==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-APR-11 3AXW . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA,I.NAKANISHI . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 66.9 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 . 40 12.2 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 . 1 0.3 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 . 45 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 28.3 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 3 2 0 1 1 0 0 1 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 1 2 0 1 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 . 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 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.6 14.6 -33.1 -8.4 2 3 A G - 0 0 47 1,-0.2 260,-0.1 260,-0.1 0, 0.0 -0.462 360.0 -61.2-105.3 178.9 16.5 -30.0 -9.4 3 4 A P - 0 0 79 0, 0.0 258,-0.2 0, 0.0 -1,-0.2 -0.096 51.1-109.8 -58.4 154.4 15.7 -26.2 -9.8 4 5 A V - 0 0 64 256,-2.2 258,-0.0 1,-0.1 255,-0.0 -0.721 38.3-116.9 -86.2 131.4 13.1 -24.9 -12.1 5 6 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.234 32.4-160.7 -64.1 159.3 14.7 -23.0 -15.1 6 7 A S - 0 0 3 201,-0.1 178,-0.3 202,-0.1 2,-0.3 -0.854 8.8-158.3-136.8 170.4 14.0 -19.3 -15.5 7 8 A R - 0 0 116 -2,-0.3 202,-0.1 176,-0.1 2,-0.1 -0.988 34.3-100.4-150.6 146.3 14.2 -16.7 -18.3 8 9 A A - 0 0 2 -2,-0.3 4,-0.1 200,-0.2 301,-0.1 -0.463 30.0-144.4 -63.5 140.3 14.5 -12.9 -18.3 9 10 A R S S+ 0 0 120 2,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.645 82.6 40.2 -84.2 -11.9 10.9 -11.8 -19.1 10 11 A V S S+ 0 0 50 1,-0.1 200,-0.2 2,-0.1 -1,-0.0 -0.938 121.4 11.4-131.9 153.5 12.2 -8.8 -21.1 11 12 A Y S > S+ 0 0 58 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.782 78.0 155.0 49.3 31.1 15.1 -8.5 -23.6 12 13 A T T 3 S+ 0 0 36 1,-0.2 -4,-0.2 -4,-0.1 3,-0.1 0.812 70.2 23.2 -56.1 -39.4 15.2 -12.3 -23.5 13 14 A D T 3> S+ 0 0 70 1,-0.1 4,-1.3 169,-0.1 -1,-0.2 0.054 77.7 121.8-120.8 28.1 16.8 -12.9 -26.9 14 15 A V T <4 S+ 0 0 34 -3,-0.9 3,-0.3 1,-0.2 4,-0.1 0.894 85.1 41.4 -59.2 -37.7 18.6 -9.7 -27.8 15 16 A N T >4 S+ 0 0 1 166,-0.4 3,-1.4 -4,-0.3 -1,-0.2 0.851 105.3 65.7 -76.8 -34.4 22.0 -11.4 -28.1 16 17 A T T 34 S+ 0 0 75 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.2 0.802 107.5 40.7 -58.1 -28.9 20.5 -14.4 -30.0 17 18 A H T 3< S+ 0 0 155 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.356 97.8 89.7-104.8 9.5 19.5 -12.2 -32.9 18 19 A R S < S- 0 0 77 -3,-1.4 5,-0.1 1,-0.2 -3,-0.0 -0.737 93.7 -82.6-101.2 151.7 22.7 -10.1 -33.1 19 20 A P >> - 0 0 81 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.075 42.5-111.8 -49.4 154.7 25.7 -11.1 -35.2 20 21 A R H >> S+ 0 0 161 1,-0.3 4,-2.7 2,-0.2 3,-1.4 