==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-AUG-12 4GRB . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.A.LARSEN,J.E.DOWLING,A.D.FERGUSON . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 11.9 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 27.2 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 2 1 0 2 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 2 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 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 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 0 175 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.9 25.0 1.3 41.8 2 3 A G - 0 0 35 1,-0.2 260,-0.0 260,-0.0 0, 0.0 -0.246 360.0 -53.2-102.4-169.8 24.5 3.8 38.9 3 4 A P - 0 0 70 0, 0.0 258,-0.2 0, 0.0 -1,-0.2 -0.269 60.8 -99.4 -64.0 152.9 21.5 5.6 37.4 4 5 A V - 0 0 65 256,-2.2 203,-0.1 1,-0.1 255,-0.0 -0.578 45.4-115.7 -69.9 133.1 18.4 3.8 36.3 5 6 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.268 30.5-159.6 -71.5 159.6 18.4 3.2 32.5 6 7 A S - 0 0 4 201,-0.1 178,-0.6 202,-0.1 2,-0.3 -0.965 8.2-159.9-139.5 152.2 15.8 4.8 30.2 7 8 A R - 0 0 125 -2,-0.3 202,-0.1 176,-0.1 2,-0.1 -0.964 33.5-100.0-128.8 149.0 14.4 4.2 26.7 8 9 A A - 0 0 4 -2,-0.3 4,-0.1 1,-0.1 301,-0.1 -0.421 23.2-140.7 -61.3 140.3 12.6 6.5 24.3 9 10 A R S S+ 0 0 122 2,-0.1 2,-0.3 -2,-0.1 3,-0.2 0.728 86.8 41.3 -73.4 -25.0 8.8 5.9 24.3 10 11 A V S S+ 0 0 35 1,-0.2 200,-0.2 2,-0.1 -2,-0.1 -0.905 120.9 5.0-124.3 152.5 8.7 6.4 20.5 11 12 A Y S > S+ 0 0 40 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.833 76.5 156.6 49.2 42.9 10.9 5.3 17.7 12 13 A T T 3 + 0 0 25 1,-0.2 3,-0.3 -3,-0.2 4,-0.2 0.935 69.8 26.1 -68.1 -50.4 13.0 3.3 20.1 13 14 A D T 3> S+ 0 0 51 1,-0.2 4,-1.5 2,-0.1 -1,-0.2 -0.109 84.3 119.7-109.3 35.8 14.6 0.7 17.8 14 15 A V T <4 S+ 0 0 29 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.911 83.0 35.6 -72.9 -44.1 14.5 2.7 14.6 15 16 A N T >4 S+ 0 0 0 166,-0.5 3,-1.3 -3,-0.3 -1,-0.2 0.802 111.2 64.8 -75.3 -29.5 18.3 2.7 14.0 16 17 A T T 34 S+ 0 0 78 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.841 102.1 47.6 -61.8 -36.3 18.6 -0.8 15.4 17 18 A H T 3< S+ 0 0 154 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.1 0.288 102.7 80.0 -91.3 9.0 16.5 -2.3 12.6 18 19 A R S < S- 0 0 70 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.838 89.8 -95.4-114.0 154.7 18.4 -0.4 9.9 19 20 A P >> - 0 0 80 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.262 35.8-110.4 -66.9 156.1 21.8 -1.3 8.3 20 21 A R H 3> S+ 0 0 146 1,-0.3 4,-3.6 2,-0.2 3,-0.2 0.784 111.3 73.0 -60.2 -30.8 25.0 0.3 9.7 21 22 A E H 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.784 95.7 55.4 -52.3 -29.2 25.5 2.5 6.6 22 23 A Y H <4 S+ 0 0 29 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.941 125.6 14.6 -69.3 -50.5 22.6 4.6 7.8 23 24 A W H < S+ 0 0 73 -4,-0.7 2,-2.1 -3,-0.2 -2,-0.2 0.621 99.7 92.1-106.1 -16.7 23.8 5.5 11.3 24 25 A D >< + 0 0 30 -4,-3.6 3,-1.2 1,-0.2 4,-0.2 -0.486 47.4 166.7 -82.5 73.4 27.6 4.6 11.2 25 26 A Y G > + 0 0 23 -2,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.755 63.7 69.6 -62.7 -28.4 28.6 8.1 10.1 26 27 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.832 100.5 47.9 -60.9 -33.3 32.3 7.6 10.9 27 28 A S G < S+ 0 0 70 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.434 87.5 117.1 -85.1 -1.0 32.6 5.1 7.9 28 29 A H < - 0 0 35 -3,-1.5 2,-0.7 -4,-0.2 54,-0.1 -0.536 61.5-139.5 -72.2 128.2 30.8 7.6 5.6 29 30 A V - 0 0 114 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 -0.812 14.8-152.6 -89.7 115.9 32.8 8.8 2.7 30 31 A V - 0 0 16 -2,-0.7 2,-0.6 2,-0.0 48,-0.0 -0.795 2.4-155.1 -91.9 126.6 32.3 12.6 2.1 31 32 A E - 0 0 163 -2,-0.5 2,-0.7 69,-0.0 68,-0.2 -0.910 8.2-150.9-103.0 120.0 32.8 13.8 -1.5 32 33 A W - 0 0 50 -2,-0.6 68,-0.3 66,-0.1 69,-0.1 -0.830 13.7-161.8 -98.1 115.2 33.7 17.5 -1.7 33 34 A G E -a 100 0A 33 66,-3.2 68,-2.2 -2,-0.7 2,-0.5 0.035 34.3 -70.7 -79.6-168.9 32.6 19.2 -4.9 34 35 A N E > -a 101 0A 78 66,-0.2 3,-0.7 1,-0.1 68,-0.2 -0.767 28.7-160.3 -91.5 126.5 33.8 22.5 -6.5 35 36 A Q G > S+ 0 0 18 66,-2.0 3,-3.0 -2,-0.5 67,-0.2 0.662 75.4 92.8 -77.5 -16.3 32.8 25.7 -4.7 36 37 A D G 3 S+ 0 0 98 65,-0.3 -1,-0.2 1,-0.3 22,-0.2 0.798 74.2 66.8 -44.9 -36.8 33.4 27.7 -7.9 37 38 A D G < S+ 0 0 67 -3,-0.7 21,-3.1 20,-0.1 2,-0.5 0.706 96.5 64.7 -59.7 -21.7 29.7 27.3 -8.8 38 39 A Y E < -B 57 0A 22 -3,-3.0 2,-0.5 19,-0.2 19,-0.2 -0.929 67.1-166.2-112.0 120.6 28.8 29.5 -5.8 39 40 A Q E -B 56 0A 115 17,-2.6 17,-2.4 -2,-0.5 2,-0.4 -0.910 25.5-121.9-104.3 131.4 29.8 33.1 -5.7 40 41 A L E +B 55 0A 51 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.588 28.7 178.4 -77.8 123.6 29.5 34.9 -2.3 41 42 A V E - 0 0 85 13,-2.0 2,-0.3 -2,-0.4 14,-0.2 0.895 63.4 -27.7 -88.8 -50.1 27.2 37.9 -2.3 42 43 A R E -B 54 0A 131 12,-1.4 12,-3.3 0, 0.0 -1,-0.4 -0.978 65.8 -93.4-165.0 158.3 27.4 39.0 1.4 43 44 A K E -B 53 0A 95 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.597 27.5-177.6 -81.4 136.4 28.0 37.6 4.9 44 45 A L E - 0 0 75 8,-1.8 2,-0.2 1,-0.3 9,-0.2 0.871 58.0 -50.9 -94.1 -57.6 24.9 36.6 6.9 45 46 A G E -B 52 0A 30 7,-1.4 7,-0.5 2,-0.0 -1,-0.3 -0.765 46.7-109.0-158.2-157.4 26.5 35.6 10.3 46 47 A R E -B 51 0A 159 5,-0.3 5,-0.3 -2,-0.2 2,-0.1 -0.894 20.7-157.8-160.2 121.7 29.1 33.5 12.0 47 48 A G - 0 0 30 3,-1.2 -2,-0.0 -2,-0.3 0, 0.0 -0.282 38.3 -99.4 -91.3-179.1 28.8 30.3 14.2 48 49 A K S S+ 0 0 161 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.751 125.2 24.9 -73.1 -25.0 31.2 28.9 16.7 49 50 A Y S S+ 0 0 95 21,-0.0 21,-3.1 1,-0.0 2,-0.3 0.331 130.3 19.1-118.6 3.1 32.5 26.3 14.2 50 51 A S E - C 0 69A 7 19,-0.3 -3,-1.2 2,-0.0 2,-0.4 -0.932 62.7-120.7-158.6 175.5 31.7 28.2 10.9 51 52 A E E -BC 46 68A 59 