==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 10-JUN-11 3SEN . COMPND 2 MOLECULE: CASKIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.STAFFORD,J.U.BOWIE . 554 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 4.3 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 5 5 11 6 0 0 2 2 2 2 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8 A K > 0 0 205 0, 0.0 4,-1.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -26.8 -13.8 34.9 1.6 2 9 A S H > + 0 0 61 2,-0.2 4,-1.7 1,-0.1 27,-0.3 0.967 360.0 41.1 -71.1 -57.1 -15.3 31.4 1.8 3 10 A S H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 112.5 58.9 -59.0 -37.5 -12.1 29.5 1.0 4 11 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 106.2 48.1 -51.2 -47.9 -10.3 32.0 3.3 5 12 A A H X S+ 0 0 35 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.801 110.3 50.3 -69.6 -32.4 -12.7 30.9 6.1 6 13 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.950 111.1 49.2 -69.2 -51.0 -12.0 27.2 5.5 7 14 A S H X S+ 0 0 42 -4,-2.7 4,-2.9 1,-0.2 3,-0.5 0.960 113.1 47.1 -46.4 -59.6 -8.3 27.7 5.6 8 15 A Q H X S+ 0 0 116 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.854 109.0 54.0 -56.4 -40.1 -8.5 29.7 8.8 9 16 A W H < S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.892 114.3 42.0 -61.2 -39.4 -10.7 27.2 10.4 10 17 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.6 -3,-0.5 3,-1.2 0.865 111.0 53.5 -78.0 -40.6 -8.2 24.4 9.7 11 18 A T H ><5S+ 0 0 71 -4,-2.9 3,-1.3 4,-0.2 -2,-0.2 0.807 97.1 69.7 -61.9 -30.7 -5.1 26.5 10.6 12 19 A A T 3<5S+ 0 0 85 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.667 112.8 28.1 -62.9 -20.8 -6.7 27.2 14.0 13 20 A F T < 5S- 0 0 23 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.015 118.6-103.7-130.9 28.5 -6.2 23.5 14.9 14 21 A Q T < 5S+ 0 0 160 -3,-1.3 -3,-0.2 1,-0.1 3,-0.2 0.614 91.4 108.9 72.5 18.8 -3.1 22.7 12.8 15 22 A L > < + 0 0 12 -5,-2.6 3,-2.1 1,-0.1 -4,-0.2 0.064 27.9 125.9-116.3 26.7 -4.8 20.8 9.9 16 23 A Q G > + 0 0 79 -6,-0.4 3,-1.7 1,-0.3 -5,-0.2 0.612 56.2 82.8 -55.6 -14.8 -4.4 23.4 7.1 17 24 A L G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.745 88.5 54.1 -65.4 -22.3 -2.7 20.7 5.0 18 25 A Y G X> S+ 0 0 15 -3,-2.1 4,-1.9 1,-0.2 3,-0.6 0.411 76.1 102.3 -88.6 -0.2 -6.2 19.5 4.1 19 26 A A H <> S+ 0 0 8 -3,-1.7 4,-3.2 1,-0.3 5,-0.3 0.912 81.2 52.0 -49.6 -46.6 -7.3 23.0 2.9 20 27 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.874 106.2 55.7 -56.1 -36.8 -6.8 21.8 -0.7 21 28 A N H <> S+ 0 0 43 -3,-0.6 4,-0.7 -4,-0.2 -2,-0.2 0.961 117.4 32.1 -62.7 -53.2 -9.0 18.8 -0.0 22 29 A F H ><>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 3,-0.7 0.957 121.9 48.6 -66.7 -52.1 -12.0 20.8 1.2 23 30 A I H ><5S+ 0 0 54 -4,-3.2 3,-2.4 -5,-0.3 -2,-0.2 0.928 109.0 49.5 -61.3 -48.4 -11.5 23.9 -1.0 24 31 A S H 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.691 