==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-02 1M2P . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.DE MOLINER,S.MORO,S.SARNO,G.ZAGOTTO,G.ZANOTTI,L.A.PINNA, . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.8 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 . 41 12.6 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 . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.9 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 . 6 1.8 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 1 1 1 0 1 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 1 2 0 0 2 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 47 0, 0.0 178,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.4 17.9 -10.8 -8.9 2 8 A K - 0 0 103 176,-0.1 202,-0.1 177,-0.1 5,-0.0 -0.953 360.0 -86.8-139.8 158.6 16.8 -7.2 -8.8 3 9 A A - 0 0 3 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.326 26.5-141.9 -61.8 146.8 14.6 -5.0 -6.6 4 10 A R S S+ 0 0 154 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.563 86.0 33.5 -86.6 -10.5 10.9 -5.1 -7.6 5 11 A V S S+ 0 0 57 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.968 119.4 10.8-143.4 156.4 10.7 -1.4 -6.7 6 12 A Y S > S+ 0 0 69 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 0.681 74.9 143.7 49.3 23.4 12.9 1.8 -6.9 7 13 A A T 3 + 0 0 18 1,-0.2 3,-0.3 -4,-0.1 4,-0.1 0.806 67.8 43.2 -59.6 -33.9 15.4 -0.2 -8.9 8 14 A D T 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.203 77.5 109.4-100.8 14.9 16.5 2.7 -11.2 9 15 A V H <> S+ 0 0 15 -3,-1.2 4,-0.9 1,-0.2 3,-0.2 0.936 89.2 34.9 -55.0 -51.6 16.8 5.4 -8.6 10 16 A N H 4 S+ 0 0 4 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.653 112.0 63.4 -78.2 -16.9 20.5 5.6 -8.8 11 17 A V H 4 S+ 0 0 99 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.839 110.0 38.8 -73.5 -33.9 20.5 4.9 -12.5 12 18 A L H < S+ 0 0 132 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.630 103.4 82.5 -91.5 -18.2 18.5 8.2 -13.1 13 19 A R S < S- 0 0 83 -4,-0.9 5,-0.1 -5,-0.2 0, 0.0 -0.642 91.8 -90.7 -91.6 148.4 20.4 10.4 -10.6 14 20 A P >> - 0 0 77 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.126 36.8-111.3 -54.0 148.5 23.7 12.1 -11.3 15 21 A K H 3> S+ 0 0 128 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.804 114.7 65.2 -52.2 -34.7 26.9 10.2 -10.4 16 22 A E H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.835 92.2 64.6 -59.7 -33.4 27.7 12.6 -7.6 17 23 A Y H <4 S+ 0 0 24 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.921 122.2 14.8 -56.2 -49.0 24.5 11.4 -5.7 18 24 A W H < S+ 0 0 67 -4,-0.7 2,-2.4 -3,-0.4 3,-0.2 0.590 99.9 95.7-105.6 -13.8 25.8 7.9 -5.2 19 25 A D >< + 0 0 32 -4,-2.9 3,-0.9 -5,-0.2 -1,-0.1 -0.492 44.6 161.6 -78.3 77.3 29.5 8.2 -6.0 20 26 A Y