0.916 114.7 65.8 -57.0 -44.7 28.0 -13.5 -33.5 21 22 A E H 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.692 89.8 68.3 -52.4 -20.4 30.8 -10.9 -33.2 22 23 A Y H <4 S+ 0 0 25 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.875 119.6 13.6 -70.4 -38.1 28.6 -8.8 -30.9 23 24 A W H << S+ 0 0 68 -3,-1.4 2,-2.5 -4,-0.5 3,-0.2 0.614 103.3 90.3-111.7 -18.7 28.7 -11.3 -27.9 24 25 A D >< + 0 0 29 -4,-2.7 3,-1.5 1,-0.2 4,-0.2 -0.428 49.4 162.1 -79.8 67.6 31.6 -13.6 -29.0 25 26 A Y G > + 0 0 38 -2,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.735 60.7 71.1 -59.9 -27.7 34.1 -11.4 -27.2 26 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.731 100.5 47.2 -65.4 -19.6 36.8 -14.1 -27.1 27 28 A S G < S+ 0 0 70 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.430 85.9 123.4 -98.7 -1.4 37.2 -13.7 -30.9 28 29 A H < - 0 0 28 -3,-1.4 2,-0.7 -4,-0.2 54,-0.1 -0.395 55.4-145.1 -63.5 131.5 37.4 -9.9 -30.6 29 30 A V - 0 0 123 -2,-0.1 2,-0.1 49,-0.0 -1,-0.1 -0.885 16.9-137.8-104.0 107.9 40.5 -8.4 -32.1 30 31 A V - 0 0 24 -2,-0.7 2,-0.5 1,-0.0 48,-0.0 -0.388 6.4-151.3 -68.3 137.7 41.6 -5.4 -30.0 31 32 A E - 0 0 158 -2,-0.1 2,-0.3 69,-0.0 68,-0.1 -0.951 25.0-138.5-108.4 125.9 42.9 -2.3 -31.8 32 33 A W - 0 0 117 -2,-0.5 68,-0.2 1,-0.1 2,-0.1 -0.631 11.5-152.0 -95.1 147.9 45.4 -0.5 -29.6 33 34 A G - 0 0 20 66,-3.7 2,-0.5 -2,-0.3 68,-0.3 -0.140 42.1 -81.6 -92.4-164.8 46.0 3.2 -28.8 34 35 A N > - 0 0 94 1,-0.1 3,-1.2 66,-0.1 4,-0.2 -0.907 25.6-157.7-107.4 124.2 49.3 4.6 -27.8 35 36 A Q G > S+ 0 0 78 -2,-0.5 3,-1.3 1,-0.2 -1,-0.1 0.735 89.0 69.3 -73.3 -16.1 50.5 4.2 -24.2 36 37 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.2 3,-0.0 22,-0.1 0.581 82.4 74.1 -77.7 -3.3 52.9 7.2 -24.5 37 38 A D G < S+ 0 0 38 -3,-1.2 21,-1.9 20,-0.1 22,-0.4 0.610 92.3 71.1 -80.5 -12.1 49.9 9.6 -24.7 38 39 A Y E < -A 57 0A 38 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.923 54.6-170.9-120.9 139.2 49.3 9.1 -21.0 39 40 A Q E -A 56 0A 116 17,-2.5 17,-2.2 -2,-0.4 -3,-0.0 -0.968 24.5-138.5-117.4 112.5 51.1 10.1 -17.8 40 41 A L E +A 55 0A 61 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.327 24.1 178.3 -65.4 159.9 49.7 8.5 -14.6 41 42 A V E + 0 0 91 13,-2.6 2,-0.3 1,-0.5 14,-0.2 0.647 54.8 0.3-133.1 -39.2 49.5 11.0 -11.7 42 43 A R E -A 54 0A 133 12,-1.4 12,-2.2 0, 0.0 -1,-0.5 -0.978 64.6-119.9-152.1 150.3 48.0 9.6 -8.5 43 44 A K E +A 53 0A 86 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.824 31.1 172.7 -94.8 139.5 46.8 6.1 -7.5 44 45 A L E + 0 0 89 8,-2.8 2,-0.4 -2,-0.4 9,-0.2 0.739 57.7 25.6-113.2 -46.4 43.1 6.2 -6.4 45 46 A G E -A 52 0A 29 7,-1.2 7,-2.3 2,-0.0 2,-0.4 -0.969 48.2-173.8-132.4 141.4 42.0 2.6 -5.9 46 47 A R E +A 51 0A 176 