108.8 54.9 -70.6 -16.5 -11.0 22.1 -4.4 25 32 A A T <<5S- 0 0 12 -3,-0.7 94,-2.1 -4,-0.7 95,-1.1 0.360 119.7-115.3 -87.0 0.7 -14.2 20.1 -3.6 26 33 A G T < 5 + 0 0 15 -3,-2.4 -3,-0.2 93,-0.2 2,-0.2 0.816 57.7 162.4 69.0 31.2 -15.9 23.4 -3.2 27 34 A Y < - 0 0 8 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.550 17.3-169.8 -76.9 146.9 -16.7 22.9 0.5 28 35 A D > - 0 0 25 -2,-0.2 4,-3.1 91,-0.1 3,-0.4 -0.944 39.2-100.1-132.4 157.1 -17.6 25.9 2.7 29 36 A L H > S+ 0 0 30 -2,-0.3 4,-2.6 -27,-0.3 5,-0.2 0.874 121.3 53.8 -48.2 -47.8 -17.9 26.0 6.5 30 37 A P H 4 S+ 0 0 35 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.944 115.3 39.5 -50.4 -52.1 -21.7 25.8 6.4 31 38 A T H >4 S+ 0 0 0 -3,-0.4 3,-1.8 1,-0.2 -2,-0.2 0.908 111.4 57.9 -65.8 -41.6 -21.6 22.7 4.2 32 39 A I H >< S+ 0 0 0 -4,-3.1 3,-2.6 1,-0.3 -1,-0.2 0.899 95.8 65.6 -52.5 -41.1 -18.6 21.3 6.2 33 40 A S T 3< S+ 0 0 32 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.681 103.9 45.8 -60.7 -19.4 -20.7 21.5 9.4 34 41 A R T < S+ 0 0 125 -3,-1.8 -1,-0.3 -4,-0.4 2,-0.3 0.123 84.5 132.2-108.3 20.0 -23.0 18.9 8.0 35 42 A M < - 0 0 18 -3,-2.6 -3,-0.0 4,-0.1 23,-0.0 -0.541 45.2-149.8 -73.2 132.3 -20.3 16.5 6.7 36 43 A T > - 0 0 50 -2,-0.3 4,-1.6 1,-0.1 -2,-0.0 -0.476 32.7-107.8 -81.6 168.2 -20.6 12.8 7.6 37 44 A P H > S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.832 121.6 62.2 -71.5 -28.4 -17.3 10.9 8.0 38 45 A E H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -3,-0.0 0.952 102.6 51.3 -54.1 -48.6 -18.0 9.2 4.7 39 46 A D H > S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 107.5 53.3 -52.1 -49.3 -17.9 12.7 3.2 40 47 A L H ><>S+ 0 0 2 -4,-1.6 5,-1.7 1,-0.2 3,-0.7 0.933 108.2 49.0 -51.8 -53.0 -14.6 13.2 4.9 41 48 A T H ><5S+ 0 0 64 -4,-2.7 3,-2.7 1,-0.2 -1,-0.2 0.927 104.2 61.6 -49.6 -48.2 -13.1 10.0 3.4 42 49 A A H 3<5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.4 47.8 -56.1 -34.9 -14.3 11.1 -0.0 43 50 A I T <<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.195 126.5 -97.6 -95.7 15.3 -12.2 14.2 -0.1 44 51 A G T < 5S+ 0 0 36 -3,-2.7 2,-1.2 1,-0.2 3,-0.2 0.453 79.7 134.2 95.1 2.1 -9.2 12.3 1.0 45 52 A V < + 0 0 0 -5,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.726 23.7 144.8 -83.6 96.5 -9.0 12.8 4.8 46 53 A T + 0 0 84 -2,-1.2 -1,-0.2 -3,-0.1 -5,-0.1 0.677 25.6 105.1-113.3 -24.5 -8.3 9.2 5.7 47 54 A K >> - 0 0 130 -3,-0.2 4,-2.7 1,-0.1 3,-0.8 -0.516 67.0-138.6 -66.0 117.6 -6.0 9.2 8.7 48 55 A P H 3> S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.803 98.8 53.2 -46.5 -45.3 -8.1 8.2 11.7 49 56 A G H 3> S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 113.4 41.9 -59.7 -43.9 -6.4 10.8 14.0 50 57 A H H <> S+ 0 0 57 -3,-0.8 4,-2.5 2,-0.2 5,-0.3 0.896 110.8 57.4 -74.5 -43.4 -7.1 13.7 11.7 51 58 A R H X S+ 0 0 53 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.921 