G > + 0 0 15 -2,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.808 62.9 69.1 -69.2 -30.3 30.5 8.6 -2.3 21 27 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.774 95.4 58.4 -59.3 -23.9 34.1 7.7 -2.9 22 28 A A G < S+ 0 0 65 -3,-0.9 -1,-0.3 -6,-0.1 2,-0.3 0.198 82.5 120.2 -91.7 16.8 34.4 11.0 -4.7 23 29 A L < - 0 0 24 -3,-2.1 2,-0.6 1,-0.0 50,-0.1 -0.601 48.0-160.5 -83.3 140.7 33.2 13.0 -1.7 24 30 A T - 0 0 102 -2,-0.3 -2,-0.1 49,-0.0 -3,-0.0 -0.934 23.5-130.7-124.2 104.5 35.5 15.7 -0.2 25 31 A V - 0 0 28 -2,-0.6 2,-1.0 1,-0.1 48,-0.0 -0.265 4.0-143.2 -58.9 133.2 34.4 16.4 3.4 26 32 A Q - 0 0 149 69,-0.0 68,-0.3 -2,-0.0 2,-0.2 -0.811 25.7-147.2 -97.9 89.0 33.9 20.0 4.4 27 33 A W - 0 0 85 -2,-1.0 68,-0.2 1,-0.1 3,-0.0 -0.394 13.5-158.5 -64.2 129.1 35.2 19.8 8.0 28 34 A G - 0 0 27 66,-3.2 2,-0.7 -2,-0.2 68,-0.3 0.107 36.8 -59.2 -88.1-154.8 33.5 22.1 10.4 29 35 A E > - 0 0 118 1,-0.1 3,-1.6 66,-0.1 4,-0.3 -0.838 33.3-162.6-100.0 112.8 34.7 23.5 13.8 30 36 A Q G > S+ 0 0 70 -2,-0.7 3,-1.0 66,-0.3 -1,-0.1 0.762 89.7 62.9 -61.3 -27.5 35.5 20.9 16.5 31 37 A D G 3 S+ 0 0 132 1,-0.2 -1,-0.3 3,-0.0 22,-0.1 0.635 85.3 75.7 -74.5 -14.1 35.2 23.6 19.2 32 38 A D G < S+ 0 0 39 -3,-1.6 21,-3.1 1,-0.1 22,-0.4 0.729 94.7 55.6 -69.0 -21.0 31.6 24.2 18.4 33 39 A Y E < -A 52 0A 35 -3,-1.0 2,-0.4 -4,-0.3 19,-0.2 -0.945 63.4-168.8-124.6 132.1 30.6 21.0 20.2 34 40 A E E -A 51 0A 114 17,-2.2 17,-1.7 -2,-0.4 2,-0.2 -0.937 24.4-122.2-117.9 138.2 31.2 19.7 23.7 35 41 A V E +A 50 0A 78 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.540 29.8 172.1 -74.0 137.2 30.7 16.3 25.2 36 42 A V E - 0 0 82 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.707 63.8 -17.7-112.9 -41.7 28.3 16.3 28.2 37 43 A R E -A 49 0A 143 12,-1.7 12,-3.6 0, 0.0 -1,-0.4 -0.964 63.6-108.1-167.0 146.0 27.8 12.6 28.8 38 44 A K E +A 48 0A 98 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.497 32.3 169.9 -76.5 149.8 28.2 9.2 27.1 39 45 A V E - 0 0 73 8,-3.2 2,-0.3 1,-0.3 9,-0.2 0.425 57.1 -3.8-137.6 -8.7 25.0 7.5 26.0 40 46 A G E -A 47 0A 25 7,-1.7 7,-1.9 2,-0.0 -1,-0.3 -0.988 48.7-159.5-171.4 177.9 26.0 4.6 23.9 41 47 A R E +A 46 0A 184 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.971 5.9 178.6-169.7 154.2 28.7 2.6 22.1 42 48 A G E > -A 45 0A 29 3,-2.9 3,-1.0 -2,-0.3 -2,-0.0 -0.918 51.4 -88.7-151.8 172.8 29.2 0.1 19.3 43 49 A K T 3 S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.645 128.0 38.7 -64.9 -12.1 32.1 -1.7 17.6 44 50 A Y T 3 S+ 0 0 100 1,-0.2 21,-2.5 20,-0.0 2,-0.3 0.452 123.0 3.4-117.0 -2.3 32.5 1.2 15.3 45 51 A S E < -AB 42 64A 6 -3,-1.0 -3,-2.9 19,-0.3 2,-0.4 -0.998 52.7-123.6-171.8 169.8 31.9 4.2 17.5 46 52 A E E -AB 41 63A 73 17,-2.2 17,-2.6 -2,-0.3 2,-0.4 -0.988 27.8-149.7-126.2 135.5 