==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUN-07 2QC6 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.4 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 . 38 11.6 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 29.7 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 2 0 0 2 0 1 0 1 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 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 7 A S 0 0 45 0, 0.0 178,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.9 17.8 -10.9 -8.7 2 8 A K - 0 0 144 176,-0.1 2,-0.2 177,-0.1 202,-0.1 -0.916 360.0 -92.1-121.8 161.4 16.7 -7.2 -8.8 3 9 A A - 0 0 2 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.475 25.8-140.0 -62.2 140.4 14.5 -5.1 -6.5 4 10 A R S S+ 0 0 151 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.656 86.3 32.3 -79.3 -19.2 10.9 -5.1 -7.5 5 11 A V S S+ 0 0 55 1,-0.1 200,-0.2 2,-0.0 -2,-0.1 -0.943 119.1 12.6-134.1 156.7 10.6 -1.4 -6.6 6 12 A Y S > S+ 0 0 64 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.763 74.7 141.5 55.8 28.3 12.9 1.7 -6.7 7 13 A A T 3 + 0 0 23 1,-0.2 3,-0.2 -4,-0.2 4,-0.2 0.800 67.9 44.2 -75.8 -27.5 15.5 -0.2 -8.8 8 14 A D T 3> S+ 0 0 87 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.260 77.5 108.8 -98.5 7.3 16.5 2.7 -11.1 9 15 A V H <> S+ 0 0 16 -3,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.934 88.6 36.5 -52.5 -49.1 16.8 5.4 -8.4 10 16 A N H 4 S+ 0 0 1 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.812 112.5 59.4 -77.8 -29.9 20.6 5.5 -8.7 11 17 A V H 4 S+ 0 0 100 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.924 111.8 40.9 -57.0 -48.4 20.6 5.0 -12.5 12 18 A L H < S+ 0 0 127 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.687 103.2 83.7 -79.9 -19.1 18.5 8.1 -12.9 13 19 A R S < S- 0 0 78 -4,-1.1 5,-0.1 -5,-0.3 2,-0.0 -0.541 92.9 -93.1 -86.7 151.8 20.4 10.2 -10.3 14 20 A P >> - 0 0 90 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.351 39.2-112.6 -57.4 143.7 23.6 12.1 -11.0 15 21 A K H 3> S+ 0 0 127 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.739 114.4 68.8 -55.5 -26.6 26.7 10.0 -10.2 16 22 A E H 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.763 90.5 63.5 -60.2 -29.5 27.5 12.4 -7.3 17 23 A Y H <4 S+ 0 0 27 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.947 120.6 18.3 -61.3 -48.4 24.4 11.1 -5.5 18 24 A W H < S+ 0 0 66 -4,-0.6 2,-2.1 -3,-0.3 -2,-0.2 0.541 98.3 96.0-105.9 -12.1 25.8 7.6 -5.1 19 25 A D >< + 0 0 35 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.1 -0.520 43.0 163.2 -80.3 74.8 29.5 8.1 -5.7 20 26 A Y G > + 0 0 15 -2,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.661 65.1 67.1 -69.6 -17.2 30.4 8.3 -2.0 21 27 A E G 3 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.791 96.4 55.2 -73.4 -28.1 34.1 7.6 -2.7 22 28 A A G < S+ 0 0 69 -3,-0.8 2,-0.3 2,-0.1 -1,-0.2 0.248 81.9 120.3 -86.2 7.9 34.4 11.0 -4.5 23 29 A L < - 0 0 24 -3,-0.9 2,-0.5 1,-0.0 50,-0.1 -0.576 47.9-161.8 -73.0 134.4 33.1 12.8 -1.5 24 30 A T - 0 0 99 -2,-0.3 