109.2 46.7 -40.3 -53.5 -10.6 12.5 10.9 52 59 A K H X S+ 0 0 150 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.871 109.4 50.3 -70.7 -40.3 -11.4 12.6 14.6 53 60 A K H X S+ 0 0 103 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.958 117.2 42.8 -60.1 -48.4 -10.0 16.0 15.3 54 61 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 112.2 53.0 -63.1 -46.1 -12.0 17.4 12.4 55 62 A A H X S+ 0 0 45 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.915 112.8 45.1 -56.0 -45.5 -15.0 15.4 13.3 56 63 A A H X S+ 0 0 55 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.919 114.2 48.1 -63.4 -46.6 -14.9 16.9 16.8 57 64 A E H X S+ 0 0 64 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.797 107.2 58.4 -64.9 -30.5 -14.3 20.4 15.4 58 65 A I H >< S+ 0 0 16 -4,-2.7 3,-1.1 2,-0.2 -2,-0.2 0.949 108.1 43.4 -63.1 -51.4 -17.2 19.9 13.0 59 66 A S H 3< S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.2 61.7 -63.4 -28.6 -19.6 19.3 15.8 60 67 A G H 3< S+ 0 0 58 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.713 83.3 103.1 -66.6 -23.9 -17.9 22.2 17.5 61 68 A L << - 0 0 35 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.0 -0.373 47.2-177.5 -62.7 137.6 -19.0 24.5 14.7 62 69 A S + 0 0 122 -2,-0.1 -3,-0.0 2,-0.0 -2,-0.0 -0.864 18.0 157.2-137.3 100.1 -21.9 26.8 15.4 63 70 A I - 0 0 54 -2,-0.3 3,-0.1 -33,-0.1 -2,-0.0 -0.980 45.1 -85.2-134.1 143.0 -22.8 28.8 12.3 64 71 A P - 0 0 109 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.039 51.8 -90.5 -54.7 146.6 -26.0 30.6 11.3 65 72 A D + 0 0 151 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.209 46.1 169.7 -54.4 139.9 -28.9 28.7 9.5 66 73 A W + 0 0 49 -3,-0.1 -1,-0.1 -36,-0.1 3,-0.0 0.450 41.2 99.6-135.3 -10.3 -28.5 28.9 5.7 67 74 A L S S- 0 0 26 1,-0.1 2,-0.3 15,-0.0 15,-0.0 -0.674 83.0-106.1 -83.3 135.7 -31.1 26.5 4.3 68 75 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.477 19.3-153.9 -65.9 127.3 -34.3 28.2 3.1 69 76 A E S S+ 0 0 104 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.419 80.9 48.9 -76.7 0.9 -37.1 27.6 5.5 70 77 A H S S- 0 0 150 0, 0.0 61,-0.1 0, 0.0 60,-0.0 -0.994 92.7-105.5-142.2 146.7 -39.5 28.2 2.6 71 78 A K - 0 0 113 -2,-0.3 -2,-0.1 60,-0.1 2,-0.0 -0.586 47.2-129.7 -72.0 122.6 -39.8 26.9 -1.0 72 79 A P - 0 0 17 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 -0.263 14.5-109.4 -81.2 166.5 -38.7 29.8 -3.2 73 80 A A S S- 0 0 97 1,-0.1 2,-0.3 2,-0.0 26,-0.1 0.741 91.4 -7.2 -64.0 -28.1 -40.4 31.2 -6.2 74 81 A N S > S- 0 0 69 24,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.985 73.2 -92.9-165.2 169.2 -37.9 29.9 -8.7 75 82 A L H > S+ 0 0 2 22,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.800 117.5 57.1 -61.5 -34.1 -34.6 28.1 -9.3 76 83 A A H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 108.1 45.1 -65.4 -52.6 -32.6 31.4 -9.6 77 84 A V H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.938 115.9 49.1 -50.8 -50.7 -33.7 32.6 -6.1 78 85 A W H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.891 111.5 45.6 -59.4 -49.9 -33.0 29.2 -4.7 79 86 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 6,-0.3 0.900 113.9 51.6 -64.0 -39.5 -29.5 28.7 -6.2 80 87 A S H ><5S+ 0 0 34 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.922 105.6 55.1 -59.6 -47.3 -28.7 32.3 -5.1 81 88 A M H 3<5S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.778 114.9 38.7 -60.0 -31.5 -29.8 31.6 -1.5 82 89 A I T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.207 115.5-112.4-107.2 14.5 -27.5 28.7 -1.2 83 90 A G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.907 87.2 107.9 60.2 47.6 -24.6 30.2 -3.1 84 91 A L > < + 0 0 2 -5,-2.7 3,-1.2 -6,-0.1 -4,-0.2 -0.218 26.7 131.7-140.8 44.1 -24.6 28.0 -6.1 85 92 A A G > + 0 0 19 -6,-0.3 3,-2.1 1,-0.2 4,-0.3 0.724 57.9 78.6 -70.5 -20.1 -26.0 30.4 -8.8 86 93 A Q G 3 S+ 0 0 24 1,-0.3 4,-0.3 -7,-0.1 -1,-0.2 0.588 88.3 59.9 -65.7 -7.6 -23.1 29.5 -11.2 87 94 A Y G <> S+ 0 0 16 -3,-1.2 4,-2.4 1,-0.1 5,-0.3 0.300 71.7 104.4 -99.9 7.5 -25.1 26.3 -12.0 88 95 A Y H <> S+ 0 0 68 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.941 85.0 40.2 -52.9 -53.3 -28.2 28.1 -13.2 89 96 A K H > S+ 0 0 64 373,-0.3 4,-3.6 -4,-0.3 5,-0.3 0.959 114.4 49.7 -63.5 -54.7 -27.5 27.4 -16.9 90 97 A V H > S+ 0 0 10 -4,-0.3 4,-1.2 371,-0.3 6,-0.2 0.895 115.3 45.3 -56.5 -41.4 -26.3 23.8 -16.6 91 98 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 -1,-0.2 0.935 116.9 44.1 -65.1 -47.7 -29.3 22.9 -14.5 92 99 A V H ><5S+ 0 0 38 -4,-2.4 3,-1.7 -5,-0.3 5,-0.4 0.934 113.0 50.8 -63.1 -47.9 -31.8 24.7 -16.8 93 100 A D H 3<5S+ 0 0 75 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.7 53.4 -64.1 -24.8 -30.2 23.3 -20.0 94 101 A N T 3<5S- 0 0 42 -4,-1.2 98,-3.0 -5,-0.3 -1,-0.3 0.117 126.5 -96.3 -98.6 20.7 -30.4 19.8 -18.6 95 102 A G T < 5S+ 0 0 0 -3,-1.7 3,-0.3 97,-0.2 -3,-0.2 0.557 96.1 112.8 83.6 9.7 -34.1 20.0 -17.8 96 103 A Y < + 0 0 0 -5,-3.0 -4,-0.2 -6,-0.2 -3,-0.1 -0.221 33.2 130.3-102.6 43.0 -33.9 20.9 -14.1 97 104 A E + 0 0 68 -5,-0.4 -22,-0.5 -6,-0.1 2,-0.3 0.669 61.2 51.6 -76.8 -20.6 -35.3 24.4 -14.7 98 105 A N S > S- 0 0 39 -3,-0.3 4,-1.0 -24,-0.1 3,-0.4 -0.835 85.2-117.6-117.2 162.0 -38.0 24.2 -12.0 99 106 A I H >> S+ 0 0 7 -2,-0.3 4,-1.7 1,-0.2 3,-0.6 0.878 107.5 61.0 -64.0 -42.1 -37.7 23.4 -8.3 100 107 A D H 3> S+ 0 0 60 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.852 101.8 53.3 -57.1 -39.7 -40.0 20.3 -8.3 101 108 A F H >4 S+ 0 0 7 -3,-0.4 3,-0.6 1,-0.2 -1,-0.3 0.846 105.8 54.5 -64.4 -35.8 -37.7 18.5 -10.8 102 109 A I H X< S+ 0 0 0 -4,-1.0 3,-3.7 -3,-0.6 -2,-0.2 0.917 93.7 69.0 -62.8 -43.1 -34.7 19.2 -8.5 103 110 A T H 3< S+ 0 0 27 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 