31.1 5.9 20.8 47 53 A V E +AB 40 62A 32 -7,-1.9 -8,-3.2 -2,-0.4 -7,-1.7 -0.912 14.8 179.8-117.8 134.9 28.1 8.2 21.3 48 54 A F E -AB 38 61A 27 13,-2.6 13,-3.2 -2,-0.4 2,-0.5 -0.925 32.4-121.0-130.6 151.3 27.7 11.2 23.6 49 55 A E E +AB 37 60A 23 -12,-3.6 -13,-2.8 -2,-0.3 -12,-1.7 -0.765 49.7 177.0 -83.9 132.3 25.0 13.7 24.4 50 56 A G E -AB 35 59A 0 9,-3.2 9,-1.7 -2,-0.5 2,-0.3 -0.634 27.2-125.6-129.2-172.2 26.6 17.0 23.6 51 57 A I E -AB 34 58A 46 -17,-1.7 -17,-2.2 7,-0.3 2,-0.8 -0.998 17.2-130.3-142.4 133.3 26.0 20.8 23.5 52 58 A N E >> -AB 33 57A 24 5,-3.3 4,-2.1 -2,-0.3 5,-0.6 -0.768 20.5-153.7 -81.6 114.4 26.4 23.2 20.6 53 59 A V T 45S+ 0 0 63 -21,-3.1 -1,-0.2 -2,-0.8 -20,-0.1 0.793 87.7 58.0 -62.7 -30.7 28.4 26.0 22.3 54 60 A N T 45S+ 0 0 111 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.935 128.2 11.4 -66.7 -48.0 27.1 28.7 19.9 55 61 A N T 45S- 0 0 82 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.325 94.8-123.3-114.1 5.2 23.4 28.3 20.7 56 62 A N T <5 + 0 0 116 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.775 58.6 155.3 57.8 27.5 23.6 26.0 23.8 57 63 A E E < -B 52 0A 120 -5,-0.6 -5,-3.3 1,-0.1 -1,-0.2 -0.670 46.5-115.5 -87.3 137.8 21.5 23.5 21.9 58 64 A K E +B 51 0A 92 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.324 44.5 165.2 -67.6 155.7 21.7 19.8 22.8 59 65 A C E -BC 50 108A 4 -9,-1.7 -9,-3.2 49,-0.2 2,-0.5 -0.934 36.3-104.2-157.9 178.5 23.1 17.5 20.1 60 66 A I E -BC 49 107A 18 47,-2.0 47,-2.6 -2,-0.3 2,-0.6 -0.967 24.3-158.9-118.6 129.8 24.4 14.0 19.6 61 67 A I E -BC 48 106A 8 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.8 -0.930 4.8-170.4-115.1 112.0 28.2 13.5 19.1 62 68 A K E -BC 47 105A 12 43,-2.5 43,-2.4 -2,-0.6 2,-0.7 -0.871 7.2-162.3-102.2 102.4 29.2 10.2 17.4 63 69 A I E -BC 46 104A 48 -17,-2.6 -17,-2.2 -2,-0.8 41,-0.2 -0.779 17.8-136.3 -89.0 117.3 32.9 9.8 17.6 64 70 A L E -B 45 0A 12 39,-2.4 -19,-0.3 -2,-0.7 3,-0.1 -0.492 7.1-130.6 -79.3 140.3 34.0 7.2 15.0 65 71 A K - 0 0 80 -21,-2.5 -1,-0.1 -2,-0.2 -22,-0.0 -0.510 52.4 -67.4 -81.0 154.8 36.5 4.4 15.8 66 72 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.171 75.6 145.8 -48.4 121.8 39.4 4.0 13.3 67 73 A V - 0 0 41 -3,-0.1 5,-0.1 -23,-0.0 -3,-0.0 -0.975 52.2 -65.4-154.4 163.9 38.1 2.7 10.0 68 74 A K >> - 0 0 153 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.196 41.5-124.7 -56.5 139.3 38.8 3.0 6.2 69 75 A K H 3> S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.811 109.1 59.6 -53.1 -36.0 38.2 6.4 4.6 70 76 A K H 3> S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 102.1 51.3 -62.0 -45.5 35.8 4.9 2.1 71 77 A K H <> S+ 0 0 38 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.853 110.1 50.1 -61.1 -38.3 33.4 3.7 4.8 72 78 A I H X S+ 0 0 27 