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.948 22.7 155.1-131.7 110.6 43.6 -0.7 -5.1 47 48 A G - 0 0 38 3,-1.6 3,-0.1 -2,-0.4 -2,-0.0 -0.769 60.0 -87.8-124.7 172.2 41.4 -3.8 -5.2 48 49 A K S S+ 0 0 171 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.560 124.2 34.4 -59.2 -9.4 42.1 -7.5 -5.7 49 50 A Y S S+ 0 0 125 1,-0.2 21,-0.9 20,-0.0 2,-0.3 0.707 117.0 17.2-120.5 -27.3 41.8 -7.1 -9.5 50 51 A S E - B 0 69A 18 19,-0.2 -3,-1.6 -3,-0.1 2,-0.5 -0.868 49.7-134.1-143.9 176.0 43.1 -3.7 -10.6 51 52 A E E -AB 46 68A 46 17,-1.1 17,-2.3 -2,-0.3 2,-0.4 -0.995 30.8-160.6-131.3 117.3 45.2 -0.6 -9.9 52 53 A V E -AB 45 67A 34 -7,-2.3 -8,-2.8 -2,-0.5 -7,-1.2 -0.907 9.3-174.6-108.9 133.4 43.4 2.6 -10.9 53 54 A F E -AB 43 66A 31 13,-2.8 13,-3.0 -2,-0.4 2,-0.3 -0.957 29.2-128.3-131.0 146.4 45.1 5.9 -11.5 54 55 A E E +AB 42 65A 30 -12,-2.2 -13,-2.6 -2,-0.3 -12,-1.4 -0.706 47.9 174.7 -82.5 141.8 44.1 9.5 -12.2 55 56 A A E -AB 40 64A 1 9,-3.3 9,-2.5 -2,-0.3 2,-0.4 -0.892 29.1-126.4-144.0 174.1 46.1 10.3 -15.3 56 57 A I E -AB 39 63A 33 -17,-2.2 -17,-2.5 -2,-0.3 2,-0.9 -0.988 12.9-138.5-130.7 136.4 46.7 13.0 -17.9 57 58 A N E >>> -AB 38 62A 13 5,-2.6 4,-1.5 -2,-0.4 3,-1.4 -0.858 18.5-156.7 -91.1 109.6 46.6 12.8 -21.7 58 59 A I T 345S+ 0 0 89 -21,-1.9 -1,-0.1 -2,-0.9 -20,-0.1 0.438 82.2 69.2 -72.5 2.6 49.5 14.9 -22.7 59 60 A T T 345S+ 0 0 91 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.385 124.6 7.2 -98.2 2.9 48.3 15.7 -26.2 60 61 A N T <45S- 0 0 84 -3,-1.4 -2,-0.2 2,-0.1 3,-0.1 0.353 95.3-115.0-161.1 1.0 45.5 17.9 -24.9 61 62 A N T <5 + 0 0 130 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.704 63.7 151.0 60.3 25.7 46.0 18.2 -21.1 62 63 A E E < -B 57 0A 85 -5,-0.8 -5,-2.6 1,-0.0 -1,-0.2 -0.655 45.4-124.5 -86.7 134.8 42.7 16.3 -20.5 63 64 A K E +B 56 0A 113 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.579 37.6 167.4 -81.2 148.2 42.4 14.3 -17.2 64 65 A V E -BC 55 113A 1 -9,-2.5 -9,-3.3 -2,-0.2 2,-0.4 -0.892 32.9-116.1-148.6 174.1 41.5 10.6 -17.6 65 66 A V E -BC 54 112A 26 47,-2.3 47,-3.2 -2,-0.3 2,-0.5 -0.981 22.7-155.8-122.1 130.7 41.4 7.5 -15.4 66 67 A V E -BC 53 111A 4 -13,-3.0 -13,-2.8 -2,-0.4 2,-0.7 -0.932 5.5-167.9-113.0 125.1 43.7 4.5 -16.2 67 68 A K E -BC 52 110A 16 43,-2.6 43,-2.7 -2,-0.5 2,-0.6 -0.942 9.4-158.3-113.2 108.6 42.8 1.0 -15.0 68 69 A I E -BC 51 109A 8 -17,-2.3 -17,-1.1 -2,-0.7 2,-1.0 -0.793 16.0-134.6 -89.4 122.3 45.8 -1.3 -15.4 69 70 A L E -B 50 0A 9 39,-1.6 -19,-0.2 -2,-0.6 3,-0.2 -0.686 14.3-139.5 -83.9 102.2 44.6 -4.9 -15.6 70 71 A K - 0 0 62 -2,-1.0 35,-0.1 -21,-0.9 -1,-0.0 -0.136 51.3 -70.7 -50.5 155.4 46.8 -7.1 -13.4 71 72 A P S S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 35,-0.0 -0.284 77.3 144.4 -52.4 136.6 