99.1 50.7 -55.0 -25.1 -36.4 17.5 -5.5 104 111 A D T << S+ 0 0 73 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.594 90.9 121.2 -79.2 -12.2 -36.2 14.1 -7.2 105 112 A I < - 0 0 6 -3,-3.7 2,-0.3 -4,-0.2 -3,-0.1 -0.066 39.3-173.7 -69.0 153.2 -32.4 14.7 -7.8 106 113 A T >> - 0 0 46 1,-0.0 4,-1.4 22,-0.0 3,-0.6 -0.863 41.9 -99.9-135.0 169.7 -29.6 12.5 -6.6 107 114 A W H 3> S+ 0 0 138 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.833 121.0 60.5 -65.1 -30.7 -25.8 12.8 -6.7 108 115 A E H 3> S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.899 104.3 50.6 -59.7 -39.9 -25.7 10.4 -9.7 109 116 A D H <> S+ 0 0 18 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.848 109.0 50.3 -66.3 -37.2 -27.8 12.9 -11.6 110 117 A L H X>S+ 0 0 0 -4,-1.4 5,-1.1 1,-0.2 4,-0.5 0.886 107.9 53.0 -70.5 -39.4 -25.4 15.8 -10.7 111 118 A Q H ><5S+ 0 0 86 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.869 104.6 57.7 -60.7 -38.2 -22.4 13.8 -11.9 112 119 A E 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129 A K H X S+ 0 0 24 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.945 114.9 43.1 -51.8 -53.8 -23.3 17.9 -0.7 123 130 A K H X S+ 0 0 21 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.946 116.0 48.0 -58.6 -50.3 -24.7 21.5 -0.4 124 131 A L H X S+ 0 0 1 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.923 114.4 47.0 -56.0 -46.4 -27.0 21.0 -3.4 125 132 A M H X S+ 0 0 23 -4,-4.0 4,-2.0 -5,-0.2 -2,-0.2 0.855 109.6 53.6 -64.7 -38.8 -28.2 17.6 -1.9 126 133 A L H X S+ 0 0 6 -4,-3.0 4,-1.5 -5,-0.3 -1,-0.2 0.897 109.0 49.4 -60.5 -41.8 -28.7 19.2 1.6 127 134 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.860 108.4 53.4 -67.1 -37.7 -30.9 21.9 -0.0 128 135 A V H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.895 106.3 51.7 -65.8 -43.5 -32.9 19.3 -1.9 129 136 A R H X S+ 0 0 111 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.866 105.4 56.4 -59.2 -37.9 -33.7 17.3 1.3 130 137 A K H X S+ 0 0 36 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.864 108.4 47.0 -66.3 -36.9 -34.9 20.5 3.0 131 138 A L H X S+ 0 0 8 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.942 109.9 53.2 -64.2 -49.6 -37.4 21.0 0.2 132 139 A A H X S+ 0 0 24 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.865 111.3 47.2 -51.1 -40.5 -38.4 17.4 0.5 133 140 A E H X S+ 0 0 123 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.882 109.3 53.4 -68.8 -41.2 -39.0 18.0 4.3 134 141 A L H < S+ 0 0 37 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.826 106.8 53.3 -64.9 -33.8 -40.9 21.2 3.6 135 142 A Q H >X S+ 0 0 82 -4,-2.4 3,-3.1 1,-0.2 4,-1.1 0.986 106.8 49.1 -61.0 -59.9 -43.3 19.3 1.2 136 143 A K H 3X S+ 0 0 144 -4,-1.6 4,-1.7 1,-0.3 -1,-0.2 0.760 100.9 67.0 -54.1 -27.7 -44.2 16.6 3.7 137 144 A A H 3< S+ 0 0 45 -4,-1.3 -1,-0.3 1,-0.2 4,-0.3 0.663 101.4 