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.866 110.1 48.5 -69.8 -38.1 33.3 7.1 6.5 73 79 A K H X S+ 0 0 33 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.857 109.8 55.8 -67.9 -36.1 32.6 8.9 3.2 74 80 A R H X S+ 0 0 31 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.968 108.4 44.4 -60.0 -54.3 29.9 6.4 2.6 75 81 A E H X S+ 0 0 10 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.893 115.6 49.0 -60.0 -41.1 28.0 7.0 5.9 76 82 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.921 110.6 48.8 -63.8 -47.6 28.3 10.8 5.4 77 83 A K H X S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 112.2 48.4 -59.8 -46.4 27.0 10.8 1.8 78 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.896 111.3 51.0 -62.5 -38.7 24.0 8.7 2.7 79 85 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 -5,-0.2 12,-0.3 0.874 110.5 48.2 -66.1 -37.9 23.3 10.9 5.7 80 86 A Q H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.1 50.6 -71.1 -34.7 23.4 14.0 3.5 81 87 A N H < S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.828 117.0 38.5 -71.4 -34.5 21.2 12.4 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.7 -5,-0.2 -2,-0.2 0.672 81.7 126.6 -92.1 -17.6 18.5 11.3 3.5 83 89 A C T 3< S+ 0 0 55 -4,-1.7 7,-0.1 1,-0.3 6,-0.1 -0.128 77.0 23.5 -44.5 125.2 18.6 14.5 5.7 84 90 A G T 3 S+ 0 0 52 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.189 91.5 127.2 100.9 -16.5 15.0 15.8 6.1 85 91 A G S X S- 0 0 8 -3,-2.7 3,-1.5 1,-0.1 -1,-0.4 -0.297 75.6 -72.3 -69.7 161.8 13.3 12.5 5.3 86 92 A P T 3 S- 0 0 58 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.349 110.5 -13.7 -60.1 120.2 10.6 11.2 7.7 87 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.5 -2,-0.2 2,-0.5 0.711 95.2 139.6 62.2 23.4 12.1 9.8 10.9 88 94 A I B < -e 167 0B 3 -3,-1.5 -4,-0.4 78,-0.2 -1,-0.2 -0.873 62.4-108.5 -99.6 125.9 15.7 9.8 9.6 89 95 A V - 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0 0 3 -4,-1.5 4,-0.9 -5,-0.4 27,-0.2 0.243 12.9-101.0 89.3 146.1 10.3 -25.3 7.5 245 251 A T H > S+ 0 0 2 25,-2.1 4,-2.5 1,-0.2 5,-0.2 0.796 112.5 67.4 -72.2 -30.5 13.0 -26.8 5.2 246 252 A D H > S+ 0 0 106 24,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.945 102.3 46.9 -55.8 -49.6 10.7 -27.3 2.3 247 253 A G H > S+ 0 0 30 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.842 110.6 54.1 -60.0 -34.3 10.3 -23.5 1.8 248 254 A L H X S+ 0 0 1 -4,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.912 108.4 48.4 -66.0 -42.1 14.1 -23.3 2.2 249 255 A N H X S+ 0 0 67 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.867 108.5 52.4 -67.6 -38.1 14.7 -25.8 -0.6 250 256 A V H X S+ 0 0 103 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.916 112.3 48.4 -60.8 -44.4 12.2 -24.1 -3.0 251 257 A Y