17,-2.0 17,-1.9 -2,-0.3 2,-0.4 -0.969 28.4-145.3-133.2 119.9 31.0 31.4 9.0 52 53 A V E -BC 45 67A 35 -7,-0.5 -8,-1.8 -2,-0.4 -7,-1.4 -0.682 18.6-177.3 -92.4 133.5 27.7 31.7 7.1 53 54 A F E -BC 43 66A 39 13,-2.4 13,-2.9 -2,-0.4 2,-0.3 -0.967 28.2-123.2-128.3 143.0 27.5 33.6 3.8 54 55 A E E +BC 42 65A 25 -12,-3.3 -13,-2.0 -2,-0.4 -12,-1.4 -0.686 45.0 171.2 -76.4 138.8 24.7 34.5 1.4 55 56 A A E -BC 40 64A 0 9,-3.0 9,-2.3 -2,-0.3 2,-0.4 -0.923 29.4-132.9-146.5 167.6 25.7 33.2 -2.1 56 57 A I E -BC 39 63A 54 -17,-2.4 -17,-2.6 -2,-0.3 2,-0.7 -0.990 21.0-127.1-128.9 136.8 24.4 32.7 -5.6 57 58 A N E > -B 38 0A 21 5,-1.8 4,-3.3 -2,-0.4 5,-0.4 -0.742 11.1-157.8 -84.3 114.5 24.8 29.6 -7.8 58 59 A I T 4 S+ 0 0 95 -21,-3.1 -1,-0.1 -2,-0.7 -20,-0.1 0.771 88.6 65.4 -63.0 -27.4 26.3 30.6 -11.2 59 60 A T T 4 S- 0 0 100 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.972 131.4 -4.8 -55.9 -59.2 24.8 27.3 -12.8 60 61 A N T 4 S- 0 0 97 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.330 90.7-121.3-122.3 4.2 21.1 28.3 -12.3 61 62 A N < + 0 0 106 -4,-3.3 2,-0.3 1,-0.2 -3,-0.2 0.843 56.9 153.1 52.9 41.2 21.3 31.7 -10.3 62 63 A E - 0 0 123 -5,-0.4 -5,-1.8 1,-0.1 -1,-0.2 -0.794 50.0-103.8 -97.6 144.1 19.3 30.4 -7.4 63 64 A K E +C 56 0A 121 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.330 48.9 170.1 -72.0 148.9 19.9 31.9 -3.9 64 65 A V E -CD 55 113A 11 -9,-2.3 -9,-3.0 49,-0.2 2,-0.4 -0.963 32.9-127.9-156.1 158.4 21.9 29.9 -1.4 65 66 A V E -CD 54 112A 18 47,-2.8 47,-3.4 -2,-0.3 2,-0.6 -0.989 19.6-157.0-118.8 128.3 23.7 29.9 1.9 66 67 A V E -CD 53 111A 0 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.9 -0.925 1.3-161.0-108.1 119.5 27.3 28.7 2.2 67 68 A K E -CD 52 110A 19 43,-3.6 43,-2.0 -2,-0.6 2,-0.5 -0.805 10.6-159.6-101.9 90.5 28.5 27.5 5.6 68 69 A I E -CD 51 109A 38 -17,-1.9 -17,-2.0 -2,-0.9 41,-0.3 -0.621 19.2-133.8 -75.8 118.1 32.3 27.7 5.4 69 70 A L E -C 50 0A 10 39,-2.3 -19,-0.3 -2,-0.5 -1,-0.1 -0.483 4.9-138.8 -83.0 139.1 33.6 25.4 8.1 70 71 A K - 0 0 70 -21,-3.1 2,-0.3 -2,-0.2 -1,-0.1 -0.484 54.5 -71.6 -75.6 160.7 36.4 26.2 10.6 71 72 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.441 71.8 160.6 -58.4 118.1 38.8 23.3 11.2 72 73 A V - 0 0 45 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.920 50.5 -77.8-135.3 159.6 36.9 20.7 13.2 73 74 A K >> - 0 0 175 -2,-0.3 3,-1.3 1,-0.1 4,-1.3 -0.424 40.7-130.3 -61.0 129.3 37.4 16.9 13.8 74 75 A K H 3> S+ 0 0 105 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.684 103.1 69.1 -60.5 -21.2 36.2 15.1 10.7 75 76 A K H 3> S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.920 103.3 42.2 -58.1 -46.8 34.1 12.8 12.9 76 77 A K H <> S+ 0 0 35 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.835 114.2 51.5 -73.1 -33.3 31.7 15.6 13.7 77 78 A I H X S+ 0 0 13 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.933 111.0 47.9 -66.1 -47.7 31.7 16.9 10.1 78 79 A K H X S+ 0 0 49 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.865 111.1 52.7 -58.6 -39.5 30.8 13.4 8.8 79 80 A R H X S+ 0 0 34 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.932 110.5 45.0 -63.3 -49.8 28.1 13.2 11.5 80 81 A E H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 116.0 47.5 -61.5 -42.9 26.4 16.5 10.5 81 82 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.939 111.8 48.8 -65.0 -49.6 26.6 15.6 6.8 82 83 A K H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.894 113.2 47.7 -58.6 -42.0 25.2 12.1 7.2 83 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.902 111.5 50.9 -65.4 -41.7 22.3 13.4 9.3 84 85 A L H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 12,-0.4 0.843 112.9 45.8 -64.1 -36.5 21.6 16.1 6.7 85 86 A E H >< S+ 0 0 53 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.910 112.5 50.0 -74.3 -43.9 21.6 13.6 3.9 86 87 A N H 3< S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.1 39.7 -58.1 -38.4 19.4 11.1 5.8 87 88 A L T >< S+ 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.458 85.0 130.0 -93.2 -2.7 16.9 13.9 6.6 88 89 A R T < S+ 0 0 109 -3,-0.6 7,-0.1 -4,-0.5 6,-0.1 -0.304 73.9 19.6 -62.3 131.2 17.0 15.6 3.2 89 90 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.186 93.3 133.2 94.7 -14.2 13.5 16.3 1.8 90 91 A G S X S- 0 0 9 -3,-2.1 3,-1.5 1,-0.2 -1,-0.3 -0.186 71.3 -73.5 -65.5 160.1 11.8 15.9 5.2 91 92 A P T 3 S- 0 0 53 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 -0.397 111.4 -12.1 -62.0 121.8 9.1 18.4 6.4 92 93 A N T 3 S+ 0 0 12 1,-0.2 80,-3.4 -2,-0.2 2,-0.4 0.607 96.8 137.3 65.0 18.7 10.7 21.7 7.4 93 94 A I B < -f 172 0B 4 -3,-1.5 -4,-0.3 78,-0.2 -1,-0.2 -0.806 62.4-110.6 -93.2 132.0 14.3 20.3 7.4 94 95 A I - 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0 0 92 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.842 49.5-144.8-140.4 98.0 9.6 36.4 28.1 229 230 A E S S+ 0 0 76 -2,-0.3 2,-0.1 1,-0.2 -9,-0.1 -0.942 86.7 18.0-120.6 114.9 12.7 35.7 26.0 230 231 A P S S- 0 0 20 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.654 79.4-162.1 -79.6 160.4 14.5 33.6 27.2 231 232 A F S S+ 0 0 8 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.948 84.8 41.1 -71.7 -51.5 12.0 32.0 29.7 232 233 A F S S- 0 0 4 -37,-0.4 2,-0.6 -4,-0.0 -1,-0.2 -0.902 75.1-176.8-101.0 113.4 14.6 30.3 31.8 233 234 A H + 0 0 105 -2,-0.7 2,-0.2 -3,-0.1 -38,-0.0 -0.616 10.0 166.7-119.2 68.5 17.5 32.7 32.3 234 235 A G - 0 0 1 -2,-0.6 6,-0.2 1,-0.1 -39,-0.1 -0.523 38.8-136.7 -84.7 150.3 20.3 31.1 34.3 235 236 A H S S- 0 0 123 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.642 87.3 -5.9 -80.4 -14.8 23.9 32.6 34.6 236 237 A D S > S- 0 0 47 -42,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.928 89.1 -80.5-159.7-176.9 25.4 29.1 34.1 237 238 A N H > S+ 0 0 47 -2,-0.3 4,-1.0 2,-0.2 -3,-0.0 0.849 127.9 