==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-MAY-12 4FBX . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ENKVIST,K.VIHT,N.BISCHOFF,J.VAHTER,S.SAAVER,G.RAIDARU,O.- . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 65.0 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 . 42 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 . 25 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.4 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 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 . 1 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 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 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 0 170 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.8 23.6 35.2 41.2 2 3 A G - 0 0 40 1,-0.2 2,-0.3 260,-0.0 260,-0.0 0.049 360.0 -35.2 -91.3-156.0 24.2 32.1 39.1 3 4 A P - 0 0 76 0, 0.0 258,-0.2 0, 0.0 -1,-0.2 -0.506 67.7-114.1 -70.2 129.2 21.7 29.9 37.4 4 5 A V - 0 0 66 256,-1.6 258,-0.0 -2,-0.3 255,-0.0 -0.392 36.2-110.1 -63.2 134.1 18.4 29.4 39.4 5 6 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.217 32.6-157.3 -62.7 155.4 18.0 25.8 40.6 6 7 A S - 0 0 2 201,-0.1 178,-0.5 202,-0.1 2,-0.3 -0.943 6.4-162.8-133.5 156.0 15.3 23.5 39.2 7 8 A R - 0 0 115 -2,-0.3 2,-0.2 176,-0.1 202,-0.1 -0.984 30.4-101.0-137.4 150.2 13.4 20.4 40.4 8 9 A A - 0 0 6 -2,-0.3 4,-0.2 1,-0.1 301,-0.1 -0.468 22.2-140.5 -68.4 137.2 11.3 17.8 38.6 9 10 A R S S+ 0 0 111 -2,-0.2 2,-0.3 2,-0.1 3,-0.2 0.868 85.4 23.8 -65.4 -38.5 7.6 18.2 39.0 10 11 A V S S+ 0 0 53 1,-0.1 200,-0.2 2,-0.1 -1,-0.0 -0.861 120.6 20.3-127.0 162.4 7.1 14.5 39.5 11 12 A Y S > S+ 0 0 66 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 0.786 75.7 148.3 54.9 32.1 9.1 11.5 40.6 12 13 A T T 3 + 0 0 31 1,-0.2 3,-0.2 -4,-0.2 4,-0.1 0.889 69.6 26.4 -66.9 -42.9 11.4 14.0 42.3 13 14 A D T 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.160 82.8 117.0-112.1 16.3 12.6 11.9 45.3 14 15 A V H <> S+ 0 0 28 -3,-0.6 4,-0.7 1,-0.2 -1,-0.2 0.896 82.4 41.9 -53.0 -48.2 12.2 8.4 43.9 15 16 A N H 4 S+ 0 0 1 166,-0.4 -1,-0.2 -4,-0.3 3,-0.2 0.815 110.3 58.1 -71.1 -30.6 15.9 7.6 44.1 16 17 A T H 4 S+ 0 0 89 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.879 107.0 47.7 -65.4 -37.7 16.1 9.2 47.6 17 18 A H H < S+ 0 0 151 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.636 100.2 86.8 -78.9 -15.4 13.5 6.8 48.9 18 19 A R S < S- 0 0 89 -4,-0.7 5,-0.0 -5,-0.2 2,-0.0 -0.449 94.4 -94.5 -77.8 156.2 15.2 3.9 47.4 19 20 A P >> - 0 0 78 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.369 42.5-105.5 -64.3 156.4 18.0 2.0 49.2 20 21 A R H >> S+ 0 0 159 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.865 115.5 58.4 -53.3 -46.5 21.5 3.3 48.3 21 22 A E H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 7,-0.0 0.620 92.1 72.6 -67.2 -11.9 22.5 0.3 46.1 