49.1 -66.0 -19.1 -44.9 19.4 6.2 138 145 A E H X> S+ 0 0 89 -3,-3.1 4,-3.6 -4,-0.3 3,-0.8 0.858 107.0 52.1 -82.9 -42.6 -47.8 20.3 3.9 139 146 A Y H 3< S+ 0 0 153 -4,-1.1 -2,-0.2 3,-0.3 -3,-0.1 0.820 99.0 63.7 -69.0 -32.9 -49.3 16.8 3.6 140 147 A A T 3< S+ 0 0 94 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.830 117.7 31.2 -54.1 -34.2 -49.4 16.4 7.4 141 148 A K T <4 0 0 153 -3,-0.8 -2,-0.3 -4,-0.3 -1,-0.2 0.866 360.0 360.0 -85.0 -46.5 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B W H 3X S+ 0 0 29 -4,-2.4 4,-0.5 1,-0.3 -2,-0.2 0.835 110.2 48.6 -41.5 -43.8 -51.0 13.0 -19.0 153 17 B L H 3<>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.2 6,-0.4 0.721 108.9 51.1 -77.9 -25.7 -48.1 15.3 -20.0 154 18 B T H X<5S+ 0 0 66 -3,-1.3 3,-1.9 -4,-1.0 -2,-0.2 0.872 96.5 71.8 -71.8 -38.5 -49.9 18.5 -18.8 155 19 B A H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.718 115.7 22.9 -50.0 -30.7 -50.5 16.7 -15.4 156 20 B F T 3<5S- 0 0 10 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.078 118.6-110.4-124.6 19.2 -46.8 17.1 -14.7 157 21 B Q T < 5S+ 0 0 116 -3,-1.9 -3,-0.2 1,-0.1 3,-0.1 0.710 84.7 116.7 73.0 29.3 -46.3 20.0 -17.0 158 22 B L > < + 0 0 1 -5,-3.2 3,-1.6 -6,-0.1 -4,-0.2 -0.193 27.0 130.5-116.0 37.6 -44.2 18.5 -19.8 159 23 B Q G > + 0 0 84 -6,-0.4 3,-0.7 1,-0.3 -5,-0.2 0.485 53.5 82.3 -67.8 -5.3 -46.9 18.9 -22.5 160 24 B L G 3 S+ 0 0 100 1,-0.2 -1,-0.3 -7,-0.2 4,-0.2 0.693 89.8 52.9 -72.1 -18.9 -44.2 20.5 -24.7 161 25 B Y G <> S+ 0 0 15 -3,-1.6 4,-1.8 1,-0.2 3,-0.5 0.452 76.8 101.8 -93.0 -3.8 -43.2 16.9 -25.7 162 26 B A H <> S+ 0 0 7 -3,-0.7 4,-3.1 1,-0.3 5,-0.3 0.864 82.1 50.9 -48.1 -43.7 -46.7 15.9 -26.7 163 27 B P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.900 104.2 58.2 -60.8 -40.1 -45.8 16.3 -30.4 164 28 B N H > S+ 0 0 47 -3,-0.5 4,-0.6 -4,-0.2 -2,-0.2 0.912 117.1 33.2 -55.4 -45.8 -42.7 14.1 -29.8 165 29 B F H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 3,-0.4 0.959 120.4 47.5 -72.2 -55.8 -45.0 11.3 -28.6 166 30 B I H ><5S+ 0 0 61 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.905 111.6 48.3 -61.0 -47.8 -48.1 11.8 -30.7 167 31 B S H 3<5S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.785 109.4 55.9 -64.8 -26.4 -46.3 12.2 -34.1 168 32 B A T 3<5S- 0 0 10 -4,-0.6 94,-1.7 -5,-0.4 95,-0.9 0.421 118.4-118.7 -78.5 0.0 -44.4 9.1 -33.1 169 33 B G T < 5 + 0 0 19 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.851 57.5 160.2 64.2 35.0 -47.8 7.4 -32.8 170 34 B Y < - 0 0 8 -5,-2.1 2,-0.3 92,-0.1 -1,-0.2 -0.678 17.7-173.2 -86.9 142.6 -47.2 6.6 -29.1 171 35 B D > - 0 0 15 -2,-0.3 4,-3.4 91,-0.1 5,-0.3 -0.876 41.0 -96.2-128.9 166.7 -50.2 5.9 -26.8 172 36 B L H > S+ 0 0 32 -27,-0.4 4,-2.5 -2,-0.3 5,-0.1 0.881 121.5 52.6 -53.4 -46.2 -50.4 5.4 -23.0 173 37 B P H 4 S+ 0 0 34 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.944 