47.8 -63.4 -35.9 24.3 25.4 33.8 238 239 A Y H >> S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 3,-0.8 0.965 114.5 44.6 -66.0 -53.6 23.9 25.1 37.6 239 240 A D H 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.758 103.1 67.7 -63.3 -27.5 21.9 28.3 37.9 240 241 A Q H 3X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.895 100.8 48.1 -57.2 -42.1 19.9 27.2 34.9 241 242 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-1.8 0.940 111.1 52.4 -62.9 -48.2 13.8 25.9 36.3 245 246 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.3 -2,-0.2 0.793 100.7 61.1 -61.0 -32.7 13.2 24.8 39.9 246 247 A K H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.603 117.6 31.0 -70.4 -11.9 11.8 28.2 40.9 247 248 A V H <4 S+ 0 0 15 -3,-1.8 31,-2.8 -4,-0.3 -2,-0.2 0.772 128.9 33.6-107.0 -54.6 9.0 27.6 38.3 248 249 A L H < S- 0 0 0 -4,-2.9 4,-0.3 29,-0.2 -3,-0.2 0.663 112.2-119.3 -77.9 -17.0 8.4 23.8 38.3 249 250 A G X - 0 0 3 -4,-1.4 4,-0.6 -5,-0.5 27,-0.2 0.118 9.9-102.9 91.5 153.4 9.3 23.4 42.0 250 251 A T H > S+ 0 0 10 25,-2.7 4,-2.3 2,-0.2 5,-0.2 0.689 108.7 69.1 -85.8 -20.7 12.0 21.5 43.8 251 252 A E H > S+ 0 0 143 24,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.937 103.3 42.5 -64.8 -48.2 9.7 18.6 45.0 252 253 A D H > S+ 0 0 64 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.760 111.7 58.0 -69.4 -26.0 9.2 17.2 41.5 253 254 A L H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.952 109.3 42.1 -65.0 -51.9 12.9 17.7 40.8 254 255 A Y H X S+ 0 0 78 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.783 112.8 54.1 -69.4 -28.2 14.1 15.6 43.8 255 256 A D H X S+ 0 0 87 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.865 109.4 50.1 -67.0 -38.6 11.4 13.0 42.9 256 257 A Y H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.940 112.2 44.4 -63.3 -50.2 12.9 12.9 39.4 257 258 A I H <>S+ 0 0 27 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.843 114.7 50.8 -68.3 -31.8 16.5 12.4 40.6 258 259 A D H ><5S+ 0 0 121 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.911 108.2 52.0 -68.1 -45.2 15.3 9.8 43.1 259 260 A K H 3<5S+ 0 0 103 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.3 34.7 -56.3 -47.4 13.3 7.9 40.4 260 261 A Y T 3<5S- 0 0 3 -4,-2.0 -256,-2.2 -5,-0.1 -1,-0.2 0.346 107.2-123.7 -93.0 6.3 16.4 7.7 38.1 261 262 A N T < 5 - 0 0 81 -3,-0.8 2,-0.4 -4,-0.3 -3,-0.2 0.904 43.1-175.7 51.2 47.8 18.9 7.4 41.0 262 263 A I < - 0 0 11 -5,-2.7 2,-1.0 -6,-0.1 -1,-0.2 -0.609 27.5-130.3 -81.1 128.2 20.8 10.4 39.7 263 264 A E - 0 0 182 -2,-0.4 2,-0.2 -59,-0.2 -1,-0.1 -0.693 30.7-150.0 -79.1 102.2 24.0 11.3 41.5 264 265 A L - 0 0 34 -2,-1.0 -61,-0.1 1,-0.1 -60,-0.1 -0.502 16.4-108.4 -80.9 142.7 23.4 15.1 42.2 265 266 A D >> - 0 0 59 -2,-0.2 3,-1.1 1,-0.1 4,-0.7 -0.439 21.0-127.8 -66.4 138.1 26.4 17.5 42.4 266 267 A P H >> S+ 0 0 94 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.824 