22 23 A Y H <4 S+ 0 0 17 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 116.5 15.1 -64.6 -48.4 19.6 0.9 43.7 23 24 A W H << S+ 0 0 77 -3,-0.9 2,-1.6 -4,-0.6 -2,-0.2 0.561 103.7 92.3-105.7 -12.8 21.0 4.1 42.2 24 25 A D >< + 0 0 19 -4,-1.8 3,-0.8 1,-0.2 4,-0.4 -0.591 44.7 163.3 -87.2 80.0 24.7 3.8 43.2 25 26 A Y T 3 + 0 0 17 -2,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.686 64.8 67.9 -75.3 -20.7 26.0 2.0 40.2 26 27 A E T 3 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.801 105.1 43.6 -67.9 -29.3 29.6 2.8 40.8 27 28 A S S < S+ 0 0 70 -3,-0.8 -1,-0.2 2,-0.1 2,-0.2 0.547 91.0 110.8 -91.2 -10.7 29.5 0.5 43.9 28 29 A H - 0 0 29 -4,-0.4 2,-0.7 -3,-0.2 54,-0.1 -0.474 64.8-139.8 -68.8 130.0 27.6 -2.1 42.0 29 30 A V - 0 0 116 -2,-0.2 2,-0.5 2,-0.0 -2,-0.1 -0.840 19.5-130.4 -93.6 117.7 29.6 -5.3 41.4 30 31 A V - 0 0 22 -2,-0.7 2,-1.0 1,-0.1 48,-0.0 -0.546 10.6-147.5 -75.2 118.8 28.8 -6.6 37.9 31 32 A E - 0 0 146 -2,-0.5 2,-0.2 69,-0.0 68,-0.2 -0.762 21.5-153.5 -86.9 102.1 27.9 -10.3 37.9 32 33 A W - 0 0 76 -2,-1.0 68,-0.2 1,-0.1 2,-0.1 -0.527 5.6-154.2 -83.2 140.9 29.3 -11.5 34.5 33 34 A G - 0 0 22 66,-3.6 2,-0.5 -2,-0.2 68,-0.4 -0.114 34.2 -79.0 -92.0-164.1 27.9 -14.5 32.6 34 35 A N > - 0 0 106 1,-0.1 3,-1.5 66,-0.1 4,-0.2 -0.907 22.4-158.0-108.4 122.6 29.6 -16.7 30.1 35 36 A Q G > S+ 0 0 47 -2,-0.5 3,-2.1 66,-0.5 -1,-0.1 0.802 91.4 70.9 -63.5 -28.4 30.1 -15.6 26.5 36 37 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.678 83.8 69.5 -63.5 -18.3 30.4 -19.2 25.5 37 38 A D G < S+ 0 0 42 -3,-1.5 21,-2.0 20,-0.1 22,-0.6 0.634 98.6 61.2 -72.4 -13.1 26.7 -19.6 26.2 38 39 A Y E < -A 57 0A 26 -3,-2.1 2,-0.4 19,-0.2 19,-0.2 -0.951 61.0-170.3-125.4 134.2 26.0 -17.5 23.2 39 40 A Q E -A 56 0A 114 17,-2.2 17,-2.7 -2,-0.4 2,-0.3 -0.973 26.9-121.8-120.6 135.2 26.9 -17.9 19.5 40 41 A L E +A 55 0A 92 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.567 26.1 179.8 -78.9 134.2 26.4 -15.1 16.9 41 42 A V E - 0 0 91 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.878 60.6 -21.0 -97.8 -56.0 24.1 -15.9 14.0 42 43 A R E -A 54 0A 141 12,-1.1 12,-3.3 0, 0.0 -1,-0.4 -0.992 65.4 -98.5-157.0 156.5 24.1 -12.7 11.8 43 44 A K E +A 53 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.540 32.2 172.3 -80.5 141.5 24.8 -9.0 12.0 44 45 A L E + 0 0 27 8,-3.2 2,-0.2 1,-0.4 9,-0.2 0.770 60.6 2.5-110.0 -60.1 21.9 -6.6 12.4 45 46 A G E -A 52 0A 15 7,-0.8 7,-1.7 2,-0.0 -1,-0.4 -0.771 52.0-166.6-129.2 173.2 23.3 -3.1 13.0 46 47 A R E +A 51 0A 209 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.889 23.2 133.9-164.5 126.7 26.6 -1.2 13.1 47 48 A G - 0 0 44 3,-2.3 -2,-0.0 -2,-0.3 0, 0.0 -0.687 65.9 -74.6-150.3-157.2 27.5 2.2 14.4 48 49 A K S S+ 0 0 187 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.585 127.0 41.8 -88.6 -13.2 29.8 4.4 16.4 49 50 A Y S S- 0 0 158 1,-0.2 21,-1.5 