==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-SEP-10 3OWL . COMPND 2 MOLECULE: CSNK2A1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-B.REISER,R.PRUDENT,C.COCHET . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 0.3 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 4 1 0 0 0 0 2 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A S 0 0 175 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 -0.1 -25.6 29.9 2 3 A G + 0 0 48 1,-0.1 2,-0.2 2,-0.0 260,-0.0 0.999 360.0 52.8 -76.4 -81.0 -1.3 -22.0 30.5 3 4 A P S S- 0 0 82 0, 0.0 258,-0.2 0, 0.0 259,-0.1 -0.411 78.4-118.0 -74.4 136.4 -1.0 -19.4 27.7 4 5 A V - 0 0 54 256,-1.6 -2,-0.0 -2,-0.2 2,-0.0 -0.434 35.3-115.5 -62.5 135.6 -2.4 -20.1 24.2 5 6 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.259 30.2-158.7 -72.2 164.5 0.3 -20.1 21.4 6 7 A S - 0 0 3 202,-0.1 178,-0.6 201,-0.0 2,-0.3 -0.972 9.2-165.1-146.3 156.6 0.5 -17.6 18.6 7 8 A R - 0 0 114 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.993 33.7-101.1-142.1 143.0 2.0 -17.2 15.0 8 9 A A - 0 0 4 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.308 26.4-140.2 -52.5 144.7 2.6 -14.3 12.7 9 10 A R S S+ 0 0 175 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.606 84.6 38.6 -88.2 -13.6 -0.1 -14.2 10.0 10 11 A V S S+ 0 0 54 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.937 118.6 12.7-134.2 155.3 2.4 -13.3 7.3 11 12 A Y S > S+ 0 0 67 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.797 78.6 152.6 50.3 35.7 6.0 -14.3 6.5 12 13 A T T 3 + 0 0 33 1,-0.2 3,-0.4 2,-0.1 4,-0.2 0.957 69.0 26.5 -63.1 -56.0 5.6 -17.1 9.1 13 14 A D T 3> S+ 0 0 83 1,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.158 83.3 120.1 -97.5 13.3 8.0 -19.8 7.8 14 15 A V H <> S+ 0 0 35 -3,-0.7 4,-0.5 1,-0.2 3,-0.5 0.876 81.1 38.9 -47.6 -49.1 10.4 -17.4 6.1 15 16 A N H >4 S+ 0 0 0 166,-0.4 3,-0.9 -3,-0.4 -1,-0.2 0.857 105.4 64.8 -72.0 -34.5 13.4 -18.4 8.3 16 17 A T H 34 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.690 106.1 45.3 -66.6 -20.6 12.7 -22.1 8.4 17 18 A H H 3< S+ 0 0 156 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.602 96.8 92.6 -95.4 -18.7 13.2 -22.5 4.6 18 19 A R S << S- 0 0 94 -3,-0.9 5,-0.1 -4,-0.5 -3,-0.0 -0.300 92.7 -83.3 -74.1 157.2 16.5 -20.4 4.6 19 20 A P >> - 0 0 74 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.365 42.9-113.2 -56.8 142.8 20.0 -21.8 4.8 20 21 A R H >> S+ 0 0 151 1,-0.3 4,-2.2 2,-0.2 3,-0.8 0.830 115.2 59.1 -46.1 -38.8 21.0 -22.4 8.5 21 22 A E H 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.671 91.2 69.5 -71.8 -19.3 23.7 -19.7 8.2 22 23 A Y H <4 S+ 0 0 22 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.892 