47.5 -10.4 -15.1 72 73 A V - 0 0 49 -3,-0.2 4,-0.4 0, 0.0 5,-0.2 -0.101 62.9 -63.2-177.5 69.0 44.2 -12.3 -15.2 73 74 A K >> - 0 0 154 1,-0.1 4,-1.0 2,-0.1 3,-0.7 0.755 45.3-114.0 49.8 129.3 43.2 -14.5 -18.2 74 75 A K H 3> S+ 0 0 167 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.661 110.9 68.4 -63.4 -16.1 42.7 -12.9 -21.6 75 76 A K H 3> S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 98.1 47.5 -69.9 -44.5 39.0 -13.9 -21.4 76 77 A K H <> S+ 0 0 51 -3,-0.7 4,-1.7 -4,-0.4 -1,-0.2 0.846 113.3 48.3 -65.0 -38.3 38.1 -11.5 -18.6 77 78 A I H X S+ 0 0 20 -4,-1.0 4,-2.0 -5,-0.2 -1,-0.2 0.881 113.1 47.5 -71.0 -40.0 39.9 -8.5 -20.2 78 79 A K H X S+ 0 0 44 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.839 108.5 55.2 -70.6 -34.3 38.2 -9.2 -23.6 79 80 A R H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.951 111.5 43.0 -63.7 -49.4 34.8 -9.5 -22.0 80 81 A E H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.885 115.6 48.3 -64.8 -41.6 35.0 -6.1 -20.3 81 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.963 112.5 48.1 -64.5 -50.8 36.5 -4.4 -23.4 82 83 A K H X S+ 0 0 29 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.883 115.0 46.4 -57.0 -40.6 33.9 -5.9 -25.7 83 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.951 110.9 50.4 -68.3 -49.1 31.1 -4.9 -23.4 84 85 A L H X S+ 0 0 2 -4,-2.9 4,-0.8 1,-0.2 12,-0.3 0.893 113.1 48.3 -56.3 -38.7 32.5 -1.3 -22.8 85 86 A E H >< S+ 0 0 40 -4,-2.6 3,-0.5 2,-0.2 -1,-0.2 0.904 109.2 51.4 -69.2 -40.7 32.7 -1.0 -26.6 86 87 A N H 3< S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.8 41.1 -63.7 -36.7 29.1 -2.3 -27.2 87 88 A L H >< S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.1 -1,-0.2 0.495 81.0 130.4 -89.5 -6.5 27.8 0.2 -24.6 88 89 A R T << S+ 0 0 111 -4,-0.8 7,-0.1 -3,-0.5 6,-0.1 -0.264 76.7 22.1 -54.3 125.9 29.9 3.3 -25.6 89 90 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.369 91.2 140.3 95.8 -2.7 27.6 6.3 -26.0 90 91 A G X - 0 0 8 -3,-2.5 3,-1.5 1,-0.1 2,-0.4 -0.326 69.1 -80.3 -68.8 156.4 24.9 4.7 -23.9 91 92 A P T 3 S- 0 0 54 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.469 109.2 -13.5 -67.2 119.0 23.1 7.1 -21.5 92 93 A N T 3 S+ 0 0 25 -2,-0.4 80,-2.1 1,-0.3 2,-0.4 0.593 96.5 142.2 67.9 16.2 25.3 7.6 -18.4 93 94 A I B < -e 172 0B 3 -3,-1.5 -4,-0.3 78,-0.2 -1,-0.3 -0.719 62.2-105.4 -86.6 133.3 27.6 4.7 -19.3 94 95 A I - 0 0 7 78,-1.8 2,-0.5 -2,-0.4 -4,-0.1 -0.348 39.3-120.4 -57.6 135.5 31.2 5.4 -18.4 95 96 A T - 0 0 49 -7,-0.1 18,-1.6 -6,-0.1 2,-0.9 -0.694 10.7-145.2 -87.3 126.1 33.1 6.1 -21.7 96 97 A L E +D 112 0A 1 -2,-0.5 16,-0.2 -12,-0.3 3,-0.1 -0.799 23.0 179.1 -86.5 109.6 36.0 3.9 -22.6 97 98 A A E - 0 0 52 14,-2.0 2,-0.3 -2,-0.9 15,-0.2 0.772 56.1 -8.0 -86.0 -27.9 38.3 6.4 -24.3 98 99 A D E -D 111 0A 34 13,-1.8 13,-3.0 -65,-0.1 2,-0.4 -0.984 50.1-145.4-163.6 163.0 41.3 4.3 -25.2 99 100 A I E +D 110 0A 7 -2,-0.3 -66,-3.7 11,-0.2 2,-0.3 -0.993 26.6 172.8-137.9 127.0 42.9 0.8 -24.8 100 101 A V E -D 109 0A 5 9,-2.4 9,-1.8 -2,-0.4 2,-1.1 -0.975 40.9-112.4-139.6 150.7 46.7 0.4 -24.6 101 102 A K E -D 108 0A 108 -68,-0.3 -66,-0.2 -2,-0.3 6,-0.1 -0.745 43.2-147.2 -83.9 103.0 49.3 -2.3 -23.8 102 103 A D > - 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0 0 2 -4,-1.4 4,-0.9 -5,-0.4 27,-0.2 0.214 12.4 -98.2 87.0 150.6 9.9 -11.9 6.1 250 251 A T H > S+ 0 0 10 25,-1.8 4,-2.6 2,-0.2 5,-0.3 0.795 108.9 72.3 -76.0 -29.2 10.5 -15.6 5.8 251 252 A E H > S+ 0 0 150 24,-0.6 4,-1.5 1,-0.2 3,-0.4 0.962 103.9 37.8 -48.7 -65.4 7.0 -16.4 4.3 252 253 A D H > S+ 0 0 63 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.872 113.3 60.1 -55.7 -37.6 7.6 -14.9 0.9 253 254 A L H X S+ 0 0 3 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.904 107.6 43.3 -57.8 -44.6 11.2 -16.2 1.1 254 255 A Y H X S+ 0 0 81 -4,-2.6 4,-1.9 -3,-0.4 -1,-0.2 0.714 107.8 59.5 -75.2 -21.3 10.0 -19.8 1.4 255 256 A D H X S+ 0 0 95 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.835 106.3 49.6 -73.4 -31.2 7.4 -19.3 -1.3 256 257 A Y H X S+ 0 0 6 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.934 109.1 50.5 -68.6 -50.7 10.4 -18.4 -3.6 257 258 A I H X>S+ 0 0 16 -4,-1.7 5,-2.0 1,-0.2 4,-0.5 0.910 112.2 48.3 -54.0 -48.4 12.3 -21.5 -2.7 258 259 A D H ><5S+ 0 0 115 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.901 107.6 54.2 -61.1 -46.7 9.2 -23.6 -3.4 259 260 A K H 3<5S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 119.4 32.2 -58.7 -41.1 8.5 -22.1 -6.8 260 261 A Y H 3<5S- 0 0 4 -4,-2.0 -256,-2.2 -5,-0.1 -1,-0.2 0.361 104.8-126.8-100.2 8.1 11.9 -22.7 -8.2 261 262 A N T <<5 + 0 0 49 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.873 42.8 176.6 47.8 48.5 12.4 -25.9 -6.2 262 263 A I < - 0 0 9 -5,-2.0 2,-0.7 -6,-0.2 -1,-0.2 -0.705 28.6-134.8 -86.3 122.3 15.7 -24.7 -4.8 263 264 A E - 0 0 142 -2,-0.5 2,-0.3 -60,-0.0 -1,-0.0 -0.681 24.9-144.3 -78.8 116.7 17.3 -27.1 -2.3 264 265 A L - 0 0 34 -2,-0.7 5,-0.1 1,-0.1 -61,-0.1 -0.620 22.3-101.3 -85.0 141.9 18.4 -24.9 0.6 265 266 A D >> - 0 0 67 -2,-0.3 3,-1.6 1,-0.2 4,-0.6 -0.305 28.6-128.3 -57.2 137.4 21.6 -25.6 2.5 266 267 A P H 3> S+ 0 0 90 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.656 108.6 64.7 -66.6 -10.0 20.7 -27.3 5.8 267 268 A R H 3> S+ 0 0 142 1,-0.2 4,-0.7 2,-0.2 3,-0.1 0.703 92.8 61.1 -82.8 -19.2 22.8 -24.7 7.6 268 269 A F H <> S+ 0 0 8 -3,-1.6 4,-1.5 1,-0.2 5,-0.3 0.707 89.4 78.5 -76.8 -21.2 20.3 -22.0 6.4 269 270 A N H X S+ 0 0 86 -4,-0.6 4,-0.9 1,-0.2 