20,-0.1 2,-0.3 0.670 120.9 -5.3-107.9 -22.3 28.3 3.1 19.6 50 51 A S E - B 0 69A 16 19,-0.2 -3,-2.3 2,-0.0 2,-0.5 -0.996 45.4-127.6-165.9 164.2 27.8 -0.7 19.0 51 52 A E E -AB 46 68A 71 17,-1.2 17,-2.9 -2,-0.3 2,-0.4 -0.996 34.6-157.4-120.6 121.0 27.9 -3.8 16.9 52 53 A V E -AB 45 67A 1 -7,-1.7 -8,-3.2 -2,-0.5 -7,-0.8 -0.856 12.3-178.4-111.0 133.7 24.5 -5.6 17.0 53 54 A F E -AB 43 66A 23 13,-2.7 13,-2.6 -2,-0.4 2,-0.3 -0.962 31.7-126.9-132.8 143.0 24.0 -9.3 16.3 54 55 A E E +AB 42 65A 10 -12,-3.3 -13,-3.2 -2,-0.4 -12,-1.1 -0.694 49.1 173.7 -71.8 137.4 21.3 -11.9 16.1 55 56 A A E -AB 40 64A 1 9,-2.6 9,-2.8 -2,-0.3 2,-0.4 -0.947 29.4-128.1-147.8 167.6 22.4 -14.7 18.4 56 57 A I E -AB 39 63A 37 -17,-2.7 -17,-2.2 -2,-0.3 2,-0.9 -0.954 12.4-139.2-123.4 138.7 21.5 -18.0 19.9 57 58 A N E >>> -AB 38 62A 16 5,-2.5 4,-2.0 -2,-0.4 3,-1.1 -0.856 16.5-163.9 -92.4 104.8 21.6 -19.1 23.6 58 59 A I T 345S+ 0 0 76 -21,-2.0 -1,-0.1 -2,-0.9 -20,-0.1 0.665 81.4 66.3 -68.2 -16.6 22.9 -22.7 23.3 59 60 A T T 345S+ 0 0 95 -22,-0.6 -1,-0.3 1,-0.2 -21,-0.1 0.822 127.1 6.3 -74.0 -31.2 21.9 -23.6 26.8 60 61 A N T <45S- 0 0 88 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.295 97.2-118.8-132.3 5.9 18.2 -23.2 26.0 61 62 A N T <5 + 0 0 130 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.808 60.0 153.2 55.6 35.5 18.2 -22.7 22.2 62 63 A E E < -B 57 0A 116 -5,-0.9 -5,-2.5 1,-0.0 2,-0.4 -0.769 47.6-119.0 -96.4 138.5 16.6 -19.3 22.6 63 64 A K E +B 56 0A 110 -2,-0.4 51,-0.9 -7,-0.2 2,-0.3 -0.601 43.8 167.9 -73.7 128.5 17.0 -16.5 20.1 64 65 A V E -BC 55 113A 8 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.4 -0.814 32.8-117.9-133.4 175.9 18.6 -13.4 21.6 65 66 A V E -BC 54 112A 0 47,-2.6 47,-3.2 -2,-0.3 2,-0.5 -0.975 22.2-158.6-121.0 131.1 20.3 -10.1 20.6 66 67 A V E -BC 53 111A 5 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.6 -0.924 3.5-166.0-113.6 130.3 23.9 -9.3 21.4 67 68 A K E -BC 52 110A 5 43,-3.1 43,-2.4 -2,-0.5 2,-0.6 -0.923 12.1-148.9-117.7 107.9 25.3 -5.7 21.5 68 69 A I E -BC 51 109A 29 -17,-2.9 -17,-1.2 -2,-0.6 2,-0.3 -0.636 24.6-132.6 -75.1 117.5 29.1 -5.4 21.5 69 70 A L E -B 50 0A 12 39,-2.0 -19,-0.2 -2,-0.6 -1,-0.1 -0.539 9.2-125.7 -80.4 130.3 29.9 -2.3 23.5 70 71 A K - 0 0 55 -21,-1.5 2,-1.2 -2,-0.3 -1,-0.1 -0.434 49.2 -82.2 -64.6 145.4 32.3 0.3 22.2 71 72 A P + 0 0 131 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.333 69.6 154.2 -59.2 90.9 35.1 1.1 24.7 72 73 A V - 0 0 56 -2,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.684 54.9 -71.8-105.7 169.9 33.6 3.5 27.1 73 74 A K >> - 0 0 166 -2,-0.2 4,-1.5 1,-0.1 3,-1.3 -0.283 42.4-116.7 -61.1 146.7 34.6 4.0 30.8 74 75 A K H 3> S+ 0 0 111 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.798 115.2 64.2 -54.0 -31.8 33.7 1.2 33.2 75 76 A K H 3> S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.872 102.8 47.1 -60.8 -38.6 31.5 3.8 35.0 76 77 A K H <> S+ 0 0 63 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.845 111.0 52.8 -71.7 -34.7 29.3 4.1 31.9 77 78 A I H X S+ 0 0 5 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.942 110.4 45.8 -63.1 -50.3 29.2 0.3 31.5 78 79 A K H X S+ 0 0 48 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.844 110.9 55.0 -63.9 -34.6 28.0 -0.2 35.1 79 80 A R H X S+ 0 0 25 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.930 109.3 44.5 -66.1 -48.5 25.5 2.6 34.8 80 81 A E H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 116.2 48.0 -62.9 -41.9 23.8 1.1 31.7 81 82 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 112.6 47.1 -64.9 -47.8 23.7 -2.4 33.3 82 83 A K H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.883 114.1 48.5 -61.9 -39.9 22.4 -1.2 36.6 83 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.927 111.1 49.7 -66.5 -45.1 19.7 0.9 34.9 84 85 A L H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 12,-0.3 0.860 111.9 48.6 -61.8 -38.0 18.7 -2.0 32.6 85 86 A E H < S+ 0 0 41 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.864 111.2 49.9 -71.6 -36.1 18.4 -4.4 35.6 86 87 A N H < S+ 0 0 25 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.846 117.5 40.3 -68.2 -34.0 16.3 -1.9 37.6 87 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.6 -5,-0.1 -1,-0.2 0.567 86.0 126.1 -91.3 -11.8 14.0 -1.4 34.6 88 89 A R T 3< S+ 0 0 107 -4,-1.0 7,-0.1 1,-0.3 6,-0.1 -0.218 75.6 21.8 -52.8 129.2 13.9 -5.1 33.7 89 90 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.2 3,-0.1 0.154 94.5 132.9 96.8 -17.9 10.4 -6.4 33.5 90 91 A G X - 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0 0 31 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 -0.228 49.7 -40.8 57.6-138.2 17.5 37.7 16.8 274 275 A R + 0 0 228 -4,-0.1 2,-0.4 -25,-0.0 -1,-0.1 -0.984 61.2 167.0-131.3 123.8 13.8 38.1 17.0 275 276 A H - 0 0 50 -2,-0.4 -25,-3.3 -30,-0.1 -24,-0.6 -0.993 27.6-130.6-135.7 142.3 11.2 35.6 15.7 276 277 A S - 0 0 81 -2,-0.4 -27,-0.4 -27,-0.3 -2,-0.0 -0.668 37.7 -95.5 -90.2 145.7 7.4 35.4 16.2 277 278 A R - 0 0 84 -29,-0.3 2,-0.4 -2,-0.3 -29,-0.3 -0.323 39.6-136.2 -57.6 134.6 5.8 32.1 17.3 278 279 A K - 0 0 54 -31,-4.2 2,-0.2 -3,-0.0 -1,-0.1 -0.809 15.1-118.2 -98.5 137.4 4.5 30.1 14.4 279 280 A R > - 0 0 136 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.480 20.5-126.4 -69.9 140.7 1.1 28.4 14.5 280 281 A W G > S+ 0 0 20 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.742 105.4 69.9 -62.0 -23.7 1.2 24.6 14.2 281 282 A E G > S+ 0 0 119 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.698 83.1 72.6 -66.4 -20.0 -1.2 24.8 11.3 282 283 A R G < S+ 0 0 135 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.700 93.4 53.5 -70.9 -18.0 1.5 26.3 9.1 283 284 A F G < S+ 0 0 51 -3,-1.3 2,-0.5 -4,-0.2 -1,-0.3 0.400 88.3 102.9 -96.0 1.6 3.3 