H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.922 110.3 48.9 -60.2 -52.4 14.2 -20.8 -2.4 252 258 A L H <>S+ 0 0 9 -4,-2.5 5,-3.0 1,-0.2 4,-0.3 0.848 112.4 48.1 -61.4 -36.6 17.6 -22.3 -2.9 253 259 A N H ><5S+ 0 0 121 -4,-2.0 3,-0.7 3,-0.2 -1,-0.2 0.890 107.1 56.1 -74.0 -36.4 16.6 -24.0 -6.2 254 260 A K H 3<5S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 117.8 34.1 -60.8 -40.2 15.0 -20.8 -7.5 255 261 A Y T 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.322 110.0-120.8 -98.8 7.7 18.2 -18.8 -7.1 256 262 A R T < 5 + 0 0 230 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.904 51.1 170.6 53.4 48.0 20.5 -21.8 -7.9 257 263 A I < - 0 0 32 -5,-3.0 2,-0.7 -6,-0.1 -1,-0.2 -0.726 28.6-144.9 -94.0 136.5 22.2 -21.6 -4.5 258 264 A E - 0 0 145 -2,-0.4 2,-0.4 -60,-0.2 -5,-0.0 -0.891 14.1-144.5-103.3 113.6 24.6 -24.3 -3.3 259 265 A L - 0 0 25 -2,-0.7 -61,-0.1 1,-0.1 -60,-0.0 -0.633 28.4-106.1 -79.2 129.7 24.4 -24.9 0.5 260 266 A D > - 0 0 66 -2,-0.4 4,-3.7 1,-0.1 5,-0.3 -0.321 28.9-122.1 -55.0 131.0 27.7 -25.8 2.1 261 267 A P H > S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.850 112.1 46.7 -42.5 -48.1 27.7 -29.5 2.9 262 268 A Q H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.964 115.7 44.2 -61.3 -56.1 28.3 -28.8 6.6 263 269 A L H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.927 111.3 53.9 -54.1 -50.9 25.7 -26.1 6.8 264 270 A E H X S+ 0 0 116 -4,-3.7 4,-1.4 1,-0.2 -1,-0.2 0.888 107.6 52.9 -52.9 -38.2 23.2 -28.2 4.8 265 271 A A H < S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.898 108.2 49.6 -64.9 -40.9 23.9 -31.0 7.4 266 272 A L H < S+ 0 0 93 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.896 104.4 57.9 -66.4 -42.1 23.0 -28.7 10.3 267 273 A V H < S+ 0 0 5 -4,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.914 82.2 170.6 -55.5 -49.7 19.8 -27.4 8.9 268 274 A G < - 0 0 45 -4,-1.4 2,-0.3 1,-0.1 -1,-0.2 -0.528 45.2 -49.2 79.8-135.7 18.2 -30.9 8.6 269 275 A R + 0 0 198 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.935 62.9 168.6-144.8 116.9 14.6 -31.5 7.7 270 276 A H - 0 0 58 -2,-0.3 -25,-2.1 -30,-0.1 -24,-0.6 -0.984 28.1-131.9-136.7 146.7 11.9 -29.6 9.6 271 277 A S - 0 0 112 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.411 44.4 -87.2 -85.5 168.3 8.2 -29.0 9.3 272 278 A R - 0 0 123 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.549 31.8-142.3 -79.5 140.5 6.7 -25.5 9.5 273 279 A K - 0 0 82 -31,-2.8 5,-0.1 -2,-0.2 -1,-0.0 -0.909 23.9-125.7-104.7 110.1 5.8 -24.1 12.9 274 280 A P > - 0 0 74 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.170 16.2-121.6 -53.0 143.2 2.6 -22.0 12.7 275 281 A W G > S+ 0 0 12 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.853 110.8 63.0 -56.2 -37.9 2.8 -18.5 14.1 276 282 A L G > S+ 0 0 113 