==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-FEB-03 1OM1 . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,E.DE MOLINER,G.ZANOTTI . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 65.5 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 12.3 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 . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.9 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 0 2 1 1 0 1 0 1 0 1 1 0 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 7 A S 0 0 46 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.2 17.7 -10.8 -9.0 2 8 A K - 0 0 113 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.985 360.0 -84.2-149.4 157.6 16.7 -7.2 -8.8 3 9 A A - 0 0 0 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.325 26.3-144.3 -60.5 141.8 14.5 -4.9 -6.6 4 10 A R S S+ 0 0 152 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.598 85.6 33.7 -83.3 -12.8 10.8 -4.9 -7.6 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.969 119.9 11.8-140.5 155.0 10.6 -1.2 -6.7 6 12 A Y S > S+ 0 0 65 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.717 74.8 142.2 53.0 26.1 12.9 1.8 -6.8 7 13 A A T 3 + 0 0 17 1,-0.2 3,-0.3 -4,-0.2 -1,-0.1 0.828 69.2 43.3 -65.6 -32.6 15.4 -0.2 -9.0 8 14 A D T 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.1 3,-0.4 0.253 77.6 109.0-100.1 13.4 16.3 2.8 -11.2 9 15 A V H <> S+ 0 0 15 -3,-1.0 4,-1.0 1,-0.3 -1,-0.2 0.928 89.2 35.4 -54.8 -50.5 16.7 5.5 -8.5 10 16 A N H 4 S+ 0 0 4 166,-0.4 -1,-0.3 -4,-0.3 8,-0.2 0.609 112.4 62.0 -81.1 -10.6 20.5 5.7 -8.8 11 17 A V H 4 S+ 0 0 98 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.873 109.8 40.1 -77.7 -39.3 20.3 5.1 -12.5 12 18 A L H < S+ 0 0 132 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.1 0.670 103.7 82.3 -83.7 -20.5 18.3 8.3 -13.1 13 19 A R S < S- 0 0 79 -4,-1.0 5,-0.1 -5,-0.2 0, 0.0 -0.536 92.6 -86.7 -90.1 155.5 20.2 10.5 -10.6 14 20 A P >> - 0 0 77 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.206 37.2-117.5 -54.2 144.5 23.5 12.3 -11.2 15 21 A K H 3> S+ 0 0 124 1,-0.3 4,-2.8 2,-0.2 3,-0.3 0.820 113.3 68.2 -55.0 -31.8 26.6 10.3 -10.5 16 22 A E H 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.771 91.4 63.1 -59.1 -27.2 27.5 12.7 -7.7 17 23 A Y H <4 S+ 0 0 25 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.946 120.6 17.0 -64.1 -50.6 24.4 11.5 -5.8 18 24 A W H < S+ 0 0 69 -4,-0.7 2,-2.4 -3,-0.3 3,-0.2 0.588 98.7 94.5-100.9 -14.1 25.7 7.9 -5.3 19 25 A D >< + 0 0 32 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 -0.472 46.4 166.6 -80.1 73.8 29.4 8.2 -6.1 20 26 A Y G > + 0 0 13 -2,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.749 66.2 66.7 -60.9 -26.2 30.3 8.6 -2.4 21 27 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.772 94.5 58.7 -67.1 -24.8 34.0 8.0 -3.0 22 28 A A G < S+ 0 0 62 -3,-1.4 -1,-0.3 -6,-0.1 -2,-0.2 0.574 83.2 114.2 -80.3 -9.7 34.2 11.3 -5.0 23 29 A L < - 0 0 30 -3,-1.2 2,-0.6 -4,-0.3 50,-0.1 -0.339 53.2-156.9 -65.9 139.7 33.0 13.3 -2.0 24 30 A T - 0 0 92 -2,-0.1 -2,-0.1 49,-0.0 -1,-0.1 -0.958 24.0-126.9-119.5 108.7 35.3 15.8 -0.4 25 31 A V - 0 0 25 -2,-0.6 2,-1.0 1,-0.1 48,-0.0 -0.306 8.8-146.7 -59.4 132.2 34.3 16.3 3.3 26 32 A Q - 0 0 144 -2,-0.0 68,-0.3 69,-0.0 -1,-0.1 -0.786 24.6-148.3-101.1 86.7 33.8 20.0 4.3 27 33 A W - 0 0 82 -2,-1.0 68,-0.2 1,-0.1 3,-0.0 -0.303 10.9-158.8 -62.3 133.4 35.0 19.8 7.9 28 34 A G - 0 0 27 66,-3.3 2,-0.6 1,-0.1 68,-0.3 0.177 39.8 -60.9 -88.7-149.3 33.4 22.1 10.4 29 35 A E > - 0 0 120 1,-0.1 3,-1.6 66,-0.1 4,-0.3 -0.900 31.3-158.6-107.9 115.6 34.7 23.3 13.8 30 36 A Q G > S+ 0 0 66 -2,-0.6 3,-1.3 66,-0.3 -1,-0.1 0.837 93.1 62.6 -56.9 -34.4 35.4 20.6 16.4 31 37 A D G 3 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 22,-0.2 0.690 84.8 76.0 -65.9 -20.8 35.2 23.3 19.1 32 38 A D G < S+ 0 0 38 -3,-1.6 21,-2.5 1,-0.1 2,-0.5 0.731 95.7 51.8 -63.6 -22.5 31.6 24.0 18.2 33 39 A Y E < -A 52 0A 32 -3,-1.3 2,-0.4 -4,-0.3 19,-0.2 -0.962 65.7-168.3-126.8 125.5 30.4 20.9 20.0 34 40 A E E -A 51 0A 117 17,-2.2 17,-1.8 -2,-0.5 2,-0.3 -0.895 25.3-119.0-113.0 138.2 31.3 19.7 23.5 35 41 A V E +A 50 0A 74 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.537 30.5 173.0 -73.5 131.7 30.6 16.2 25.0 36 42 A V E - 0 0 84 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.811 63.7 -15.8-103.4 -52.4 28.2 16.2 28.0 37 43 A R E -A 49 0A 129 12,-1.6 12,-3.5 0, 0.0 -1,-0.4 -0.989 64.9-106.4-157.3 147.4 27.7 12.5 28.6 38 44 A K E +A 48 0A 107 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.511 34.1 169.5 -73.4 138.3 28.1 9.2 26.9 39 45 A V E - 0 0 65 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.550 57.7 -4.4-125.1 -16.0 24.9 7.6 25.8 40 46 A G E -A 47 0A 27 7,-2.0 7,-2.9 2,-0.0 -1,-0.3 -0.990 48.7-161.7-167.7 173.2 25.9 4.7 23.6 41 47 A R E +A 46 0A 182 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.983 7.4 173.4-163.4 155.1 28.6 2.6 21.9 42 48 A G E > -A 45 0A 30 3,-2.9 3,-0.6 -2,-0.3 -2,-0.0 -0.879 53.6 -86.1-151.8 178.6 29.2 0.1 19.2 43 49 A K T 3 S+ 0 0 138 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.628 127.9 39.9 -71.6 -8.5 32.2 -1.6 17.5 44 50 A Y T 3 S+ 0 0 105 1,-0.2 21,-2.1 20,-0.0 2,-0.3 0.469 123.4 4.1-116.7 -5.2 32.4 1.3 15.1 45 51 A S E < -AB 42 64A 4 -3,-0.6 -3,-2.9 19,-0.3 2,-0.4 -0.992 52.6-128.0-168.4 170.2 31.8 4.3 17.3 46 52 A E E -AB 41 63A 75 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.989 30.0-149.7-127.8 134.4 31.1 5.9 20.7 47 53 A V E +AB 40 62A 30 -7,-2.9 -8,-3.0 -2,-0.4 -7,-2.0 -0.914 15.5 179.4-116.7 138.0 28.1 8.1 21.1 48 54 A F E -AB 38 61A 26 13,-2.5 13,-3.1 -2,-0.4 2,-0.4 -0.926 32.3-120.4-132.9 155.2 27.6 11.1 23.4 49 55 A E E +AB 