23.0 8.9 284 285 A V < + 0 0 40 -3,-1.3 2,-0.3 -4,-0.1 -58,-0.1 -0.740 45.0 167.9 -91.0 126.7 0.3 21.2 7.7 285 286 A H >> - 0 0 90 -2,-0.5 3,-1.9 -59,-0.1 4,-1.6 -0.839 50.7 -94.4-131.0 173.6 -0.0 20.3 4.0 286 287 A S T 34 S+ 0 0 102 1,-0.3 4,-0.1 -2,-0.3 -2,-0.0 0.565 119.2 58.3 -67.1 -7.7 -2.3 18.1 1.9 287 288 A E T 34 S+ 0 0 144 -61,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.246 119.5 24.4-106.6 11.6 0.2 15.2 2.1 288 289 A N T X4 S+ 0 0 0 -3,-1.9 3,-2.4 -62,-0.0 4,-0.3 0.392 88.1 101.2-144.2 -9.4 0.2 14.9 5.9 289 290 A Q G >< S+ 0 0 114 -4,-1.6 3,-0.7 1,-0.3 -3,-0.1 0.606 70.8 71.7 -65.2 -12.6 -3.1 16.3 7.0 290 291 A H G 3 S+ 0 0 93 1,-0.2 -1,-0.3 -4,-0.1 -161,-0.2 0.663 100.5 47.6 -74.7 -15.3 -4.6 12.9 7.5 291 292 A L G < S+ 0 0 0 -3,-2.4 2,-0.4 -66,-0.3 -1,-0.2 0.399 98.9 91.6-100.7 -2.0 -2.3 12.5 10.5 292 293 A V < + 0 0 29 -3,-0.7 -163,-0.0 -4,-0.3 3,-0.0 -0.776 45.2 156.5-101.0 138.7 -3.2 16.0 11.8 293 294 A S > - 0 0 14 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.955 54.2-107.1-148.0 161.9 -6.0 16.7 14.3 294 295 A P H > S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.837 122.4 53.2 -59.2 -32.9 -6.9 19.4 16.8 295 296 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.918 107.9 50.1 -66.1 -46.0 -6.0 17.0 19.6 296 297 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.938 111.0 48.0 -56.8 -51.0 -2.6 16.3 18.0 297 298 A L H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.869 114.0 46.3 -62.0 -39.4 -1.7 19.9 17.6 298 299 A D H X S+ 0 0 63 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.874 113.6 49.3 -70.5 -38.3 -2.7 20.7 21.2 299 300 A F H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 3,-0.4 0.936 112.7 46.9 -64.2 -48.1 -0.8 17.7 22.5 300 301 A L H >X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 3,-1.2 0.905 109.3 55.0 -60.1 -42.8 2.3 18.7 20.5 301 302 A D H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.7 52.0 -60.4 -30.0 2.0 22.3 21.7 302 303 A K H 3< S+ 0 0 60 -4,-1.2 10,-1.7 -3,-0.4 -1,-0.3 0.539 113.3 43.4 -87.6 -7.9 2.0 20.9 25.3 303 304 A L H << S+ 0 0 0 -3,-1.2 2,-2.0 -4,-0.6 -2,-0.2 0.821 102.2 65.5 -97.0 -47.7 5.2 18.9 24.8 304 305 A L < + 0 0 0 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.473 69.6 136.6 -82.6 72.1 7.3 21.4 22.9 305 306 A R - 0 0 77 -2,-2.0 6,-0.1 -3,-0.2 -3,-0.0 -0.923 55.3-138.2-113.6 143.2 7.7 24.1 25.5 306 307 A Y S S+ 0 0 7 -2,-0.4 2,-0.6 -107,-0.1 -106,-0.2 0.950 91.6 76.0 -59.0 -50.2 11.0 25.9 26.2 307 308 A D S >> S- 0 0 21 1,-0.2 3,-1.3 -3,-0.1 4,-0.8 -0.526 72.1-156.9 -69.0 112.8 10.4 25.7 30.0 308 309 A H T 34 S+ 0 0 2 -2,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.795 93.1 57.4 -61.3 -28.9 11.1 22.1 30.9 309 310 A Q T 34 S+ 0 0 53 1,-0.2 -1,-0.3 -301,-0.1 4,-0.1 0.694 103.1 54.8 -75.3 -17.5 8.8 22.4 34.0 310 311 A S T <4 S+ 0 0 56 