2,-0.1 49,-0.0 -2,-0.1 -0.985 24.1-127.6-115.3 116.4 35.4 15.4 0.0 25 31 A V - 0 0 22 -2,-0.5 2,-0.9 1,-0.1 48,-0.0 -0.369 6.0-144.0 -68.4 134.9 34.3 16.2 3.5 26 32 A Q - 0 0 156 -2,-0.1 68,-0.3 69,-0.0 2,-0.1 -0.822 27.2-146.5 -95.6 91.7 33.7 19.9 4.5 27 33 A W - 0 0 81 -2,-0.9 68,-0.2 1,-0.1 2,-0.0 -0.343 12.9-159.5 -66.4 130.8 34.9 19.7 8.1 28 34 A G - 0 0 25 66,-3.4 2,-0.7 -2,-0.1 68,-0.3 0.055 40.2 -56.9 -89.3-156.3 33.2 22.0 10.7 29 35 A E > - 0 0 117 1,-0.1 3,-2.0 66,-0.1 4,-0.3 -0.801 36.0-157.5-100.5 111.1 34.4 23.3 14.1 30 36 A Q G > S+ 0 0 73 -2,-0.7 3,-1.0 66,-0.3 -1,-0.1 0.798 92.3 52.7 -51.2 -38.2 35.3 20.6 16.6 31 37 A D G 3 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.415 84.5 83.5 -89.6 5.4 34.8 22.8 19.7 32 38 A D G < S+ 0 0 36 -3,-2.0 21,-3.2 1,-0.2 22,-0.5 0.742 95.2 52.5 -61.2 -25.0 31.3 23.9 18.6 33 39 A Y E < -A 52 0A 31 -3,-1.0 2,-0.4 -4,-0.3 19,-0.2 -0.962 68.4-167.6-130.6 121.0 30.3 20.6 20.3 34 40 A E E -A 51 0A 109 17,-2.6 17,-1.7 -2,-0.4 2,-0.2 -0.910 25.1-119.6-114.4 132.1 31.1 19.3 23.8 35 41 A V E +A 50 0A 75 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.436 32.6 170.1 -63.8 130.4 30.6 15.8 25.2 36 42 A V E - 0 0 86 13,-3.2 2,-0.3 1,-0.3 14,-0.2 0.759 63.2 -12.0-105.3 -49.4 28.2 15.8 28.2 37 43 A R E -A 49 0A 135 12,-1.6 12,-4.1 0, 0.0 -1,-0.3 -0.979 65.3-109.0-159.2 138.7 27.5 12.0 28.8 38 44 A K E +A 48 0A 96 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.452 33.9 170.1 -68.4 139.9 28.1 8.7 27.0 39 45 A V E - 0 0 66 8,-3.7 2,-0.3 1,-0.4 9,-0.2 0.553 57.8 -10.7-126.0 -17.8 24.9 7.1 25.8 40 46 A G E -A 47 0A 27 7,-1.9 7,-3.0 2,-0.0 -1,-0.4 -0.988 50.0-169.1-171.6 169.0 26.0 4.2 23.6 41 47 A R E +A 46 0A 181 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.978 8.3 167.2-161.9 159.8 28.8 2.4 21.9 42 48 A G - 0 0 28 3,-2.6 3,-0.4 -2,-0.3 -2,-0.0 -0.874 57.1 -64.3-156.4-166.5 29.4 -0.4 19.4 43 49 A K S S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.781 130.4 29.5 -56.3 -29.0 32.1 -2.0 17.2 44 50 A Y S S+ 0 0 100 1,-0.1 21,-2.1 20,-0.1 2,-0.3 0.450 121.6 10.6-120.2 -3.4 32.4 1.2 15.2 45 51 A S E - B 0 64A 8 -3,-0.4 -3,-2.6 19,-0.3 2,-0.3 -0.985 50.9-132.9-161.9 165.2 31.6 4.2 17.3 46 52 A E E -AB 41 63A 68 17,-2.2 17,-3.1 -2,-0.3 2,-0.4 -0.981 26.8-151.2-126.9 147.6 30.9 5.7 20.7 47 53 A V E -AB 40 62A 28 -7,-3.0 -8,-3.7 -2,-0.3 -7,-1.9 -0.960 12.7-176.1-130.6 135.2 28.0 8.0 21.2 48 54 A F E -AB 38 61A 29 13,-2.0 13,-2.4 -2,-0.4 2,-0.3 -0.910 32.7-116.0-130.0 145.7 27.5 10.9 23.6 49 55 A E E -AB 37 60A 21 -12,-4.1 -13,-3.2 -2,-0.3 -12,-1.6 -0.659 52.7-178.8 -67.7 139.1 24.9 13.3 24.7 50 56 A G E -AB 35 59A 1 9,-2.9 9,-1.7 -2,-0.3 2,-0.4 -0.809 27.8-130.1-136.3 176.2 26.4 16.7 23.7 51 57 A I E -AB 34 58A 43 -17,-1.7 -17,-2.6 -2,-0.3 2,-0.7 -1.000 15.1-137.2-132.1 133.2 25.9 20.4 23.7 52 58 A N E > -A 33 0A 24 5,-2.6 4,-1.9 -2,-0.4 5,-0.4 -0.833 19.2-153.1 -81.4 115.8 26.3 22.9 20.9 53 59 A V T 4 S+ 0 0 52 -21,-3.2 -1,-0.1 -2,-0.7 -20,-0.1 0.702 86.3 61.8 -71.5 -21.7 28.2 