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.726 86.6 74.0 -61.6 -20.4 0.0 -19.1 16.6 277 283 A K G < S+ 0 0 139 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.662 91.9 58.3 -66.3 -14.5 2.3 -21.8 18.2 278 284 A F G < S+ 0 0 26 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.3 0.501 81.3 105.5 -93.9 -6.6 4.2 -18.9 19.6 279 285 A M < + 0 0 78 -3,-1.6 2,-0.3 -4,-0.2 -58,-0.1 -0.563 42.9 154.0 -78.2 138.6 1.3 -17.3 21.5 280 286 A N >> - 0 0 77 -2,-0.3 3,-2.0 -59,-0.0 4,-1.8 -0.927 59.6 -77.0-153.2 173.9 1.3 -17.6 25.2 281 287 A A T 34 S+ 0 0 90 1,-0.3 4,-0.3 -2,-0.3 -2,-0.0 0.765 125.8 54.0 -47.8 -32.6 0.1 -16.0 28.4 282 288 A D T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.708 121.8 26.2 -78.1 -21.5 2.8 -13.3 28.2 283 289 A N T X> S+ 0 0 0 -3,-2.0 3,-2.4 -62,-0.1 4,-1.3 0.402 84.9 104.8-123.3 2.2 2.0 -12.2 24.7 284 290 A Q T 3< S+ 0 0 118 -4,-1.8 -3,-0.1 1,-0.3 -2,-0.1 0.794 79.4 59.9 -53.6 -31.5 -1.7 -13.0 24.2 285 291 A H T 34 S+ 0 0 97 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.587 112.3 38.6 -73.1 -12.6 -2.5 -9.3 24.6 286 292 A L T <4 S+ 0 0 2 -3,-2.4 2,-0.6 -66,-0.3 -2,-0.2 0.531 93.9 90.2-113.2 -14.7 -0.3 -8.5 21.5 287 293 A V < + 0 0 19 -4,-1.3 -163,-0.0 -67,-0.1 -1,-0.0 -0.794 49.3 157.2 -91.5 118.2 -1.0 -11.4 19.2 288 294 A S > - 0 0 22 -2,-0.6 4,-2.4 1,-0.1 3,-0.4 -0.920 54.1-108.5-133.4 156.1 -3.9 -10.7 16.8 289 295 A P H > S+ 0 0 115 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.853 121.1 52.0 -56.9 -34.5 -4.8 -12.2 13.4 290 296 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.867 109.3 49.8 -68.9 -34.8 -3.9 -9.0 11.6 291 297 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.904 112.5 47.6 -67.4 -43.8 -0.5 -9.0 13.4 292 298 A I H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.873 111.8 49.3 -64.6 -41.6 0.1 -12.6 12.4 293 299 A D H X S+ 0 0 59 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.917 112.9 47.7 -66.2 -42.2 -0.9 -11.9 8.7 294 300 A F H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.986 113.7 46.0 -60.5 -57.4 1.4 -8.9 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 3,-1.3 0.846 108.6 57.6 -51.2 -42.2 4.4 -10.8 10.1 296 302 A D H 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.835 103.7 52.1 -61.0 -33.6 3.8 -13.7 7.8 297 303 A K T << S+ 0 0 62 -4,-1.3 10,-1.4 -3,-1.0 -1,-0.3 0.504 112.7 46.4 -81.7 -6.2 4.1 -11.5 4.7 298 304 A L T <4 S+ 0 0 0 -3,-1.3 2,-1.8 -4,-0.5 -2,-0.2 0.813 100.5 63.8-100.4 -46.0 7.5 -10.1 6.0 299 305 A L < + 0 0 2 -4,-2.3 2,-0.4 -86,-0.1 -1,-0.2 -0.512 68.7 137.0 -86.4 74.6 9.3 -13.3 7.0 300 306 A R - 0 0 64 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.958 55.0-137.1-118.9 135.8 9.6 -15.1 3.7 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-0.6 