 0 155 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.699 85.1 64.5 -70.3 -17.9 5.6 40.0 35.8 1113 255 D T S < S- 0 0 79 -3,-2.0 -1,-0.1 -4,-0.1 2,-0.1 -0.938 87.2-141.0-109.0 115.2 7.3 37.1 34.1 1114 256 D R - 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