25.7 22.6 54 60 A N T 4 S+ 0 0 109 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.943 126.3 9.8 -63.4 -51.5 26.8 28.4 20.2 55 61 A N T 4 S- 0 0 79 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.324 94.8-124.1-117.9 2.8 23.1 27.9 21.1 56 62 A N < + 0 0 121 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.638 59.9 146.3 61.9 19.9 23.3 25.6 24.1 57 63 A E - 0 0 126 -5,-0.4 -5,-2.6 1,-0.1 -1,-0.2 -0.619 53.0-105.8 -85.1 142.9 21.1 23.0 22.5 58 64 A K E +B 51 0A 116 -2,-0.3 51,-0.4 -7,-0.2 2,-0.3 -0.217 45.1 169.6 -58.2 155.0 21.5 19.3 23.1 59 65 A C E -B 50 0A 3 -9,-1.7 -9,-2.9 49,-0.2 2,-0.5 -0.933 33.3-109.9-153.9 178.4 23.0 17.2 20.4 60 66 A I E -BC 49 107A 23 47,-2.3 47,-2.6 -2,-0.3 2,-0.6 -0.983 22.7-159.2-120.5 130.2 24.4 13.7 19.7 61 67 A I E -BC 48 106A 7 -13,-2.4 -13,-2.0 -2,-0.5 2,-0.8 -0.922 4.0-168.8-116.8 107.5 28.1 13.2 19.2 62 68 A K E -BC 47 105A 12 43,-2.8 43,-2.7 -2,-0.6 2,-0.6 -0.844 7.6-160.9 -99.5 105.9 29.1 10.0 17.4 63 69 A I E -BC 46 104A 49 -17,-3.1 -17,-2.2 -2,-0.8 2,-0.3 -0.789 15.6-137.1 -93.4 121.5 32.8 9.5 17.6 64 70 A L E -B 45 0A 12 39,-2.5 -19,-0.3 -2,-0.6 3,-0.1 -0.567 6.8-132.4 -86.7 136.0 34.0 7.1 15.0 65 71 A K - 0 0 74 -21,-2.1 2,-0.1 -2,-0.3 -1,-0.1 -0.402 49.7 -71.3 -76.0 160.0 36.6 4.3 15.6 66 72 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.332 75.6 142.2 -60.1 126.1 39.5 3.9 13.2 67 73 A V - 0 0 58 -3,-0.1 5,-0.1 -2,-0.1 -3,-0.0 -0.949 55.3 -59.8-156.0 166.7 38.1 2.5 10.0 68 74 A K > - 0 0 168 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.222 42.3-124.6 -55.5 143.8 38.6 2.8 6.2 69 75 A K H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.780 109.7 62.4 -55.2 -30.7 38.1 6.3 4.7 70 76 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 100.4 49.0 -65.6 -48.3 35.6 4.7 2.3 71 77 A K H > S+ 0 0 39 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.721 111.0 52.4 -65.4 -26.9 33.2 3.5 5.0 72 78 A I H X S+ 0 0 25 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.909 110.0 45.3 -74.6 -47.7 33.3 7.0 6.5 73 79 A K H X S+ 0 0 33 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.890 111.0 57.8 -62.1 -37.7 32.4 8.8 3.3 74 80 A R H X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.952 108.9 42.0 -54.9 -56.9 29.7 6.1 2.7 75 81 A E H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.856 116.7 49.5 -62.1 -38.7 27.8 6.8 5.9 76 82 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.976 112.3 45.7 -64.4 -55.2 28.2 10.6 5.5 77 83 A K H X S+ 0 0 38 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.904 113.8 49.9 -55.6 -45.0 26.9 10.7 1.9 78 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.946 111.8 49.0 -58.2 -47.0 24.0 8.5 2.8 79 85 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 12,-0.3 0.882 112.3 46.3 -61.9 -44.2 23.2 10.7 5.8 80 86 A Q H < S+ 0 0 86 -4,-2.8 -1,-0.2 2,-0.2 3,-0.2 0.886 111.6 54.2 -62.4 -41.9 23.3 13.9 3.7 81 87 A N H < S+ 0 0 24 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.880 116.4 36.0 -58.9 -40.3 21.2 12.1 1.1 