1,-0.1 -106,-0.2 0.952 93.3 72.2 -53.2 -53.4 12.8 -16.9 2.6 302 308 A D S >> S- 0 0 10 1,-0.2 3,-1.6 -3,-0.1 4,-0.8 -0.542 74.3-155.2 -69.6 111.3 12.4 -15.5 -0.9 303 309 A H T 34 S+ 0 0 2 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.777 92.2 60.7 -57.8 -28.6 13.2 -11.8 -0.6 304 310 A Q T 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.685 100.9 56.4 -74.2 -17.3 11.2 -11.0 -3.8 305 311 A E T <4 S+ 0 0 102 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.750 85.9 99.0 -83.5 -30.0 8.1 -12.3 -2.0 306 312 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.3 2,-0.1 -0.130 83.9 -97.5 -59.4 156.7 8.3 -10.0 1.1 307 313 A L - 0 0 26 -10,-1.4 2,-0.2 -13,-0.2 -1,-0.1 -0.435 36.8-123.0 -71.6 148.8 6.1 -6.9 1.3 308 314 A T > - 0 0 27 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.517 28.4-105.4 -87.3 163.4 7.8 -3.7 0.3 309 315 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -170,-0.2 0.879 124.1 50.5 -56.8 -37.9 7.9 -0.8 2.9 310 316 A L H > S+ 0 0 95 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.910 112.3 45.8 -66.5 -43.5 5.2 1.0 0.9 311 317 A E H >4 S+ 0 0 83 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.904 109.0 56.6 -64.1 -43.7 2.9 -2.2 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 6,-0.2 0.921 100.6 57.8 -55.6 -45.6 3.5 -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 0.711 105.5 50.2 -59.6 -24.1 2.2 0.7 5.4 314 320 A T T << S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.462 79.5 121.6 -95.4 -1.0 -1.1 -0.0 3.8 315 321 A H S X S- 0 0 11 -3,-1.7 3,-2.2 -4,-0.5 4,-0.1 -0.369 75.5-118.9 -61.3 138.7 -1.7 -3.4 5.6 316 322 A P G > S+ 0 0 63 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.705 106.9 80.4 -53.6 -21.8 -5.0 -3.3 7.6 317 323 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.854 97.4 42.8 -55.0 -32.8 -2.9 -3.9 10.7 318 324 A F G X> S+ 0 0 0 -3,-2.2 4,-2.5 -6,-0.2 3,-0.6 0.301 80.3 119.1 -97.5 9.6 -2.1 -0.2 10.7 319 325 A Q H <> S+ 0 0 121 -3,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.838 76.9 42.3 -42.5 -50.5 -5.7 0.9 9.8 320 326 A Q H 3> S+ 0 0 111 -3,-0.3 4,-3.0 -4,-0.3 -1,-0.3 0.834 111.5 56.1 -72.3 -30.0 -6.2 3.0 13.0 321 327 A V H <> S+ 0 0 2 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.937 111.8 42.3 -65.7 -46.7 -2.8 4.5 12.8 322 328 A R H >< S+ 0 0 74 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.923 113.9 52.7 -64.0 -44.5 -3.4 5.8 9.2 323 329 A A H 3< S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.936 105.1 54.9 -57.0 -45.1 -6.9 6.9 10.3 324 330 A A H 3< 0 0 76 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.819 360.0 360.0 -57.6 -32.1 -5.4 8.8 13.2 325 331 A E << 0 0 143 -4,-1.2 -2,-0.3 -3,-0.6 -1,-0.2 0.847 360.0 360.0 -85.8 360.0 -3.2 10.6 10.5