37 60A 17 -12,-3.5 -13,-2.9 -2,-0.3 -12,-1.6 -0.781 49.3 173.2 -87.3 137.2 24.9 13.7 24.2 50 56 A G E -AB 35 59A 1 9,-3.3 9,-1.5 -2,-0.4 2,-0.4 -0.692 27.8-121.2-134.9-170.9 26.6 17.0 23.5 51 57 A I E -AB 34 58A 46 -17,-1.8 -17,-2.2 7,-0.2 2,-0.8 -1.000 16.6-129.9-140.8 139.0 26.0 20.7 23.3 52 58 A N E > -A 33 0A 24 5,-2.6 4,-2.4 -2,-0.4 5,-0.4 -0.813 20.7-154.1 -85.8 111.5 26.4 23.3 20.5 53 59 A V T 4 S+ 0 0 52 -21,-2.5 -1,-0.1 -2,-0.8 -20,-0.1 0.645 87.7 57.9 -64.4 -14.9 28.4 26.0 22.2 54 60 A N T 4 S+ 0 0 107 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.933 126.8 11.8 -80.7 -49.2 27.0 28.6 19.8 55 61 A N T 4 S- 0 0 83 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.423 95.3-129.4-107.6 -3.0 23.3 28.2 20.4 56 62 A N < + 0 0 116 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.712 58.0 142.1 61.4 24.1 23.5 26.1 23.5 57 63 A E - 0 0 132 -5,-0.4 -5,-2.6 1,-0.1 -1,-0.2 -0.667 54.9-101.2 -95.8 153.3 21.2 23.4 22.1 58 64 A K E +B 51 0A 103 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.230 45.4 165.2 -67.5 158.4 21.6 19.7 22.6 59 65 A C E -BC 50 108A 4 -9,-1.5 -9,-3.3 49,-0.2 2,-0.5 -0.941 35.5-108.0-160.8 173.0 23.0 17.4 19.9 60 66 A I E -BC 49 107A 21 47,-2.5 47,-2.8 -2,-0.3 2,-0.6 -0.966 23.7-157.7-116.7 131.4 24.4 14.0 19.5 61 67 A I E -BC 48 106A 6 -13,-3.1 -13,-2.5 -2,-0.5 2,-0.8 -0.938 4.2-167.8-113.1 113.2 28.1 13.5 18.9 62 68 A K E -BC 47 105A 11 43,-2.8 43,-2.5 -2,-0.6 2,-0.7 -0.878 7.1-161.2-102.3 106.1 29.1 10.2 17.3 63 69 A I E -BC 46 104A 48 -17,-2.6 -17,-1.9 -2,-0.8 41,-0.2 -0.788 15.3-138.6 -91.6 116.5 32.8 9.8 17.5 64 70 A L E -B 45 0A 9 39,-2.3 -19,-0.3 -2,-0.7 3,-0.1 -0.503 6.3-131.4 -80.0 138.8 34.0 7.2 15.0 65 71 A K - 0 0 81 -21,-2.1 -1,-0.1 -2,-0.2 2,-0.0 -0.430 54.8 -64.9 -78.1 160.1 36.6 4.6 15.7 66 72 A P S S+ 0 0 137 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.245 76.1 147.5 -51.8 119.5 39.5 4.3 13.2 67 73 A V - 0 0 75 -3,-0.1 5,-0.1 -2,-0.0 -3,-0.0 -0.968 49.7 -69.4-150.1 164.7 38.2 3.1 9.9 68 74 A K > - 0 0 167 -2,-0.3 4,-1.6 1,-0.1 3,-0.4 -0.182 37.5-124.6 -58.7 144.1 38.8 3.4 6.1 69 75 A K H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.833 108.6 60.6 -56.7 -36.7 38.1 6.7 4.4 70 76 A K H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 105.7 45.9 -60.0 -44.8 35.8 5.0 1.9 71 77 A K H > S+ 0 0 41 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.851 111.0 51.9 -69.1 -35.4 33.4 3.8 4.6 72 78 A I H X S+ 0 0 17 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.879 110.1 48.9 -70.6 -34.5 33.3 7.2 6.3 73 79 A K H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.852 107.5 56.9 -70.7 -33.3 32.5 8.9 3.1 74 80 A R H X S+ 0 0 32 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.957 109.1 44.0 -61.8 -49.8 29.7 6.4 2.4 75 81 A E H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 