82 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.2 -1,-0.2 0.566 82.5 130.3 -95.2 -10.0 18.5 11.2 3.5 83 89 A X T 3< S+ 0 0 68 -4,-1.3 7,-0.1 1,-0.3 6,-0.1 -0.192 75.7 22.8 -49.3 122.9 18.5 14.3 5.8 84 90 A G T 3 S+ 0 0 49 4,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.122 91.3 127.1 104.9 -20.4 15.0 15.6 6.1 85 91 A G S X S- 0 0 4 -3,-2.4 3,-1.6 1,-0.2 -1,-0.3 -0.245 75.0 -70.3 -67.9 157.8 13.2 12.3 5.4 86 92 A P T 3 S- 0 0 55 0, 0.0 -1,-0.2 0, 0.0 54,-0.1 -0.254 110.2 -15.6 -58.1 125.4 10.5 10.9 7.7 87 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.9 -3,-0.1 2,-0.5 0.614 95.9 137.4 56.7 16.9 12.0 9.5 11.0 88 94 A I B < -e 167 0B 1 -3,-1.6 -4,-0.4 78,-0.2 -1,-0.2 -0.833 63.2-108.1 -91.6 127.8 15.6 9.5 9.6 89 95 A V - 0 0 8 78,-1.6 2,-0.6 -2,-0.5 -4,-0.1 -0.252 35.9-123.4 -53.7 135.2 18.2 10.8 12.1 90 96 A K - 0 0 67 -7,-0.1 18,-2.1 -6,-0.1 2,-0.6 -0.795 10.5-146.6 -93.9 123.8 19.5 14.3 11.1 91 97 A L E +D 107 0A 19 -2,-0.6 16,-0.3 -12,-0.3 3,-0.1 -0.762 21.5 174.8 -81.9 115.7 23.2 14.8 10.5 92 98 A L E - 0 0 99 14,-3.1 2,-0.3 -2,-0.6 15,-0.2 0.806 58.0 -7.6 -94.3 -33.5 23.9 18.4 11.6 93 99 A D E -D 106 0A 37 13,-1.6 13,-3.0 -65,-0.0 2,-0.4 -0.974 50.0-141.2-159.6 160.9 27.7 18.6 11.3 94 100 A I E +D 105 0A 10 -68,-0.3 -66,-3.4 -2,-0.3 2,-0.3 -0.990 31.4 161.7-134.0 128.2 30.9 16.7 10.7 95 101 A V E -D 104 0A 1 9,-2.2 9,-3.0 -2,-0.4 2,-0.3 -0.899 19.7-152.4-140.1 163.9 34.1 17.5 12.7 96 102 A R E -D 103 0A 92 -68,-0.3 2,-0.5 -2,-0.3 -66,-0.3 -0.981 29.2-106.2-140.5 154.2 37.5 16.0 13.6 97 103 A D > - 0 0 52 5,-1.5 4,-2.8 -2,-0.3 5,-0.3 -0.710 32.0-139.2 -73.5 119.6 40.0 16.2 16.3 98 104 A Q T 4 S+ 0 0 161 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.867 95.5 45.0 -48.6 -46.3 43.0 18.3 14.8 99 105 A H T 4 S+ 0 0 182 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.930 130.2 17.7 -70.9 -49.9 45.7 16.1 16.4 100 106 A S T 4 S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.615 92.0-132.1 -98.4 -16.7 44.5 12.5 15.7 101 107 A K < + 0 0 93 -4,-2.8 -3,-0.1 1,-0.2 -2,-0.0 0.776 43.1 165.9 65.6 30.0 41.9 13.3 13.0 102 108 A T - 0 0 53 -5,-0.3 -5,-1.5 1,-0.0 -1,-0.2 -0.675 32.1-129.5 -79.0 124.5 39.2 11.2 14.6 103 109 A P E - D 0 96A 15 0, 0.0 -39,-2.5 0, 0.0 2,-0.4 -0.428 20.5-166.9 -74.0 143.5 35.8 12.0 13.0 104 110 A S E -CD 63 95A 4 -9,-3.0 -9,-2.2 -41,-0.2 2,-0.5 -1.000 10.3-150.1-123.6 132.3 32.7 12.9 15.0 105 111 A L E -CD 62 94A 0 -43,-2.7 -43,-2.8 -2,-0.4 2,-0.5 -0.889 15.0-147.5 -95.3 130.0 29.3 13.0 13.3 106 112 A I E +CD 61 93A 1 -13,-3.0 -14,-3.1 -2,-0.5 -13,-1.6 -0.881 22.6 178.0-105.1 127.0 27.0 15.5 15.0 107 113 A F E -CD 60 91A 12 -47,-2.6 -47,-2.3 -2,-0.5 -16,-0.2 -0.817 37.0 -85.8-124.1 158.5 23.3 14.7 15.0 108 114 A E - 0 0 25 -18,-2.1 2,-0.4 -2,-0.3 -49,-0.2 -0.232 58.7-101.5 -48.5 150.1 20.0 16.0 16.3 109 115 A Y - 0 0 51 -51,-0.4 2,-0.4 -50,-0.1 -1,-0.1 -0.677 40.3-176.3 -84.7 136.5 19.4 15.0 19.9 110 116 A V - 0 0 14 -2,-0.4 2,-1.1 -51,-0.1 48,-0.1 -1.000 20.7-143.1-131.0 132.6 