119.2 16.4 -61.9 -41.2 21.2 -17.0 7.3 23 24 A W H << S+ 0 0 58 -3,-0.8 2,-1.9 -4,-0.7 -2,-0.2 0.622 102.4 90.6-111.2 -19.1 19.7 -17.0 10.8 24 25 A D >< + 0 0 22 -4,-2.2 3,-0.9 -5,-0.2 4,-0.2 -0.579 49.2 167.6 -79.3 80.6 22.3 -18.8 12.9 25 26 A Y G > + 0 0 17 -2,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.767 64.0 71.0 -71.5 -27.4 24.2 -15.6 13.8 26 27 A E G 3 S+ 0 0 114 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.799 100.3 48.2 -55.5 -31.8 26.3 -17.3 16.5 27 28 A S G < S+ 0 0 80 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.492 83.2 121.9 -90.2 -6.1 28.2 -19.1 13.7 28 29 A H < - 0 0 32 -3,-1.3 2,-0.7 -4,-0.2 54,-0.0 -0.367 56.3-142.0 -64.0 130.6 28.9 -16.0 11.6 29 30 A V - 0 0 126 -2,-0.1 2,-0.2 49,-0.0 -1,-0.1 -0.858 21.2-130.8 -97.8 114.9 32.5 -15.2 10.8 30 31 A V - 0 0 19 -2,-0.7 2,-0.7 1,-0.1 48,-0.0 -0.430 8.7-143.3 -73.4 130.4 33.1 -11.4 10.9 31 32 A E - 0 0 158 -2,-0.2 2,-0.4 69,-0.0 68,-0.2 -0.860 20.5-149.4 -94.4 114.1 35.0 -9.9 8.0 32 33 A W - 0 0 106 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.680 10.1-163.4 -91.2 134.2 37.2 -7.0 9.4 33 34 A G - 0 0 23 66,-3.0 2,-0.7 -2,-0.4 68,-0.3 -0.044 40.9 -70.1 -90.4-157.7 38.1 -3.9 7.4 34 35 A N > - 0 0 98 1,-0.1 3,-2.4 66,-0.1 4,-0.3 -0.868 30.2-159.9-109.9 107.6 40.9 -1.4 8.1 35 36 A Q G > S+ 0 0 78 -2,-0.7 3,-2.0 1,-0.3 -1,-0.1 0.813 89.4 67.5 -52.4 -35.2 40.4 0.8 11.1 36 37 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.620 84.1 73.5 -64.2 -14.0 42.9 3.4 9.8 37 38 A D G < S+ 0 0 40 -3,-2.4 21,-3.5 21,-0.1 22,-0.4 0.761 94.5 65.8 -63.3 -25.8 40.5 4.2 7.0 38 39 A Y E < -A 57 0A 29 -3,-2.0 2,-0.4 -4,-0.3 19,-0.2 -0.809 58.6-170.1-115.3 139.9 38.4 6.1 9.5 39 40 A Q E -A 56 0A 106 17,-1.8 17,-1.2 -2,-0.4 2,-0.1 -0.947 23.3-130.7-129.4 116.3 38.8 9.2 11.6 40 41 A L E +A 55 0A 73 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.341 30.7 168.1 -61.5 134.2 36.5 10.2 14.5 41 42 A V E + 0 0 83 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.778 59.6 5.1-115.8 -45.5 35.4 13.9 14.2 42 43 A R E -A 54 0A 144 12,-1.8 12,-2.8 0, 0.0 2,-0.5 -0.996 66.1-122.2-150.9 134.1 32.5 14.6 16.6 43 44 A K E -A 53 0A 117 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.753 26.3-179.4 -83.7 124.7 30.7 12.5 19.3 44 45 A L E - 0 0 86 8,-2.0 2,-0.3 -2,-0.5 9,-0.2 0.736 54.3 -34.0 -96.4 -27.0 27.0 12.3 18.5 45 46 A G E -A 52 0A 29 7,-1.7 7,-3.4 2,-0.0 2,-0.5 -0.934 41.0-120.7 175.0 159.4 25.6 10.2 21.3 46 47 A R E -A 51 0A 186 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.985 28.8-168.8-117.9 119.2 26.0 7.4 23.9 47 48 A G - 0 0 40 3,-2.0 -2,-0.0 -2,-0.5 5,-0.0 -0.158 41.6 -93.3 -85.6-167.8 23.5 