107.9 65.5 -53.7 -36.1 27.2 18.8 45.9 267 268 A R H 3> S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.831 95.0 58.8 -54.8 -36.4 27.0 22.4 44.5 268 269 A F H <> S+ 0 0 4 -3,-1.1 4,-2.5 1,-0.2 5,-0.3 0.841 92.6 67.2 -63.8 -35.2 23.3 21.9 43.8 269 270 A N H - 0 0 155 -2,-0.5 3,-1.1 1,-0.1 4,-0.2 -0.327 15.9-122.9 -68.1 150.1 1.2 27.9 38.2 280 281 A W G > S+ 0 0 16 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.764 107.0 69.4 -67.7 -26.1 1.3 29.0 34.6 281 282 A E G > S+ 0 0 96 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.776 83.9 72.5 -61.9 -28.8 -1.4 31.6 35.0 282 283 A R G < S+ 0 0 177 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.661 96.0 51.3 -58.9 -20.1 1.1 33.6 37.1 283 284 A F G < S+ 0 0 46 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.510 88.9 98.3 -95.2 -9.6 3.0 34.4 33.9 284 285 A V < + 0 0 47 -3,-1.4 2,-0.3 -4,-0.3 -58,-0.1 -0.640 48.8 153.1 -80.6 134.2 -0.1 35.7 32.0 285 286 A H >> - 0 0 97 -2,-0.3 4,-2.2 -59,-0.0 3,-1.4 -0.894 58.5 -74.4-150.1-178.4 -0.6 39.5 32.0 286 287 A S T 34 S+ 0 0 88 -2,-0.3 4,-0.3 1,-0.3 -2,-0.0 0.743 125.0 47.8 -54.0 -32.2 -2.2 42.3 30.0 287 288 A E T 34 S+ 0 0 113 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.613 123.5 29.1 -89.8 -14.8 0.4 42.2 27.2 288 289 A N T X> S+ 0 0 0 -3,-1.4 3,-2.3 2,-0.1 4,-0.7 0.457 87.4 101.1-119.6 -7.3 0.5 38.4 26.6 289 290 A Q G >< S+ 0 0 112 -4,-2.2 3,-1.3 1,-0.3 -3,-0.1 0.835 79.1 59.6 -43.7 -44.0 -3.1 37.4 27.5 290 291 A H G 34 S+ 0 0 78 -4,-0.3 -1,-0.3 1,-0.3 -161,-0.2 0.667 105.0 48.5 -64.2 -20.6 -4.1 37.3 23.9 291 292 A L G <4 S+ 0 0 0 -3,-2.3 2,-0.3 -66,-0.3 -1,-0.3 0.519 102.1 80.2 -94.5 -9.7 -1.5 34.6 23.1 292 293 A V << + 0 0 23 -3,-1.3 3,-0.1 -4,-0.7 -163,-0.1 -0.721 49.0 156.0-105.3 147.8 -2.5 32.4 26.1 293 294 A S > - 0 0 16 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.959 55.9 -96.8-155.5 165.7 -5.4 30.0 26.5 294 295 A P H > S+ 0 0 106 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.917 126.5 48.5 -52.0 -45.2 -6.3 26.9 28.6 295 296 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.875 109.7 52.0 -65.4 -38.5 -5.1 24.7 25.7 296 297 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 112.6 45.1 -61.7 -45.7 -1.8 26.6 25.4 297 298 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.880 113.2 49.9 -67.3 -39.3 -1.1 26.3 29.1 298 299 A D H X S+ 0 0 64 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.865 112.7 48.2 -65.6 -38.6 -2.0 22.5 29.1 299 300 A F H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 4,-0.3 0.954 114.0 45.0 -64.6 -52.6 0.2 22.0 26.1 300 301 A L H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.7 0.902 108.9 58.3 -56.4 -44.5 3.2 23.9 27.7 301 302 A D H 3< S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 105.3 49.7 -53.4 -39.6 2.5 22.0 31.0 302 303 A K T 3< S+ 0 0 54 -4,-1.3 10,-2.2 -3,-0.4 -1,-0.3 