114.9 49.3 -63.0 -42.9 28.0 7.1 5.7 76 82 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.929 111.4 48.0 -62.5 -46.4 28.3 10.9 5.3 77 83 A K H X S+ 0 0 36 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.909 112.7 48.6 -62.2 -42.9 27.0 10.9 1.7 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.914 111.4 49.8 -64.5 -42.0 24.0 8.7 2.7 79 85 A L H X S+ 0 0 1 -4,-2.3 4,-1.3 -5,-0.2 12,-0.3 0.899 111.8 48.4 -63.6 -40.5 23.2 10.9 5.7 80 86 A Q H < S+ 0 0 87 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.914 111.5 49.9 -66.3 -41.3 23.4 14.0 3.5 81 87 A N H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.9 40.8 -65.8 -33.3 21.1 12.5 0.8 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.5 -5,-0.2 -1,-0.2 0.576 81.8 127.8 -92.9 -11.2 18.5 11.4 3.4 83 89 A C T 3< S+ 0 0 52 -4,-1.3 7,-0.1 1,-0.3 6,-0.1 -0.196 75.8 22.7 -49.9 128.5 18.6 14.5 5.6 84 90 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.252 92.9 131.5 97.4 -12.0 15.0 15.9 6.0 85 91 A G S X S- 0 0 8 -3,-2.5 3,-1.7 4,-0.2 -1,-0.3 -0.313 72.7 -71.7 -73.1 159.2 13.4 12.5 5.3 86 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 55,-0.2 -0.286 110.8 -17.9 -53.8 117.3 10.6 11.0 7.5 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.6 -2,-0.1 2,-0.4 0.695 98.2 137.8 56.2 25.6 12.1 9.8 10.8 88 94 A I B < -e 167 0B 2 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.2 -0.829 62.7-104.9 -98.7 136.9 15.6 9.8 9.5 89 95 A V - 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0 0 48 -5,-0.2 -5,-2.1 -36,-0.1 -1,-0.2 -0.606 27.9-137.4 -72.2 119.0 39.4 11.4 14.7 103 109 A P E - D 0 96A 24 0, 0.0 -39,-2.3 0, 0.0 2,-0.4 -0.525 18.3-166.4 -83.9 149.6 36.1 12.3 13.0 104 110 A S E -CD 63 95A 4 -9,-3.1 -9,-2.2 -41,-0.2 2,-0.5 -0.995 11.8-146.0-132.1 136.4 32.8 13.0 14.7 105 111 A L E -CD 62 94A 0 -43,-2.5 -43,-2.8 -2,-0.4 2,-0.5 -0.909 16.1-148.1-103.4 129.1 29.4 13.2 13.1 106 112 A I E -CD 61 93A 0 -13,-2.9 -14,-3.0 -2,-0.5 -13,-1.5 -0.870 20.0-178.0-102.4 127.4 27.1 15.7 14.8 107 113 A F E -CD 60 91A 15 -47,-2.8 -47,-2.5 -2,-0.5 -16,-0.2 -0.829 36.2 -92.6-123.5 160.3 23.3 15.0 14.8 108 114 A E E -C 59 0A 78 -18,-2.0 -49,-0.2 -2,-0.3 -18,-0.2 -0.384 64.2 -90.2 -62.7 146.9 20.1 16.7 15.9 109 115 A Y - 0 0 53 -51,-0.6 2,-0.4 -50,-0.1 -1,-0.1 -0.344 47.1-179.4 -66.5 142.7 19.4 15.5 19.5 110 116 A V - 0 0 17 -3,-0.1 2,-0.1 -51,-0.1 48,-0.1 -0.973 14.8-148.7-143.3 123.6 17.3 12.4 20.0 111 117 A N - 0 0 67 -2,-0.4 2,-0.3 46,-0.1 53,-0.0 -0.421 22.9-177.3 -84.7 168.7 16.4 11.0 23.4 112 118 A N - 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0 0 88 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.844 50.8-146.2-140.6 96.7 10.8 -13.1 22.4 224 230 A E S S+ 0 0 77 -2,-0.3 2,-0.1 1,-0.2 -9,-0.1 -0.960 86.8 23.5-116.5 122.5 14.0 -11.0 21.7 225 231 A P S S- 0 0 19 