4.6 23.8 48 49 A K S S+ 0 0 144 1,-0.1 -1,-0.0 -2,-0.1 3,-0.0 0.860 124.6 20.4 -76.4 -38.4 23.0 1.9 26.4 49 50 A Y S S+ 0 0 92 23,-0.0 21,-2.7 22,-0.0 2,-0.3 0.422 127.8 28.5-109.6 -3.0 25.3 -0.6 24.7 50 51 A S E - B 0 69A 14 19,-0.2 -3,-2.0 20,-0.0 2,-0.4 -0.897 59.6-125.3-152.7 172.6 27.4 1.8 22.5 51 52 A E E -AB 46 68A 39 17,-1.9 17,-3.2 -2,-0.3 2,-0.4 -0.997 27.9-151.4-130.6 136.2 29.0 5.1 21.7 52 53 A V E -AB 45 67A 35 -7,-3.4 -8,-2.0 -2,-0.4 -7,-1.7 -0.905 13.9-178.4-120.6 134.9 28.3 6.8 18.4 53 54 A F E -AB 43 66A 27 13,-2.7 13,-2.9 -2,-0.4 2,-0.4 -0.974 28.9-128.5-133.1 139.7 30.5 9.2 16.4 54 55 A E E +AB 42 65A 20 -12,-2.8 -13,-2.8 -2,-0.4 -12,-1.8 -0.760 45.6 166.8 -76.6 135.6 30.4 11.2 13.3 55 56 A A E -AB 40 64A 1 9,-2.7 9,-2.5 -2,-0.4 2,-0.4 -0.743 31.9-123.2-137.4-176.2 33.6 10.3 11.3 56 57 A I E -AB 39 63A 36 -17,-1.2 -17,-1.8 7,-0.3 2,-0.6 -0.996 18.7-130.0-138.6 129.6 35.1 10.7 7.9 57 58 A N E > -A 38 0A 15 5,-3.1 4,-1.5 -2,-0.4 3,-0.5 -0.744 16.2-161.1 -79.4 120.5 36.4 7.9 5.6 58 59 A I T 4 S+ 0 0 93 -21,-3.5 -1,-0.1 -2,-0.6 -20,-0.1 0.694 83.1 63.3 -79.2 -20.3 39.9 9.0 4.6 59 60 A T T 4 S+ 0 0 99 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.702 126.1 11.7 -77.0 -24.3 40.0 6.6 1.5 60 61 A N T 4 S- 0 0 87 -3,-0.5 -2,-0.2 -23,-0.2 -1,-0.2 0.384 98.0-123.6-131.3 -4.2 37.1 8.4 -0.3 61 62 A N < + 0 0 123 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.600 61.9 142.7 69.0 17.5 36.8 11.5 1.8 62 63 A E - 0 0 128 -5,-0.4 -5,-3.1 1,-0.1 -1,-0.2 -0.649 56.1-105.1 -96.1 144.5 33.1 10.8 2.6 63 64 A K E +B 56 0A 122 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.284 45.2 179.0 -63.0 150.5 31.3 11.5 5.9 64 65 A V E -BC 55 113A 9 -9,-2.5 -9,-2.7 49,-0.2 2,-0.4 -0.917 26.9-128.9-148.9 163.5 30.5 8.4 8.0 65 66 A V E -BC 54 112A 25 47,-1.9 47,-3.6 -2,-0.3 2,-0.5 -0.991 20.8-163.3-125.8 127.7 28.9 7.2 11.3 66 67 A V E -BC 53 111A 5 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.6 -0.933 4.9-165.5-116.1 123.5 30.8 4.9 13.6 67 68 A K E -BC 52 110A 16 43,-2.8 43,-2.2 -2,-0.5 2,-0.6 -0.929 8.6-159.2-110.4 111.6 29.1 3.0 16.4 68 69 A I E -BC 51 109A 8 -17,-3.2 -17,-1.9 -2,-0.6 41,-0.2 -0.803 16.2-137.4 -96.3 117.5 31.6 1.6 19.0 69 70 A L E -B 50 0A 7 39,-2.1 -19,-0.2 -2,-0.6 38,-0.1 -0.378 8.5-149.6 -79.1 149.8 30.2 -1.3 21.0 70 71 A K - 0 0 82 -21,-2.7 2,-0.4 -2,-0.1 3,-0.3 -0.715 24.8-147.8-114.0 77.6 30.5 -2.0 24.7 71 72 A P + 0 0 41 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.277 54.4 123.3 -61.0 104.3 30.4 -5.8 24.9 72 73 A V S S+ 0 0 128 -2,-0.4 2,-0.5 1,-0.1 3,-0.1 0.485 86.2 37.8-123.5 -32.0 28.8 -7.0 28.1 73 74 A K S > S- 0 0 102 -3,-0.3 3,-1.1 1,-0.1 