117.2 38.0 -54.1 -50.0 -50.2 1.6 -23.2 174 38 B T H >4 S+ 0 0 0 1,-0.2 3,-1.4 -3,-0.2 -2,-0.2 0.857 112.9 57.3 -70.9 -36.9 -47.1 1.7 -25.4 175 39 B I H >< S+ 0 0 0 -4,-3.4 3,-2.3 1,-0.2 -1,-0.2 0.895 96.4 66.0 -56.7 -40.0 -45.6 4.6 -23.5 176 40 B S T 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.606 103.4 45.0 -62.8 -14.4 -45.9 2.6 -20.3 177 41 B R T < S+ 0 0 128 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.3 0.130 85.1 130.2-115.2 19.8 -43.3 0.1 -21.6 178 42 B M < - 0 0 15 -3,-2.3 -3,-0.0 4,-0.0 23,-0.0 -0.561 47.1-147.8 -73.3 132.6 -40.8 2.7 -22.9 179 43 B T >> - 0 0 60 -2,-0.3 4,-1.2 1,-0.1 3,-0.9 -0.602 31.8-108.8 -86.2 160.6 -37.1 2.4 -21.9 180 44 B P H 3> S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.731 121.6 63.8 -69.1 -17.0 -35.3 5.7 -21.6 181 45 B E H 3> S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 -3,-0.0 0.877 100.9 51.9 -64.1 -38.7 -33.4 4.8 -24.8 182 46 B D H <> S+ 0 0 30 -3,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.821 106.6 54.2 -64.9 -33.9 -36.9 5.0 -26.4 183 47 B L H ><>S+ 0 0 1 -4,-1.2 5,-2.0 2,-0.2 3,-1.3 0.958 107.2 48.2 -65.2 -51.7 -37.3 8.5 -24.9 184 48 B T H ><5S+ 0 0 66 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.908 104.6 64.3 -50.1 -41.6 -34.0 9.7 -26.4 185 49 B A H 3<5S+ 0 0 53 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.789 105.4 41.9 -56.1 -32.4 -35.3 8.2 -29.6 186 50 B I T <<5S- 0 0 15 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.150 128.2 -94.6-104.8 18.1 -38.2 10.7 -29.7 187 51 B G T < 5S+ 0 0 34 -3,-2.3 2,-1.0 1,-0.2 3,-0.2 0.753 80.3 135.6 81.0 26.2 -36.1 13.7 -28.7 188 52 B V < + 0 0 0 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.784 24.1 142.6 -96.7 84.1 -36.6 13.8 -24.9 189 53 B T + 0 0 81 -2,-1.0 -1,-0.2 -5,-0.1 -5,-0.1 0.806 28.8 101.0 -98.1 -37.0 -32.8 14.3 -24.3 190 54 B K >> - 0 0 80 -3,-0.2 4,-2.4 1,-0.1 3,-1.0 -0.380 69.3-141.2 -55.6 114.9 -32.7 16.7 -21.3 191 55 B P H 3> S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 -96,-0.2 0.801 95.5 56.7 -51.7 -40.8 -32.0 14.4 -18.3 192 56 B G H 3> S+ 0 0 2 -98,-3.0 4,-1.4 2,-0.2 -97,-0.2 0.850 113.2 40.0 -62.0 -37.5 -34.2 16.2 -15.9 193 57 B H H <> S+ 0 0 2 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.890 114.1 52.1 -78.5 -45.2 -37.3 15.7 -18.1 194 58 B R H X S+ 0 0 47 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.904 110.0 52.5 -52.4 -44.3 -36.3 12.2 -19.1 195 59 B K H X S+ 0 0 55 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.908 111.2 44.1 -58.2 -48.7 -36.0 11.5 -15.4 196 60 B K H X S+ 0 0 31 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.926 114.4 49.4 -67.5 -45.3 -39.5 12.8 -14.5 197 61 B I H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.929 110.2 50.3 -60.0 -47.1 -41.1 11.1 -17.5 198 62 B A H X S+ 0 0 41 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.863 