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.616 78.6-163.0 -82.9 154.7 15.7 -12.0 19.6 226 232 A F S S+ 0 0 11 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.944 88.5 38.8 -64.9 -46.9 13.1 -14.0 17.7 227 233 A F S S- 0 0 3 -37,-0.3 2,-1.0 2,-0.0 -1,-0.3 -0.883 79.7-171.8-106.2 100.7 15.7 -16.0 15.8 228 234 A Y + 0 0 109 -2,-0.8 2,-0.3 -3,-0.2 -38,-0.0 -0.675 14.8 162.3-100.2 82.3 18.5 -16.7 18.3 229 235 A G - 0 0 0 -2,-1.0 6,-0.1 1,-0.1 -39,-0.1 -0.739 33.3-148.1 -98.3 147.7 21.4 -18.2 16.5 230 236 A H S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.866 81.6 7.3 -81.7 -38.9 25.0 -18.3 17.9 231 237 A D S > S- 0 0 82 -42,-0.1 4,-2.2 1,-0.0 -1,-0.1 -0.805 92.9 -88.1-132.5 175.4 26.9 -18.0 14.7 232 238 A N H > S+ 0 0 41 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.828 126.4 50.1 -57.6 -34.7 25.9 -17.4 11.1 233 239 A H H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.947 111.5 47.8 -68.2 -46.4 25.3 -21.1 10.4 234 240 A D H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.836 103.8 63.4 -62.1 -34.1 23.1 -21.5 13.5 235 241 A Q H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.914 104.8 45.1 -58.6 -43.7 21.2 -18.4 12.5 236 242 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.870 110.5 55.7 -68.5 -35.0 19.9 -20.1 9.3 237 243 A V H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.940 106.4 49.2 -61.4 -47.8 19.1 -23.2 11.4 238 244 A K H < S+ 0 0 51 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.882 112.5 48.3 -59.7 -40.2 16.9 -21.3 13.8 239 245 A I H >X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 3,-1.4 0.934 109.9 52.4 -65.5 -45.3 15.1 -19.7 10.9 240 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.861 102.1 58.9 -59.4 -38.0 14.7 -23.1 9.2 241 247 A K H 3< S+ 0 0 91 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.669 116.1 36.1 -67.0 -15.5 13.1 -24.6 12.3 242 248 A V H <4 S+ 0 0 16 -3,-1.4 31,-2.9 -4,-0.5 -2,-0.2 0.859 125.6 32.6-100.4 -58.3 10.4 -22.0 12.1 243 249 A L H < S- 0 0 17 -4,-2.7 4,-0.3 29,-0.2 29,-0.2 0.694 111.0-120.2 -74.6 -17.9 9.7 -21.4 8.4 244 250 A G X - 0 0 3 -4,-1.9 4,-0.7 -5,-0.5 27,-0.2 0.152 12.6-100.3 91.4 149.3 10.4 -25.0 7.6 245 251 A T H > S+ 0 0 3 25,-2.5 4,-2.3 1,-0.2 5,-0.2 0.702 110.7 71.9 -78.9 -20.6 13.0 -26.5 5.2 246 252 A D H > S+ 0 0 113 24,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.930 101.5 43.9 -60.5 -45.4 10.5 -27.0 2.3 247 253 A G H > S+ 0 0 32 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.806 110.7 56.7 -69.2 -29.0 10.3 -23.3 1.6 248 254 A L H X S+ 0 0 0 -4,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.910 106.6 48.5 -68.0 -42.2 14.1 -23.0 2.0 249 255 A N H X S+ 0 0 79 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.871 109.4 52.2 -66.4 -36.6 14.7 -25.6 -0.7 250 256 A V H X S+ 0 0 100 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.917 