0.370 113.8 45.8 -86.6 1.5 3.0 18.7 29.2 303 304 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.9 -4,-0.3 -2,-0.2 0.758 101.9 62.2-103.1 -48.9 6.3 19.8 27.6 304 305 A L S < S+ 0 0 0 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.1 -0.515 74.5 131.3 -84.1 73.9 8.1 21.4 30.5 305 306 A R - 0 0 75 -2,-1.9 6,-0.1 -3,-0.2 -3,-0.0 -0.959 59.0-136.2-122.1 144.2 8.4 18.4 32.9 306 307 A Y S S+ 0 0 6 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.951 92.3 75.2 -58.5 -51.1 11.5 17.2 34.7 307 308 A D > - 0 0 28 1,-0.2 3,-1.3 -3,-0.1 4,-0.5 -0.535 69.9-160.0 -72.4 107.0 10.8 13.5 33.8 308 309 A H G > S+ 0 0 2 -2,-0.7 3,-0.8 1,-0.3 -1,-0.2 0.807 90.8 58.7 -55.8 -33.7 11.7 13.2 30.1 309 310 A Q G 3 S+ 0 0 58 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.748 102.0 55.2 -67.3 -25.9 9.5 10.1 29.8 310 311 A S G < S+ 0 0 40 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.502 86.5 101.1 -87.8 -8.5 6.4 12.1 30.9 311 312 A R S < S- 0 0 2 -3,-0.8 -8,-0.2 -4,-0.5 -9,-0.1 -0.455 84.9 -97.2 -73.2 150.1 6.8 14.8 28.2 312 313 A L - 0 0 22 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.395 37.2-127.9 -57.4 141.2 4.6 14.7 25.1 313 314 A T > - 0 0 15 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.437 30.1-101.4 -79.7 168.8 6.3 13.1 22.1 314 315 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -170,-0.1 0.917 124.7 47.1 -59.5 -45.0 6.3 15.1 18.8 315 316 A R H > S+ 0 0 110 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.906 113.1 48.7 -63.6 -44.0 3.4 13.1 17.4 316 317 A E H >4 S+ 0 0 66 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.909 109.5 53.3 -59.9 -43.4 1.4 13.4 20.6 317 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 6,-0.2 0.903 102.4 57.5 -59.7 -43.0 2.0 17.2 20.6 318 319 A M H 3< S+ 0 0 29 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.648 105.6 52.1 -62.5 -17.5 0.7 17.5 17.1 319 320 A E T << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.321 83.7 119.8-100.1 5.1 -2.6 15.9 18.3 320 321 A H S X S- 0 0 11 -3,-1.9 3,-2.4 -4,-0.2 4,-0.3 -0.457 76.9-116.6 -72.8 141.7 -3.1 18.4 21.2 321 322 A P G > S+ 0 0 59 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.706 109.6 76.0 -45.9 -27.0 -6.2 20.6 21.3 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.2 -26,-0.1 0.822 99.4 42.7 -53.4 -34.3 -3.8 23.6 21.0 323 324 A F G X S+ 0 0 0 -3,-2.4 3,-1.8 -6,-0.2 -1,-0.2 0.368 80.7 101.6 -99.4 2.5 -3.4 22.8 17.3 324 325 A Y T < S+ 0 0 171 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.812 84.3 53.0 -53.7 -32.6 -7.1 22.0 16.5 325 326 A T T 3 S+ 0 0 81 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.596 122.1 28.1 -79.2 -14.6 -7.3 25.5 15.0 326 327 A V < 0 0 25 -3,-1.8 -2,-0.1 -193,-0.1 -192,-0.1 0.573 360.0 360.0-107.8 -99.1 -4.2 24.8 12.7 327 328 A V 0 0 110 -4,-0.1 -193,-0.1 -9,-0.1 -3,-0.0 0.994 360.0 360.0 49.5 360.0 -3.3 21.2 11.5