17.1 12.1 20.5 111 117 A N - 0 0 78 -2,-0.4 49,-0.2 46,-0.1 -2,-0.0 -0.650 30.4-169.2 -99.8 79.9 16.2 11.0 24.0 112 118 A N - 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0 0 99 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.837 50.5-147.4-141.0 96.6 10.6 -13.1 22.4 224 230 A E S S+ 0 0 38 -2,-0.4 2,-0.1 1,-0.2 -9,-0.1 -0.976 83.6 22.1-126.2 126.1 13.7 -11.2 21.7 225 231 A P S S- 0 0 29 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.668 81.1-159.7 -73.5 157.6 15.6 -11.9 19.7 226 232 A F S S+ 0 0 7 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.929 87.5 38.4 -64.0 -52.3 13.0 -13.9 17.8 227 233 A F S S- 0 0 3 -37,-0.4 2,-0.9 2,-0.0 -1,-0.2 -0.915 78.0-174.2-101.3 104.0 15.5 -16.1 15.9 228 234 A Y + 0 0 120 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.652 13.6 162.3-109.1 73.7 18.3 -16.7 18.4 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 -39,-0.1 -0.649 35.1-144.2 -88.3 150.4 21.1 -18.5 16.6 230 236 A H S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.825 82.7 5.0 -84.0 -35.9 24.7 -18.7 18.1 231 237 A D S > S- 0 0 81 -42,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.817 91.9 -87.0-136.8-179.1 26.5 -18.4 14.8 232 238 A N H > S+ 0 0 54 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.772 125.5 49.2 -66.5 -31.5 25.5 -17.9 11.2 233 239 A H H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 113.6 47.6 -69.9 -42.0 24.9 -21.5 10.4 234 240 A D H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.775 103.9 62.5 -67.4 -30.3 22.7 -21.8 13.5 235 241 A Q H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.915 105.5 45.6 -60.5 -44.7 20.9 -18.7 12.5 236 242 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.2 -2,-0.2 0.876 110.9 53.4 -63.9 -38.8 19.6 -20.4 9.4 237 243 A V H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.919 107.2 50.8 -64.2 -45.0 18.7 -23.6 11.4 238 244 A K H < S+ 0 0 63 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.860 112.0 48.0 -61.5 -37.8 16.6 -21.5 13.9 239 245 A I H >X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 3,-1.3 0.922 110.3 51.5 -64.1 -47.5 14.7 -19.9 10.9 240 246 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.3 -2,-0.2 0.715 101.7 60.4 -66.2 -27.6 14.2 -23.3 9.2 241 247 A K H 3< S+ 0 0 101 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.605 116.7 33.8 -75.2 -12.6 12.7 -24.7 12.4 242 248 A V H <4 S+ 0 0 16 -3,-1.3 31,-2.9 -4,-0.3 -2,-0.2 0.808 126.6 35.3-102.5 -52.8 10.0 -22.0 12.2 243 249 A L H < S- 0 0 19 -4,-3.2 4,-0.4 29,-0.2 29,-0.2 0.586 109.2-124.5 -81.4 -11.7 9.4 -21.5 8.5 244 250 A G X - 0 0 3 -4,-1.1 4,-0.7 27,-0.4 27,-0.2 0.209 17.7 -95.2 80.1 155.5 10.0 -25.2 7.7 245 251 A T H > S+ 0 0 3 25,-2.9 4,-2.7 1,-0.2 -1,-0.1 0.696 111.9 69.1 -82.2 -21.5 12.5 -26.6 5.2 246 252 A D H > S+ 0 0 101 24,-0.5 4,-2.8 2,-0.2 5,-0.2 0.932 100.6 48.4 -63.0 -47.3 10.2 -26.9 2.1 247 253 A G H > S+ 0 0 32 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.861 111.9 52.3 -57.2 -39.0 10.0 -23.2 1.7 