112.9 47.1 -63.5 -41.9 12.2 -23.8 -3.0 251 257 A Y H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.949 111.5 48.7 -62.7 -53.3 14.2 -20.6 -2.4 252 258 A L H <>S+ 0 0 13 -4,-3.0 5,-3.0 1,-0.2 -1,-0.2 0.864 113.7 46.7 -57.8 -39.7 17.6 -22.2 -2.9 253 259 A N H ><5S+ 0 0 115 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.895 107.8 56.2 -71.5 -39.4 16.5 -23.8 -6.2 254 260 A K H 3<5S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.892 118.1 33.3 -59.0 -41.9 14.9 -20.6 -7.5 255 261 A Y T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.230 109.9-121.5 -99.5 13.1 18.1 -18.6 -7.1 256 262 A R T < 5 + 0 0 223 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.899 53.8 162.2 48.2 51.2 20.4 -21.6 -7.9 257 263 A I < - 0 0 22 -5,-3.0 2,-0.6 -6,-0.1 -1,-0.2 -0.846 29.8-152.8-104.0 136.4 22.2 -21.5 -4.6 258 264 A E - 0 0 165 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.947 15.9-139.1-110.6 119.3 24.2 -24.4 -3.3 259 265 A L - 0 0 19 -2,-0.6 -61,-0.1 1,-0.1 -60,-0.0 -0.438 31.7 -95.8 -74.0 147.3 24.4 -24.5 0.5 260 266 A D > - 0 0 83 1,-0.2 4,-3.4 -2,-0.1 3,-0.4 -0.467 35.0-124.8 -61.7 132.7 27.8 -25.5 2.1 261 267 A P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.855 112.6 53.3 -48.3 -38.1 27.5 -29.2 2.8 262 268 A Q H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.924 112.7 42.5 -63.5 -45.8 28.3 -28.5 6.4 263 269 A L H > S+ 0 0 2 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.903 111.8 54.8 -67.6 -42.0 25.6 -25.9 6.6 264 270 A E H X S+ 0 0 123 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.882 108.3 50.2 -58.4 -38.5 23.2 -28.1 4.7 265 271 A A H < S+ 0 0 77 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.913 110.2 49.3 -66.4 -43.4 23.9 -30.9 7.3 266 272 A L H < S+ 0 0 95 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.0 51.3 -63.4 -40.8 23.2 -28.5 10.2 267 273 A V H < S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.908 81.9 162.8 -64.9 -44.1 19.9 -27.3 8.7 268 274 A G < - 0 0 44 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.1 -0.283 50.2 -43.5 62.1-142.8 18.5 -30.8 8.2 269 275 A R + 0 0 197 -25,-0.0 2,-0.3 -24,-0.0 -1,-0.1 -0.994 60.7 167.2-130.2 130.0 14.8 -31.1 7.6 270 276 A H - 0 0 55 -2,-0.4 -25,-2.5 -30,-0.1 -24,-0.6 -1.000 29.2-127.6-144.7 142.8 12.0 -29.3 9.5 271 277 A S - 0 0 99 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.461 43.4 -91.4 -82.8 160.4 8.3 -28.8 9.2 272 278 A R - 0 0 124 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.528 32.1-142.2 -75.5 135.9 6.9 -25.2 9.3 273 279 A K - 0 0 83 -31,-2.9 5,-0.1 -2,-0.2 -1,-0.0 -0.885 22.8-123.6-101.2 113.0 5.8 -24.0 12.8 274 280 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.165 16.7-121.7 -53.4 145.9 2.6 -21.9 12.5 275 281 A W G > S+ 0 0 8 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.817 