4,-0.3 -0.780 80.6-176.6-113.2 84.1 26.1 -9.1 26.5 74 75 A K T >> + 0 0 155 -2,-0.5 3,-0.9 1,-0.2 4,-0.7 0.567 66.1 73.1 -65.6 -15.4 28.3 -10.3 23.6 75 76 A K H 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.888 87.8 62.4 -66.0 -41.7 25.6 -12.3 21.7 76 77 A K H <> S+ 0 0 29 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.628 93.4 68.5 -56.0 -19.7 23.9 -9.1 20.4 77 78 A I H <> S+ 0 0 27 -3,-0.9 4,-1.9 -4,-0.3 -1,-0.2 0.993 105.2 35.1 -68.2 -60.7 27.1 -8.3 18.6 78 79 A K H X S+ 0 0 68 -4,-0.7 4,-2.0 -3,-0.3 -2,-0.2 0.831 117.0 57.9 -62.3 -32.7 27.0 -11.2 16.0 79 80 A R H X S+ 0 0 8 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.935 108.1 43.3 -61.6 -50.4 23.2 -10.8 15.9 80 81 A E H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.870 114.2 50.2 -65.4 -42.5 23.2 -7.0 14.9 81 82 A I H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.932 111.9 47.0 -62.7 -47.6 26.0 -7.5 12.3 82 83 A K H X S+ 0 0 23 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.847 111.7 52.1 -63.3 -33.8 24.3 -10.4 10.6 83 84 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.941 111.3 45.0 -70.5 -47.1 21.0 -8.6 10.5 84 85 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 12,-0.3 0.816 113.7 51.0 -64.5 -37.2 22.4 -5.4 8.9 85 86 A E H < S+ 0 0 45 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.938 111.7 47.4 -65.4 -46.4 24.3 -7.6 6.4 86 87 A N H < S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.822 117.6 42.3 -60.4 -33.6 21.2 -9.5 5.5 87 88 A L H >< S+ 0 0 0 -4,-1.7 3,-2.1 -5,-0.1 -1,-0.2 0.576 82.7 127.1 -95.1 -10.9 19.1 -6.3 5.1 88 89 A R T 3< S+ 0 0 108 -4,-1.0 7,-0.1 -3,-0.4 6,-0.1 -0.190 73.5 23.6 -53.7 131.4 21.8 -4.3 3.2 89 90 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.084 92.3 129.7 97.6 -21.4 20.4 -2.8 -0.1 90 91 A G S X S- 0 0 10 -3,-2.1 3,-1.4 1,-0.1 -1,-0.3 -0.204 72.2 -79.3 -64.5 156.7 16.8 -2.9 1.1 91 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.377 107.5 -9.5 -67.2 126.0 14.6 0.2 0.9 92 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.6 -2,-0.2 2,-0.6 0.707 96.1 133.6 60.5 23.8 15.1 2.8 3.6 93 94 A I B < -e 172 0B 3 -3,-1.4 -4,-0.3 78,-0.2 -1,-0.2 -0.921 65.4-109.7 -98.7 123.9 17.4 0.5 5.7 94 95 A I - 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0 0 92 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.885 49.8-138.2-146.2 107.8 0.8 14.9 21.5 229 230 A E S S+ 0 0 102 -2,-0.3 2,-0.1 1,-0.2 -9,-0.0 -0.950 90.4 12.9-122.2 114.0 4.2 13.6 22.3 230 231 A P S S- 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.708 76.9-158.5 -80.9 167.3 4.1 10.9 23.5 231 232 A F S S+ 0 0 10 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.939 