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.937 109.4 47.7 -61.6 -49.9 13.8 -23.2 2.1 249 255 A N H X S+ 0 0 79 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.903 110.2 50.9 -61.5 -45.9 14.2 -25.8 -0.7 250 256 A V H X S+ 0 0 106 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.933 113.7 47.9 -49.4 -49.7 11.9 -24.0 -3.1 251 257 A Y H X S+ 0 0 4 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.908 109.6 50.1 -62.2 -47.6 13.9 -20.8 -2.4 252 258 A L H <>S+ 0 0 7 -4,-2.7 5,-3.9 1,-0.2 -1,-0.2 0.886 114.0 45.0 -60.9 -41.6 17.4 -22.4 -2.8 253 259 A N H ><5S+ 0 0 118 -4,-2.2 3,-0.9 3,-0.2 -1,-0.2 0.882 107.8 57.3 -75.3 -35.3 16.4 -23.9 -6.2 254 260 A K H 3<5S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.8 33.9 -54.5 -48.8 14.8 -20.8 -7.5 255 261 A Y T 3<5S- 0 0 39 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.238 113.2-120.3 -95.6 13.8 18.0 -18.8 -6.9 256 262 A R T < 5 + 0 0 219 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.882 56.3 160.5 53.9 46.1 20.1 -21.9 -7.8 257 263 A I < - 0 0 25 -5,-3.9 2,-0.5 -6,-0.1 -1,-0.2 -0.829 29.1-158.5-102.9 135.0 21.8 -21.9 -4.4 258 264 A E - 0 0 185 -2,-0.4 2,-0.4 -60,-0.1 -5,-0.0 -0.969 15.8-136.8-112.4 121.6 23.6 -24.9 -3.0 259 265 A L - 0 0 22 -2,-0.5 -61,-0.1 1,-0.1 5,-0.0 -0.615 33.3-105.8 -70.2 128.4 24.1 -25.0 0.8 260 266 A D >> - 0 0 73 -2,-0.4 4,-2.1 1,-0.1 3,-1.0 -0.300 40.2-103.4 -56.7 143.4 27.6 -26.2 1.7 261 267 A P H 3> S+ 0 0 92 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.706 118.0 50.6 -47.0 -35.9 27.4 -29.8 3.0 262 268 A Q H 3> S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.894 111.8 46.1 -73.6 -42.7 27.8 -28.9 6.7 263 269 A L H <> S+ 0 0 7 -3,-1.0 4,-2.9 1,-0.2 5,-0.3 0.954 110.3 54.4 -61.0 -50.9 25.1 -26.2 6.7 264 270 A E H X S+ 0 0 125 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.782 111.1 46.1 -53.7 -32.8 22.7 -28.5 4.8 265 271 A A H < S+ 0 0 75 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.850 111.4 50.8 -81.0 -37.3 23.2 -31.2 7.5 266 272 A L H < S+ 0 0 98 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.919 109.9 50.2 -62.7 -46.3 22.7 -28.7 10.4 267 273 A V H < S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 87.0 168.8 -59.8 -43.3 19.5 -27.4 8.9 268 274 A G < - 0 0 43 -4,-1.2 2,-0.3 -5,-0.3 -1,-0.2 -0.418 46.8 -52.0 69.8-137.7 18.1 -30.9 8.5 269 275 A R + 0 0 191 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.986 61.5 168.4-142.3 128.3 14.5 -31.2 7.6 270 276 A H - 0 0 56 -2,-0.3 -25,-2.9 -30,-0.1 -24,-0.5 -0.998 29.7-126.9-143.7 142.5 11.6 -29.6 9.5 271 277 A S - 0 0 96 -2,-0.3 -27,-0.4 -27,-0.2 2,-0.2 -0.451 47.6 -85.7 -79.3 162.9 7.9 -28.9 9.1 272 278 A R - 0 0 116 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.479 30.7-139.5 -75.0 137.9 6.6 -25.4 9.5 273 279 A K - 0 0 88 -31,-2.9 5,-0.1 -2,-0.2 -1,-0.1 -0.871 25.7-126.9 -98.5 106.9 5.7 -24.0 12.9 274 280 A P > - 0 0 57 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.166 17.7-118.7 -56.8 141.5 2.4 -21.9 12.6 275 281 A W