108.6 67.6 -59.5 -32.0 2.9 -18.4 14.0 276 282 A L G > S+ 0 0 110 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.749 87.2 67.0 -61.6 -24.7 0.0 -19.2 16.4 277 283 A K G < S+ 0 0 144 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.545 91.5 63.2 -75.4 -4.6 2.1 -21.7 18.2 278 284 A F G < S+ 0 0 30 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.491 81.6 104.5 -93.9 -6.3 4.3 -18.8 19.4 279 285 A M < + 0 0 74 -3,-1.4 2,-0.3 -4,-0.2 -58,-0.1 -0.558 43.5 152.0 -79.3 139.2 1.4 -17.3 21.3 280 286 A N >> - 0 0 76 -2,-0.2 4,-1.7 -59,-0.0 3,-1.7 -0.909 61.7 -77.5-153.0 177.2 1.4 -17.7 25.1 281 287 A A T 34 S+ 0 0 88 -2,-0.3 4,-0.2 1,-0.3 -2,-0.0 0.756 125.4 57.4 -54.4 -27.3 0.2 -16.0 28.3 282 288 A D T 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.695 121.0 22.7 -79.9 -20.1 3.0 -13.5 28.0 283 289 A N T X> S+ 0 0 0 -3,-1.7 3,-2.5 -62,-0.1 4,-1.3 0.376 86.0 107.1-127.7 3.4 2.2 -12.2 24.5 284 290 A Q T 3< S+ 0 0 132 -4,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.792 77.5 60.9 -53.7 -31.2 -1.5 -13.0 24.1 285 291 A H T 34 S+ 0 0 114 -4,-0.2 -1,-0.3 1,-0.2 -161,-0.2 0.589 112.4 37.6 -73.4 -10.1 -2.4 -9.3 24.4 286 292 A L T <4 S+ 0 0 4 -3,-2.5 2,-1.1 -66,-0.3 -2,-0.2 0.574 90.8 92.1-116.1 -15.5 -0.3 -8.5 21.3 287 293 A V < + 0 0 18 -4,-1.3 -1,-0.1 -67,-0.1 -4,-0.0 -0.703 50.7 161.5 -89.8 96.0 -0.9 -11.4 19.0 288 294 A S > - 0 0 23 -2,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.716 52.2-110.8-108.7 159.9 -3.8 -10.4 16.7 289 295 A P H > S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.871 119.8 51.2 -57.6 -37.1 -4.8 -11.9 13.4 290 296 A E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.896 108.9 49.8 -68.7 -39.9 -3.8 -8.7 11.6 291 297 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 112.8 47.8 -64.2 -42.4 -0.4 -8.7 13.3 292 298 A I H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.901 110.6 50.4 -65.4 -42.8 0.2 -12.3 12.3 293 299 A D H X S+ 0 0 56 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.911 112.7 47.4 -62.0 -42.1 -0.9 -11.7 8.7 294 300 A F H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 3,-0.4 0.939 112.6 48.4 -64.3 -46.6 1.5 -8.7 8.5 295 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-1.7 0.912 107.6 56.8 -59.1 -43.5 4.4 -10.6 10.0 296 302 A D H 3< S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 104.1 52.1 -58.2 -35.6 3.8 -13.6 7.7 297 303 A K T 3< S+ 0 0 73 -4,-1.4 10,-1.8 -3,-0.4 -1,-0.3 0.505 113.1 45.9 -81.3 -3.5 4.1 -11.3 4.7 298 304 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.8 -4,-0.4 -2,-0.2 0.822 101.0 62.9-101.1 -49.0 7.5 -10.0 5.9 299 305 A L < + 0 0 2 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.530 69.4 135.7 -84.7 77.4 9.3 -13.2 7.0 300 306 A R - 0 0 67 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.958 56.6-135.8-120.9 137.6 