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.660 85.4 101.1 -90.1 -19.0 5.9 23.4 31.7 311 312 A R S < S- 0 0 3 -4,-0.8 -8,-0.2 -3,-0.4 -9,-0.1 -0.316 85.6 -94.7 -66.7 149.1 6.0 20.3 29.5 312 313 A L - 0 0 22 -10,-1.7 -1,-0.1 -13,-0.2 2,-0.1 -0.366 35.8-124.4 -61.0 139.3 3.5 17.5 30.1 313 314 A T > - 0 0 17 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.395 32.9-102.7 -70.8 164.7 4.7 14.7 32.3 314 315 A A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -170,-0.1 0.915 123.5 49.7 -56.9 -43.4 4.5 11.3 30.7 315 316 A R H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.895 109.1 50.0 -65.0 -43.4 1.3 10.5 32.8 316 317 A E H 4 S+ 0 0 67 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.895 110.7 51.8 -60.9 -40.0 -0.4 13.8 31.9 317 318 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.2 0.892 102.6 59.6 -62.0 -40.6 0.4 13.1 28.2 318 319 A M H 3< S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.778 108.8 43.3 -63.1 -27.6 -1.2 9.6 28.5 319 320 A E T 3< S+ 0 0 140 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.102 85.0 122.4-107.4 22.4 -4.5 11.1 29.5 320 321 A H S X S- 0 0 13 -3,-1.8 3,-2.5 1,-0.1 4,-0.2 -0.596 78.9-111.4 -76.6 145.0 -4.5 13.8 26.9 321 322 A P G > S+ 0 0 81 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.709 111.8 77.8 -50.8 -23.7 -7.5 13.7 24.6 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 4,-0.2 1,-0.3 3,-0.2 0.802 102.3 36.6 -55.6 -31.7 -5.1 12.8 21.8 323 324 A F G <> S+ 0 0 0 -3,-2.5 4,-3.2 -6,-0.2 5,-0.3 0.257 85.1 113.0-105.6 10.4 -5.1 9.2 23.2 324 325 A Y H <> S+ 0 0 150 -3,-1.6 4,-2.1 1,-0.2 -1,-0.1 0.911 84.4 34.8 -50.4 -56.3 -8.8 9.1 24.2 325 326 A T H > S+ 0 0 89 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.873 115.8 56.9 -70.5 -37.3 -9.9 6.5 21.7 326 327 A V H > S+ 0 0 1 2,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.933 109.7 45.5 -56.5 -47.3 -6.6 4.6 21.9 327 328 A V H X S+ 0 0 45 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.922 114.1 49.0 -62.8 -45.5 -7.0 4.2 25.7 328 329 A K H < S+ 0 0 123 -4,-2.1 3,-0.3 -5,-0.3 -2,-0.2 0.912 114.6 44.5 -58.7 -45.7 -10.7 3.2 25.3 329 330 A D H >< S+ 0 0 97 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.840 110.0 55.0 -71.1 -34.2 -9.8 0.6 22.6 330 331 A Q H >< S+ 0 0 26 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.742 88.9 77.8 -69.4 -22.8 -6.8 -0.7 24.6 331 332 A A T 3< S+ 0 0 84 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.572 100.8 42.1 -65.3 -7.9 -9.2 -1.3 27.5 332 333 A R T < 0 0 214 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.294 360.0 360.0-128.8 47.2 -10.2 -4.4 25.6 333 334 A M < 0 0 192 -3,-1.7 -3,-0.1 0, 0.0 -2,-0.1 -0.155 360.0 360.0 -67.7 360.0 -6.8 -5.5 24.5 334 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 335 1 B X 0 0 18 0, 0.0 -216,-0.1 0, 0.0 -289,-0.0 0.000 360.0 360.0 360.0 360.0 20.3 -1.3 16.1