G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.764 110.4 64.1 -55.6 -30.5 2.7 -18.4 14.0 276 282 A L G > S+ 0 0 104 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.689 84.5 74.2 -68.3 -18.9 -0.1 -19.0 16.6 277 283 A K G < S+ 0 0 143 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.647 91.8 58.5 -68.1 -11.7 2.2 -21.6 18.3 278 284 A F G < S+ 0 0 19 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.516 82.2 104.4 -93.0 -9.5 4.2 -18.6 19.6 279 285 A M < + 0 0 73 -3,-1.3 2,-0.3 -4,-0.2 -58,-0.1 -0.496 43.4 150.5 -72.2 142.8 1.2 -17.1 21.4 280 286 A N >> - 0 0 75 -2,-0.2 4,-2.2 -59,-0.0 3,-1.0 -0.917 62.2 -77.9-157.6-179.2 1.2 -17.5 25.2 281 287 A A T 34 S+ 0 0 95 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.626 126.2 55.4 -67.2 -13.4 -0.1 -15.7 28.4 282 288 A D T 34 S+ 0 0 123 -61,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.717 122.5 24.7 -82.9 -26.8 2.8 -13.2 28.2 283 289 A N T X> S+ 0 0 0 -3,-1.0 3,-2.9 -62,-0.1 4,-1.0 0.536 87.7 101.6-119.2 -9.9 2.0 -12.1 24.6 284 290 A Q G >< S+ 0 0 128 -4,-2.2 3,-0.7 1,-0.3 -3,-0.1 0.832 77.7 63.2 -46.8 -43.2 -1.7 -12.8 24.1 285 291 A H G 34 S+ 0 0 118 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.2 0.629 112.0 37.7 -58.4 -13.8 -2.5 -9.1 24.6 286 292 A L G <4 S+ 0 0 2 -3,-2.9 2,-0.5 -66,-0.3 -1,-0.2 0.546 93.9 94.2-116.1 -13.2 -0.4 -8.3 21.4 287 293 A V << + 0 0 20 -4,-1.0 -163,-0.0 -3,-0.7 3,-0.0 -0.743 45.4 151.5 -87.8 127.1 -1.2 -11.2 19.2 288 294 A S > - 0 0 24 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.937 57.1-108.0-144.0 155.0 -4.1 -10.6 16.7 289 295 A P H > S+ 0 0 112 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.859 120.8 54.6 -54.5 -38.4 -4.8 -12.0 13.2 290 296 A E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.942 109.2 47.7 -64.7 -43.0 -3.9 -8.7 11.6 291 297 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.936 114.9 45.6 -54.3 -50.8 -0.4 -8.8 13.4 292 298 A I H X S+ 0 0 26 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.903 111.7 51.3 -63.0 -43.2 0.1 -12.4 12.4 293 299 A D H X S+ 0 0 53 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.927 113.4 45.3 -61.3 -46.5 -0.9 -11.7 8.7 294 300 A F H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 3,-0.3 0.949 114.6 48.0 -59.9 -50.8 1.4 -8.8 8.5 295 301 A L H >X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 3,-2.2 0.943 108.7 54.6 -52.4 -51.3 4.3 -10.7 10.2 296 302 A D H 3< S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.1 52.4 -54.7 -37.8 3.7 -13.7 7.8 297 303 A K H 3< S+ 0 0 71 -4,-1.6 10,-1.8 -3,-0.3 -1,-0.3 0.546 112.5 45.2 -80.7 -9.1 4.0 -11.4 4.8 298 304 A L H << S+ 0 0 0 -3,-2.2 2,-2.0 -4,-0.6 -2,-0.2 0.830 101.1 65.7 -92.7 -49.4 7.4 -10.1 6.1 299 305 A L < + 0 0 3 -4,-2.7 2,-0.4 -86,-0.1 -1,-0.2 -0.485 68.5 137.7 -81.1 76.7 9.1 -13.3 7.1 300 306 A R - 0 0 63 -2,-2.0 6,-0.2 -3,-0.2 5,-0.1 -0.960 54.1-140.3-118.7 134.6 9.4 -15.0 3.7 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-0.6 -58,-0.1 -106,-0.3 0.969 93.3 72.4 -51.0 -53.9 12.6 -16.8 2.6 302 