9.5 -15.0 3.7 301 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.953 93.2 74.2 -55.3 -50.4 12.7 -16.7 2.5 302 308 A D S >> S- 0 0 8 1,-0.2 3,-1.7 -3,-0.1 4,-0.7 -0.545 71.4-158.4 -71.2 109.9 12.3 -15.2 -0.9 303 309 A H G >4 S+ 0 0 2 -2,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.820 91.9 60.0 -58.7 -32.5 13.2 -11.6 -0.7 304 310 A Q G 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.703 102.0 55.9 -69.6 -16.3 11.2 -10.8 -3.8 305 311 A E G <4 S+ 0 0 103 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.681 85.9 101.4 -86.3 -23.6 8.1 -12.2 -2.0 306 312 A R S << S- 0 0 4 -4,-0.7 -8,-0.2 -3,-0.6 -9,-0.1 -0.240 83.7 -96.8 -65.9 152.9 8.3 -9.8 1.0 307 313 A L - 0 0 26 -10,-1.8 2,-0.1 -13,-0.2 -1,-0.1 -0.386 37.9-124.9 -64.2 144.1 6.1 -6.8 1.3 308 314 A T > - 0 0 25 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.439 29.0-105.6 -81.8 166.7 7.8 -3.6 0.2 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -170,-0.2 0.900 122.5 52.7 -61.9 -37.0 7.9 -0.8 2.9 310 316 A L H > S+ 0 0 92 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.903 111.4 44.8 -64.8 -43.0 5.2 1.0 0.9 311 317 A E H >> S+ 0 0 81 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.917 109.0 57.6 -66.0 -44.6 2.9 -2.0 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 6,-0.2 0.900 100.4 57.3 -52.4 -46.1 3.5 -2.7 4.5 313 319 A M H 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 105.5 51.2 -58.5 -27.3 2.3 0.7 5.5 314 320 A T H << S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.517 79.4 121.5 -90.1 -5.3 -1.1 0.0 3.8 315 321 A H S X< S- 0 0 11 -3,-1.5 3,-2.2 -4,-0.6 4,-0.1 -0.310 75.5-118.2 -58.4 138.4 -1.7 -3.3 5.5 316 322 A P G > S+ 0 0 70 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.738 107.6 78.4 -50.5 -25.3 -5.0 -3.2 7.5 317 323 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.857 98.9 42.2 -52.9 -35.5 -3.0 -3.8 10.7 318 324 A F G <> S+ 0 0 0 -3,-2.2 4,-2.3 -6,-0.2 -1,-0.3 0.218 80.1 116.7 -96.8 14.3 -2.0 -0.1 10.6 319 325 A Q H <> S+ 0 0 119 -3,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.851 77.2 44.8 -54.8 -39.4 -5.5 1.1 9.7 320 326 A Q H > S+ 0 0 117 -3,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.874 110.3 55.3 -72.8 -35.9 -6.1 3.1 12.9 321 327 A V H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.9 43.0 -61.3 -41.5 -2.6 4.6 12.7 322 328 A R H < S+ 0 0 79 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.944 113.0 50.8 -68.5 -49.6 -3.4 5.9 9.2 323 329 A A H < S+ 0 0 79 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.905 114.3 45.6 -54.7 -42.4 -6.9 7.0 10.1 324 330 A A H < 0 0 75 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.897 360.0 360.0 -68.3 -41.1 -5.5 8.9 13.0 325 331 A E < 0 0 128 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.0 0.480 360.0 360.0 -90.7 360.0 -2.6 10.4 11.0