111.7 49.6 -60.4 -36.6 -39.5 7.8 -16.6 199 63 B A H X S+ 0 0 48 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.891 113.7 44.7 -65.8 -42.8 -40.8 8.3 -13.0 200 64 B E H X S+ 0 0 62 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.837 109.8 56.3 -70.9 -34.8 -44.3 9.0 -14.3 201 65 B I H >< S+ 0 0 16 -4,-3.2 3,-0.7 1,-0.2 -2,-0.2 0.906 107.5 47.8 -60.1 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135 B V H X S+ 0 0 5 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.950 105.5 52.5 -63.1 -51.0 -44.0 -9.8 -31.1 272 136 B R H X S+ 0 0 108 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.844 106.6 54.6 -55.9 -36.2 -42.0 -10.5 -27.9 273 137 B K H X S+ 0 0 36 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.941 110.3 45.5 -61.9 -47.9 -45.3 -11.6 -26.2 274 138 B L H X S+ 0 0 5 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.902 112.1 52.4 -59.3 -43.0 -45.9 -14.1 -29.0 275 139 B A H X S+ 0 0 19 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.890 108.8 50.2 -58.9 -42.0 -42.2 -15.1 -28.7 276 140 B E H X S+ 0 0 118 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.863 106.9 55.2 -63.8 -38.3 -42.7 -15.7 -24.9 277 141 B L H X S+ 0 0 41 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.852 104.5 53.7 -65.7 -36.5 -45.8 -17.8 -25.6 278 142 B Q H >X S+ 0 0 73 -4,-1.7 3,-1.8 1,-0.2 4,-0.6 0.979 109.2 46.0 -60.0 -58.1 -43.9 -20.2 -27.9 279 143 B K H 3< S+ 0 0 159 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.695 100.8 71.2 -60.9 -20.5 -41.2 -21.0 -25.4 280 144 B A H 3< S+ 0 0 72 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.801 92.8 56.5 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D V H ><5S+ 0 0 35 -4,-2.6 3,-2.8 1,-0.2 5,-0.3 0.952 111.3 52.9 -59.0 -52.9 -34.9 53.0 -13.1 513 100 D D T 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.715 108.6 52.9 -59.5 -23.0 -38.5 51.6 -13.3 514 101 D N T < 5S- 0 0 93 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.190 130.2 -92.5 -98.1 15.5 -37.4 49.0 -10.7 515 102 D G T < 5S+ 0 0 38 -3,-2.8 2,-0.4 1,-0.1 3,-0.2 0.590 94.4 117.1 91.3 11.9 -36.2 51.6 -8.3 516 103 D Y < + 0 0 35 -5,-2.6 -4,-0.1 1,-0.2 -3,-0.1 -0.459 31.1 131.9-101.9 56.6 -32.5 51.8 -9.2 517 104 D E + 0 0 102 -2,-0.4 -22,-0.2 -5,-0.3 -1,-0.2 0.975 56.8 58.3 -74.4 -57.0 -32.7 55.4 -10.3 518 105 D N S S- 0 0 71 -3,-0.2 4,-0.4 1,-0.1 3,-0.2 -0.254 85.2-124.2 -66.3 158.3 -29.6 56.8 -8.5 519 106 D I S > S+ 0 0 10 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.804 110.2 62.7 -70.5 -29.8 -26.2 55.4 -9.2 520 107 D D G > S+ 0 0 67 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.741 90.7 64.0 -72.3 -26.0 -25.9 54.7 -5.4 521 108 D F G 3 S+ 0 0 98 -3,-0.2 3,-0.4 1,-0.2 -1,-0.3 0.762 100.8 55.0 -63.7 -25.4 -28.8 52.3 -5.4 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