91.1 38.5 -72.2 -47.2 0.5 9.8 22.8 232 233 A F S S- 0 0 4 -37,-0.3 2,-1.1 -4,-0.1 -1,-0.3 -0.895 81.9-169.2-104.7 102.5 0.5 7.1 25.6 233 234 A H - 0 0 94 -2,-0.7 2,-0.2 -3,-0.2 -38,-0.0 -0.575 8.4-178.4-105.2 72.6 2.4 8.9 28.4 234 235 A G - 0 0 1 -2,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.442 31.8-147.3 -76.6 139.0 3.1 6.3 31.2 235 236 A H S S- 0 0 141 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.775 86.7 -18.5 -63.6 -33.3 4.9 7.0 34.5 236 237 A D S > S- 0 0 73 -42,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.910 88.9 -71.2-159.2-176.5 6.3 3.5 34.2 237 238 A N H > S+ 0 0 54 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.800 128.1 45.8 -57.7 -30.5 5.7 0.1 32.5 238 239 A Y H >> S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.942 114.5 44.8 -82.4 -48.6 2.5 -0.6 34.6 239 240 A D H 3> S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.731 102.7 68.8 -62.3 -29.7 0.9 2.8 34.2 240 241 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.924 102.0 45.4 -53.3 -46.7 1.9 2.7 30.5 241 242 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 3,-1.5 0.935 108.8 54.3 -70.7 -45.1 -3.5 2.6 26.9 245 246 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.804 98.6 61.9 -58.9 -33.3 -6.6 1.3 28.7 246 247 A K H 3< S+ 0 0 101 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.685 116.7 32.0 -67.6 -15.7 -8.0 4.9 29.2 247 248 A V H <4 S+ 0 0 15 -3,-1.5 31,-3.4 -4,-0.4 -2,-0.2 0.832 129.2 32.9-102.8 -51.5 -8.1 5.3 25.4 248 249 A L H < S- 0 0 1 -4,-2.6 4,-0.3 29,-0.2 29,-0.3 0.513 109.9-119.2 -89.7 -7.7 -8.9 1.7 24.1 249 250 A G X - 0 0 2 -4,-1.8 4,-0.6 27,-0.5 27,-0.2 0.244 10.0-104.0 85.6 152.2 -11.0 0.6 27.1 250 251 A T H > S+ 0 0 6 25,-2.3 4,-2.7 2,-0.2 5,-0.2 0.711 110.3 65.4 -84.0 -25.8 -10.6 -2.2 29.6 251 252 A E H > S+ 0 0 158 24,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.953 105.2 44.5 -65.1 -47.6 -13.3 -4.6 28.2 252 253 A D H > S+ 0 0 63 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.815 111.0 56.1 -61.9 -31.9 -11.2 -5.1 25.0 253 254 A L H X S+ 0 0 0 -4,-0.6 4,-2.3 2,-0.2 5,-0.3 0.966 108.7 45.9 -62.2 -51.2 -8.1 -5.5 27.2 254 255 A Y H X S+ 0 0 95 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.857 110.1 54.6 -59.8 -36.3 -9.8 -8.3 29.1 255 256 A D H X S+ 0 0 95 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.935 108.8 49.2 -60.7 -48.9 -10.9 -9.9 25.9 256 257 A Y H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.953 114.6 42.2 -52.4 -59.0 -7.3 -9.8 24.6 257 258 A I H <>S+ 0 0 7 -4,-2.3 5,-2.6 1,-0.2 4,-0.2 0.839 114.4 53.3 -62.3 -33.5 -5.8 -11.5 27.7 258 259 A D H ><5S+ 0 0 97 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.934 