308 A D S >> S- 0 0 13 1,-0.2 3,-1.1 -3,-0.1 4,-0.7 -0.557 71.1-160.8 -72.5 112.5 12.2 -15.3 -0.8 303 309 A H T 34 S+ 0 0 2 -2,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.731 91.1 61.2 -64.7 -27.4 13.0 -11.7 -0.5 304 310 A Q T 34 S+ 0 0 50 1,-0.2 -1,-0.2 -301,-0.1 -2,-0.1 0.644 103.5 53.2 -72.1 -11.8 11.2 -11.0 -3.8 305 311 A E T <4 S+ 0 0 94 -3,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.664 87.8 99.4-101.7 -20.2 8.1 -12.3 -2.0 306 312 A R S < S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.3 -9,-0.1 -0.277 83.7 -94.0 -64.1 150.2 8.2 -10.0 1.1 307 313 A L - 0 0 28 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.337 36.0-124.3 -57.4 141.9 6.1 -6.8 1.4 308 314 A T > - 0 0 24 1,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.498 27.7-109.8 -76.4 158.6 7.7 -3.6 0.3 309 315 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -170,-0.2 0.875 122.8 53.9 -59.1 -36.7 7.8 -0.9 2.9 310 316 A L H > S+ 0 0 96 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.964 111.1 45.0 -59.0 -52.2 5.2 0.9 0.8 311 317 A E H >4 S+ 0 0 79 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.923 110.0 55.0 -56.0 -48.5 2.9 -2.2 0.8 312 318 A A H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 6,-0.3 0.873 99.8 60.0 -57.7 -40.7 3.4 -2.8 4.5 313 319 A M H 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.752 105.8 49.3 -59.1 -25.5 2.2 0.7 5.4 314 320 A T T << S+ 0 0 93 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.403 80.2 121.2 -95.6 0.3 -1.2 -0.0 3.8 315 321 A H S X S- 0 0 11 -3,-1.6 3,-2.3 -4,-0.4 4,-0.1 -0.439 75.5-120.0 -65.2 139.2 -1.7 -3.3 5.5 316 322 A P G > S+ 0 0 61 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.671 108.0 78.8 -54.3 -23.5 -5.0 -3.2 7.6 317 323 A Y G 3 S+ 0 0 1 -27,-0.3 3,-0.3 1,-0.2 4,-0.2 0.883 99.2 43.4 -48.8 -36.5 -2.9 -3.9 10.7 318 324 A F G <> S+ 0 0 0 -3,-2.3 4,-2.4 -6,-0.3 3,-0.3 0.341 79.6 111.6 -93.4 10.0 -2.1 -0.2 10.5 319 325 A Q H <> S+ 0 0 122 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.790 77.5 47.8 -62.0 -32.4 -5.5 1.3 9.7 320 326 A Q H > S+ 0 0 124 -3,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.885 112.0 51.2 -72.5 -37.4 -6.1 3.1 13.0 321 327 A V H > S+ 0 0 4 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.937 112.7 46.3 -58.4 -51.5 -2.6 4.7 12.8 322 328 A R H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.873 113.5 48.2 -57.5 -44.5 -3.4 5.8 9.3 323 329 A A H < S+ 0 0 59 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.913 107.4 55.4 -66.1 -43.3 -6.9 7.2 10.3 324 330 A A H >< S+ 0 0 56 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.895 112.0 46.0 -52.5 -41.2 -5.4 9.0 13.2 325 331 A E H 3< S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 101.1 62.9 -68.0 -47.5 -3.0 10.7 10.7 326 332 A N T 3< 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.287 360.0 360.0 -70.7 13.9 -5.7 11.6 8.2 327 333 A S < 0 0 132 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.1 -0.263 360.0 360.0-132.8 360.0 -7.3 13.8 10.8