3,-0.3 0.949 97.8 33.0 -50.9 -65.4 17.6 -23.8 8.4 270 271 A D H < S+ 0 0 150 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.742 119.5 49.9 -70.4 -26.4 18.3 -22.7 11.9 271 272 A I H < S+ 0 0 74 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.689 102.3 58.0 -90.1 -15.6 19.6 -19.2 11.2 272 273 A L H < S+ 0 0 2 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.857 81.4 164.0 -78.2 -33.5 16.8 -18.0 8.9 273 274 A G < - 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0 0 100 -2,-0.5 4,-1.5 -59,-0.1 3,-0.6 -0.719 58.5 -77.7-137.7-169.8 12.5 8.6 11.3 286 287 A S T 34 S+ 0 0 108 -2,-0.2 4,-0.2 1,-0.2 -2,-0.0 0.599 121.8 53.1 -73.3 -12.1 13.3 12.3 11.7 287 288 A E T 34 S+ 0 0 135 -61,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.623 122.7 28.5 -96.2 -11.8 16.6 12.4 9.8 288 289 A N T X4 S+ 0 0 0 -3,-0.6 3,-1.8 2,-0.1 4,-0.4 0.485 88.0 96.3-124.6 -4.7 15.2 10.7 6.7 289 290 A Q G >< S+ 0 0 109 -4,-1.5 3,-1.2 1,-0.3 -3,-0.1 0.802 78.8 64.1 -56.8 -32.8 11.5 11.5 6.5 290 291 A H G 3 S+ 0 0 91 1,-0.3 -161,-0.3 -4,-0.2 -1,-0.3 0.545 105.3 45.3 -70.7 -6.4 12.1 14.4 4.1 291 292 A L G < S+ 0 0 3 -3,-1.8 2,-0.4 -66,-0.3 -1,-0.3 0.351 101.5 87.1-113.6 -2.1 13.4 11.9 1.5 292 293 A V < + 0 0 26 -3,-1.2 3,-0.1 -4,-0.4 -163,-0.0 -0.813 47.5 154.5-106.2 142.8 10.5 9.4 2.0 293 294 A S > - 0 0 16 -2,-0.4 4,-2.8 1,-0.1 5,-0.3 -0.987 55.4-101.5-157.3 160.5 7.1 9.4 0.4 294 295 A P H > S+ 0 0 97 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.928 124.0 52.4 -52.7 -44.1 4.3 7.0 -0.6 295 296 A E H > S+ 0 0 78 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.962 111.4 47.4 -54.6 -52.0 5.6 7.0 -4.1 296 297 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.902 112.6 46.2 -55.2 -50.4 9.0 6.1 -2.9 297 298 A L H X S+ 0 0 18 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.897 115.5 48.0 -62.1 -39.6 7.9 3.3 -0.5 298 299 A D H X S+ 0 0 62 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.928 113.7 46.7 -67.0 -44.2 5.7 1.9 -3.3 299 300 A F H < S+ 0 0 0 -4,-3.2 -2,-0.2 -5,-0.3 4,-0.2 0.855 114.5 47.0 -66.4 -35.0 8.6 2.1 -5.8 300 301 A L H >X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 3,-1.6 0.896 107.4 57.8 -71.8 -40.1 11.0 0.5 -3.4 301 302 A D H 3< S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.871 105.7 50.3 -56.5 -40.0 8.4 -2.2 -2.6 302 303 A K T 3< S+ 0 0 62 -4,-1.7 10,-1.6 1,-0.1 -1,-0.3 0.489 111.8 47.8 -79.8 -4.3 8.3 -3.1 -6.3 303 304 A L T <4 S+ 0 0 0 -3,-1.6 2,-1.5 -4,-0.2 -2,-0.2 0.849 101.8 61.8 -98.4 -53.8 12.1 -3.4 -6.6 304 305 A L S < S+ 0 0 6 -4,-2.3 2,-0.4 -86,-0.1 -1,-0.2 -0.559 70.3 134.9 -80.5 86.2 12.9 -5.5 -3.5 305 306 A R - 0 0 96 -2,-1.5 6,-0.1 -3,-0.2 5,-0.1 -0.978 56.0-134.5-131.8 140.4 11.1 -8.8 -4.2 306 307 A Y S S+ 0 0 10 -2,-0.4 2,-0.5 -107,-0.1 -106,-0.3 0.956 91.7 73.3 -59.7 -52.3 12.5 -12.3 -3.7 307 308 A D S >> S- 0 0 26 1,-0.2 3,-1.7 -3,-0.1 4,-0.7 -0.532 70.2-157.6 -70.0 116.8 11.2 -13.5 -7.0 308 309 A H T 34 S+ 0 0 2 -2,-0.5 3,-0.2 1,-0.3 -1,-0.2 0.725 91.3 63.8 -65.6 -22.8 13.3 -12.0 -9.7 309 310 A Q T 34 S+ 0 0 64 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.463 104.2 48.3 -81.0 -0.9 10.5 -12.5 -12.2 310 311 A S T <4 S+ 0 0 41 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.566 84.4 103.9-113.6 -14.4 8.4 -10.1 -10.2 311 312 A R S < S- 0 0 2 -4,-0.7 -8,-0.2 -3,-0.2 2,-0.2 -0.241 82.7 -97.6 -64.7 159.4 10.7 -7.2 -9.7 312 313 A L - 0 0 26 -10,-1.6 2,-0.1 -13,-0.2 -1,-0.1 -0.508 36.6-125.7 -75.8 149.6 10.1 -4.1 -11.9 313 314 A T > - 0 0 22 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.406 28.4-103.5 -87.4 171.9 12.3 -3.8 -15.0 314 315 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -170,-0.1 0.939 122.7 49.4 -63.1 -44.4 14.3 -0.7 -15.6 315 316 A R H > S+ 0 0 144 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.918 111.5 48.0 -60.9 -43.8 11.8 0.5 -18.2 316 317 A E H >4 S+ 0 0 65 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.894 108.7 55.8 -63.5 -40.2 8.8 -0.1 -15.9 317 318 A A H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.894 100.3 57.4 -59.7 -42.0 10.6 1.7 -13.1 318 319 A M H 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.720 101.2 59.2 -62.5 -19.8 11.1 4.9 -15.2 319 320 A E T << S+ 0 0 144 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.510 81.8 118.8 -87.4 -3.0 7.3 5.0 -15.6 320 321 A H S X S- 0 0 16 -3,-2.1 3,-2.2 -4,-0.2 -3,-0.0 -0.347 73.9-124.8 -68.4 141.8 6.8 5.2 -11.8 321 322 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.724 103.4 80.4 -53.8 -25.1 5.0 8.2 -10.3 322 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.2 -27,-0.2 4,-0.2 0.764 94.4 49.8 -55.6 -24.0 8.1 8.7 -8.1 323 324 A F G <> S+ 0 0 1 -3,-2.2 4,-3.6 -6,-0.2 -1,-0.3 0.121 74.2 100.4-105.1 20.2 9.7 10.3 -11.1 324 325 A Y H <> S+ 0 0 138 -3,-1.7 4,-2.0 2,-0.2 5,-0.3 0.849 80.1 55.3 -79.2 -26.7 7.3 12.9 -12.5 325 326 A T H > S+ 0 0 66 -4,-0.3 4,-1.4 -3,-0.2 -1,-0.2 0.922 119.2 41.3 -64.9 -36.0 8.9 16.0 -11.0 326 327 A V H 4 S+ 0 0 11 2,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.973 117.5 41.0 -73.0 -58.3 11.9 14.6 -12.9 327 328 A V H < S+ 0 0 81 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.719 113.9 56.4 -65.5 -19.9 10.4 13.4 -16.2 328 329 A K H < 0 0 131 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.917 360.0 360.0 -75.7 -44.6 8.2 16.6 -16.3 329 330 A D < 0 0 133 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.726 360.0 360.0 -74.3 360.0 11.3 18.8 -16.0