105.1 53.9 -66.2 -46.8 -8.8 -13.9 27.8 259 260 A K H 3<5S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.854 115.3 40.2 -51.2 -40.1 -8.2 -15.0 24.2 260 261 A Y T 3<5S- 0 0 2 -4,-1.6 -256,-1.6 -5,-0.2 -1,-0.3 0.350 108.4-122.7 -97.4 7.2 -4.6 -15.9 25.0 261 262 A N T < 5 + 0 0 105 -3,-1.4 2,-0.3 -258,-0.2 -3,-0.2 0.876 60.1 153.5 53.8 41.4 -5.3 -17.4 28.5 262 263 A I < - 0 0 27 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.2 -0.672 39.5-138.4 -98.4 153.5 -2.9 -14.9 30.1 263 264 A E - 0 0 176 -2,-0.3 2,-0.1 -60,-0.2 -5,-0.0 -0.953 15.3-131.4-114.5 121.6 -3.0 -13.6 33.6 264 265 A L - 0 0 17 -2,-0.5 -61,-0.1 1,-0.1 5,-0.1 -0.475 38.6 -96.3 -62.5 136.8 -2.4 -9.9 34.4 265 266 A D > - 0 0 57 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.345 35.3-123.5 -41.2 127.9 0.1 -9.3 37.1 266 267 A P G > S+ 0 0 93 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.622 104.8 82.0 -63.2 -14.6 -2.1 -8.8 40.2 267 268 A R G > S+ 0 0 126 1,-0.2 3,-0.7 2,-0.1 4,-0.1 0.802 83.4 63.9 -55.2 -28.1 -0.5 -5.4 40.8 268 269 A F G X> S+ 0 0 3 -3,-2.1 4,-2.1 1,-0.2 3,-1.3 0.655 79.1 85.7 -71.9 -17.2 -3.0 -4.2 38.1 269 270 A N G <4 S+ 0 0 117 -3,-1.5 4,-0.3 1,-0.3 -1,-0.2 0.806 97.0 34.5 -53.3 -40.3 -6.0 -5.0 40.4 270 271 A D G <4 S+ 0 0 157 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.290 125.8 37.4-102.6 7.7 -5.9 -1.7 42.2 271 272 A I T <4 S+ 0 0 81 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.557 96.8 69.2-133.2 -14.6 -4.8 0.6 39.4 272 273 A L < + 0 0 1 -4,-2.1 -3,-0.1 1,-0.1 -2,-0.1 0.908 69.7 172.2 -80.8 -43.5 -6.4 -0.5 36.1 273 274 A G - 0 0 54 -5,-0.3 2,-0.5 -4,-0.3 -1,-0.1 -0.148 42.8 -55.4 68.5-162.8 -10.1 0.5 36.8 274 275 A R + 0 0 236 -25,-0.0 2,-0.4 -24,-0.0 -1,-0.1 -0.981 60.3 166.1-122.1 120.2 -13.0 0.5 34.4 275 276 A H - 0 0 50 -2,-0.5 -25,-2.3 -30,-0.0 -24,-0.6 -0.996 26.3-137.1-139.2 137.2 -12.8 2.5 31.2 276 277 A S - 0 0 83 -2,-0.4 -27,-0.5 -27,-0.2 2,-0.3 -0.523 38.2 -92.7 -85.2 159.0 -14.7 2.6 27.9 277 278 A R - 0 0 79 -29,-0.3 2,-0.2 -2,-0.2 -29,-0.2 -0.592 43.8-136.0 -66.1 129.9 -13.2 2.8 24.5 278 279 A K - 0 0 35 -31,-3.4 2,-0.3 -2,-0.3 -1,-0.0 -0.611 13.6-117.0 -85.7 146.7 -12.9 6.5 23.4 279 280 A R > - 0 0 204 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.704 25.3-123.2 -79.1 140.5 -13.8 7.7 19.9 280 281 A W G > S+ 0 0 19 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.754 104.9 74.4 -59.1 -24.8 -10.7 9.1 18.1 281 282 A E G > S+ 0 0 123 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.710 80.3 73.3 -62.1 -20.7 -12.5 12.4 17.6 282 283 A R G < S+ 0 0 175 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.723 92.9 53.4 -67.8 -20.5 -12.0 13.2 21.3 283 284 A F G < S+ 0 0 38 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.431 90.0 101.3 -93.1 1.0 -8.3 13.9 20.6 284 285 A V < + 0 0 44 -3,-1.4 2,-0.3 -4,-0.2 -58,-0.1 -0.657 43.2 154.4 -85.5 136.1 -9.0 16.4 17.8 285 286 A H >> - 0 0 86 -2,-0.3 4,-1.6 -59,-0.0 3,-0.6 -0.883 58.1 -82.3-147.6-175.4 -8.8 20.2 18.4 286 287 A S T 34 S+ 0 0 80 -2,-0.3 4,-0.2 1,-0.2 -2,-0.0 0.695 122.6 54.2 -68.5 -20.1 -8.2 23.4 16.5 287 288 A E T 34 S+ 0 0 126 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.814 121.4 26.1 -83.2 -30.7 -4.4 23.0 16.7 288 289 A N T X4 S+ 0 0 0 -3,-0.6 3,-2.0 -62,-0.1 4,-0.5 0.451 89.7 101.0-110.7 -5.0 -4.2 19.5 15.1 289 290 A Q G >< S+ 0 0 124 -4,-1.6 3,-0.5 1,-0.3 -1,-0.1 0.711 76.1 61.6 -61.4 -22.5 -7.4 19.4 13.0 290 291 A H G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.1 0.707 103.6 51.3 -73.6 -20.3 -5.6 20.1 9.7 291 292 A L G < S+ 0 0 0 -3,-2.0 2,-0.4 -66,-0.3 -1,-0.2 0.504 99.1 83.3 -90.7 -7.1 -3.5 16.9 10.3 292 293 A V < + 0 0 29 -3,-0.5 3,-0.1 -4,-0.5 -163,-0.0 -0.786 48.5 158.4-105.8 140.7 -6.6 14.7 10.8 293 294 A S > - 0 0 16 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.951 55.0-101.0-143.7 163.6 -8.9 13.1 8.2 294 295 A P H > S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.922 125.8 49.5 -44.8 -49.5 -11.4 10.3 8.1 295 296 A E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 27,-0.3 0.876 107.4 53.7 -60.8 -41.7 -8.7 8.2 6.4 296 297 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 112.0 44.9 -60.9 -44.6 -6.1 9.1 9.1 297 298 A L H X S+ 0 0 14 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.913 112.8 48.9 -68.5 -45.3 -8.4 7.9 11.9 298 299 A D H X S+ 0 0 64 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.934 113.3 49.1 -58.5 -44.8 -9.4 4.7 10.2 299 300 A F H >X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 3,-0.7 0.966 113.3 45.9 -58.3 -53.3 -5.8 3.9 9.5 300 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-1.0 0.882 107.9 57.0 -54.0 -48.8 -4.7 4.7 13.1 301 302 A D H 3< S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 106.1 51.2 -54.8 -32.0 -7.6 2.6 14.5 302 303 A K H << S+ 0 0 74 -4,-1.4 10,-1.5 -3,-0.7 -1,-0.2 0.653 112.4 45.5 -85.7 -16.9 -6.4 -0.4 12.6 303 304 A L H << S+ 0 0 0 -3,-1.0 2,-1.6 -4,-0.9 -2,-0.2 0.840 103.7 63.3 -85.0 -44.3 -2.8 -0.1 13.9 304 305 A L S < S+ 0 0 0 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.500 71.2 134.7 -88.9 69.1 -3.6 0.5 17.6 305 306 A R - 0 0 61 -2,-1.6 6,-0.1 -3,-0.2 -3,-0.0 -0.913 55.2-137.5-112.6 143.6 -5.4 -2.8 18.5 306 307 A Y S S+ 0 0 6 -2,-0.4 2,-0.7 -58,-0.1 -106,-0.2 0.973 90.9 74.4 -58.1 -57.4 -4.7 -4.9 21.6 307 308 A D S >> S- 0 0 22 1,-0.2 3,-2.0 -55,-0.1 4,-0.6 -0.441 72.5-155.6 -65.1 105.9 -4.7 -8.2 19.8 308 309 A H G >4 S+ 0 0 2 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.852 92.6 60.2 -52.4 -33.1 -1.4 -8.3 17.9 309 310 A Q G 34 S+ 0 0 41 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.694 101.0 53.8 -66.7 -23.9 -3.0 -10.7 15.4 310 311 A S G <4 S+ 0 0 63 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.487 85.3 107.0 -88.2 -10.3 -5.8 -8.1 14.4 311 312 A R S << S- 0 0 10 -3,-0.9 -8,-0.2 -4,-0.6 2,-0.1 -0.402 81.3-100.0 -67.3 144.5 -3.3 -5.3 13.5 312 313 A L - 0 0 23 -10,-1.5 2,-0.1 -13,-0.2 -1,-0.1 -0.424 36.6-127.2 -54.3 139.3 -2.7 -4.4 9.9 313 314 A T > - 0 0 33 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.413 28.9-102.0 -76.5 166.0 0.5 -5.9 8.5 314 315 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -170,-0.1 0.888 122.9 48.0 -54.6 -47.2 3.0 -3.5 6.8 315 316 A R H > S+ 0 0 140 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.917 112.5 48.2 -65.5 -45.5 1.9 -4.5 3.3 316 317 A E H 4 S+ 0 0 102 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.828 107.8 57.0 -60.1 -33.8 -1.8 -4.1 4.1 317 318 A A H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.895 102.1 54.2 -67.8 -35.2 -1.0 -0.8 5.7 318 319 A M H 3< S+ 0 0 29 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.2 59.0 -69.2 -21.3 0.5 0.4 2.3 319 320 A E T 3< S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.486 82.5 118.5 -81.5 -6.0 -2.8 -0.5 0.7 320 321 A H S X S- 0 0 13 -3,-1.5 3,-2.2 -4,-0.2 4,-0.1 -0.299 74.0-123.6 -71.9 144.9 -4.8 1.9 2.9 321 322 A P G > S+ 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.756 105.0 78.6 -58.3 -24.9 -6.8 4.8 1.4 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.3 1,-0.3 4,-0.1 0.740 93.2 51.2 -47.9 -28.3 -4.7 7.2 3.6 323 324 A F G X S+ 0 0 2 -3,-2.2 3,-0.8 1,-0.2 -1,-0.3 0.421 80.8 94.8 -97.5 4.5 -1.9 6.8 1.1 324 325 A Y T < S+ 0 0 173 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.817 82.2 53.0 -66.3 -35.5 -3.9 7.6 -2.1 325 326 A T T 3 S+ 0 0 79 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.3 0.684 89.5 98.7 -73.5 -18.5 -3.0 11.3 -2.1 326 327 A V S < S- 0 0 6 -3,-0.8 2,-0.3 -4,-0.1 -195,-0.0 -0.589 73.4-132.2 -81.0 124.3 0.8 10.4 -1.9 327 328 A V - 0 0 101 -2,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.553 23.6-134.8 -72.7 131.7 2.7 10.4 -5.3 328 329 A K - 0 0 76 -2,-0.3 2,-0.7 2,-0.1 -1,-0.1 -0.599 27.0 -90.7 -94.5 152.2 4.8 7.3 -5.8 329 330 A D 0 0 93 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 -0.837 360.0 360.0-106.7 102.9 8.5 7.3 -7.0 330 331 A Q 0 0 217 -2,-0.7 -2,-0.1 0, 0.0 0, 0.0 0.339 360.0 360.0-111.7 360.0 8.1 7.0 -9.9