==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-10 3MB7 . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-B.REISER,R.PRUDENT,C.COCHET . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 67.3 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 12.1 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 26.7 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 3 2 0 0 0 0 2 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 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 0 173 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.8 -0.5 -25.1 29.6 2 3 A G + 0 0 48 1,-0.2 260,-0.0 260,-0.0 0, 0.0 0.721 360.0 23.0 -83.3-104.9 -0.2 -21.4 30.4 3 4 A P S S- 0 0 73 0, 0.0 258,-0.2 0, 0.0 -1,-0.2 -0.252 78.3-114.5 -71.6 146.0 -0.5 -19.0 27.4 4 5 A V - 0 0 54 256,-2.3 255,-0.0 -3,-0.1 258,-0.0 -0.628 43.2-113.7 -67.6 131.4 -2.2 -19.8 24.1 5 6 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.182 31.1-156.0 -66.6 163.5 0.4 -19.9 21.4 6 7 A S - 0 0 3 202,-0.1 178,-0.6 201,-0.1 2,-0.3 -0.979 8.2-163.6-140.6 153.0 0.6 -17.3 18.5 7 8 A R - 0 0 112 -2,-0.3 202,-0.1 176,-0.1 5,-0.1 -0.986 32.2-104.1-133.1 144.8 2.0 -17.1 15.0 8 9 A A - 0 0 4 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.366 25.3-140.7 -56.1 145.0 2.7 -14.2 12.6 9 10 A R S S+ 0 0 186 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.590 84.4 39.4 -88.8 -10.9 -0.1 -14.0 9.9 10 11 A V S S+ 0 0 53 1,-0.1 200,-0.2 2,-0.1 -2,-0.1 -0.935 120.0 10.5-133.7 157.1 2.5 -13.1 7.2 11 12 A Y S > S+ 0 0 68 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.792 79.1 155.1 47.0 35.9 6.1 -14.3 6.5 12 13 A T T 3 + 0 0 34 1,-0.2 3,-0.2 2,-0.1 -4,-0.1 0.895 67.7 22.8 -63.1 -45.6 5.5 -16.9 9.1 13 14 A D T >> S+ 0 0 82 1,-0.2 4,-0.9 169,-0.1 3,-0.6 0.160 81.4 119.7-113.8 15.6 8.0 -19.6 7.9 14 15 A V H <> S+ 0 0 37 -3,-0.7 4,-0.5 1,-0.2 3,-0.5 0.845 77.5 48.6 -52.9 -41.0 10.5 -17.5 5.9 15 16 A N H >4 S+ 0 0 1 166,-0.4 3,-0.8 -4,-0.3 -1,-0.2 0.836 100.8 62.6 -72.2 -31.8 13.5 -18.5 8.2 16 17 A T H <4 S+ 0 0 87 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.4 51.0 -66.8 -25.6 12.9 -22.2 8.3 17 18 A H H 3< S+ 0 0 160 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.693 97.1 93.6 -82.8 -20.2 13.4 -22.6 4.5 18 19 A R S << S- 0 0 92 -3,-0.8 2,-0.1 -4,-0.5 -3,-0.0 -0.209 90.9 -92.5 -69.1 157.1 16.7 -20.6 4.8 19 20 A P >> - 0 0 71 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.461 42.6-112.8 -60.1 144.2 20.2 -22.1 5.2 20 21 A R H >> S+ 0 0 144 1,-0.3 4,-2.6 2,-0.2 3,-1.0 0.854 114.6 65.1 -45.8 -43.3 21.1 -22.2 8.9 21 22 A E H 34 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.750 87.9 68.5 -58.0 -30.1 23.7 -19.6 8.4 22 23 A Y H <4 S+ 0 0 18 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.910 121.5 13.4 -54.2 -47.3 21.1 -16.9 7.4 23 24 A W H << S+ 0 0 56 -3,-1.0 2,-2.3 -4,-0.6 -2,-0.2 0.591 103.0 91.1-108.6 -17.1 19.7 -16.8 11.0 24 25 A D >< + 0 0 20 -4,-2.6 3,-1.9 1,-0.2 4,-0.3 -0.447 48.5 165.2 -81.2 68.6 22.3 -18.7 13.0 25 26 A Y G > + 0 0 21 -2,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.708 62.1 74.1 -62.3 -22.3 24.2 -15.4 13.8 26 27 A E G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.789 98.7 46.9 -60.4 -28.3 26.2 -17.1 16.6 27 28 A S G < S+ 0 0 81 -3,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 0.428 85.8 123.7 -94.1 -3.1 28.2 -18.8 13.9 28 29 A H < - 0 0 27 -3,-1.3 2,-0.6 -4,-0.3 50,-0.0 -0.322 54.4-142.5 -64.2 138.3 28.8 -15.7 11.8 29 30 A V - 0 0 128 -2,-0.0 2,-0.1 49,-0.0 -1,-0.1 -0.918 19.7-130.5-106.1 114.6 32.4 -14.8 11.0 30 31 A V - 0 0 24 -2,-0.6 2,-0.5 1,-0.1 48,-0.0 -0.404 10.4-143.4 -68.7 133.4 33.0 -11.0 11.0 31 32 A E - 0 0 161 -2,-0.1 2,-0.4 69,-0.0 68,-0.2 -0.890 21.9-145.2 -97.5 125.7 34.8 -9.5 8.1 32 33 A W - 0 0 100 -2,-0.5 68,-0.2 66,-0.1 2,-0.1 -0.752 12.6-163.8-103.5 137.4 37.0 -6.6 9.2 33 34 A G - 0 0 22 66,-3.4 2,-0.7 -2,-0.4 68,-0.3 -0.154 41.4 -74.6 -95.7-163.0 37.9 -3.3 7.5 34 35 A N > - 0 0 96 1,-0.1 3,-2.2 66,-0.1 4,-0.2 -0.875 29.6-158.9-106.0 109.6 40.7 -0.9 8.2 35 36 A Q G > S+ 0 0 37 -2,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.816 89.3 67.7 -53.3 -34.1 40.2 1.3 11.2 36 37 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 21,-0.0 22,-0.1 0.618 83.0 74.5 -68.3 -11.0 42.7 3.9 9.9 37 38 A D G < S+ 0 0 40 -3,-2.2 21,-2.6 20,-0.1 22,-0.6 0.655 92.9 68.3 -67.1 -15.8 40.2 4.8 7.1 38 39 A Y E < -A 57 0A 22 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.923 56.7-172.1-123.0 130.9 38.1 6.6 9.8 39 40 A Q E -A 56 0A 120 17,-2.3 17,-2.4 -2,-0.4 2,-0.1 -0.980 27.0-129.7-115.7 121.7 38.6 9.7 11.8 40 41 A L E +A 55 0A 57 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.462 25.0 180.0 -70.0 142.3 36.1 10.5 14.6 41 42 A V E - 0 0 81 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.798 58.2 -17.0-112.3 -51.3 34.7 14.1 14.4 42 43 A R E -A 54 0A 148 12,-1.6 12,-3.0 0, 0.0 -1,-0.4 -0.972 63.5-106.1-158.8 147.8 32.3 14.5 17.3 43 44 A K E -A 53 0A 114 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.576 27.2-178.3 -73.2 134.9 30.2 12.4 19.7 44 45 A L E - 0 0 86 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.757 59.6 -33.0-102.0 -37.5 26.5 12.2 18.9 45 46 A G E -A 52 0A 32 7,-1.6 7,-2.9 2,-0.0 -1,-0.4 -0.991 44.4-133.2-171.1 172.2 25.3 10.1 21.8 46 47 A R E -A 51 0A 180 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.997 19.5-178.2-139.3 134.4 25.9 7.3 24.2 47 48 A G - 0 0 45 3,-2.9 -2,-0.0 -2,-0.4 5,-0.0 -0.591 48.9 -89.9-114.9-175.3 23.6 4.4 25.2 48 49 A K S S+ 0 0 159 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.659 127.3 30.9 -67.6 -15.9 23.9 1.6 27.6 49 50 A Y S S+ 0 0 67 1,-0.2 21,-2.6 22,-0.1 2,-0.3 0.569 123.2 10.5-121.3 -17.1 25.5 -0.5 24.9 50 51 A S E - B 0 69A 20 19,-0.2 -3,-2.9 20,-0.1 2,-0.4 -0.963 53.3-125.9-155.9 170.6 27.4 1.9 22.6 51 52 A E E -AB 46 68A 31 17,-1.7 17,-2.9 -2,-0.3 2,-0.4 -0.990 26.5-151.7-123.7 137.2 28.8 5.3 21.7 52 53 A V E -AB 45 67A 38 -7,-2.9 -8,-3.3 -2,-0.4 -7,-1.6 -0.930 15.1-177.9-117.5 132.3 27.9 7.0 18.4 53 54 A F E -AB 43 66A 25 13,-2.8 13,-2.8 -2,-0.4 2,-0.4 -0.944 30.4-127.1-127.7 144.3 30.1 9.4 16.6 54 55 A E E +AB 42 65A 15 -12,-3.0 -13,-3.0 -2,-0.3 -12,-1.6 -0.753 48.1 168.3 -76.4 138.7 30.0 11.6 13.5 55 56 A A E -AB 40 64A 0 9,-2.8 9,-2.7 -2,-0.4 2,-0.4 -0.891 31.8-121.5-145.0 173.8 33.2 10.7 11.5 56 57 A I E -AB 39 63A 44 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.9 -0.982 14.4-136.2-123.5 135.7 34.9 11.1 8.2 57 58 A N E >>> -AB 38 62A 17 5,-3.2 4,-1.7 -2,-0.4 5,-0.8 -0.840 19.9-161.1 -84.7 110.2 36.1 8.4 5.8 58 59 A I T 345S+ 0 0 96 -21,-2.6 -1,-0.1 -2,-0.9 -20,-0.1 0.625 82.9 65.4 -76.3 -11.9 39.5 9.9 5.0 59 60 A T T 345S+ 0 0 101 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.867 124.4 11.4 -70.4 -41.1 39.8 7.7 1.9 60 61 A N T <45S- 0 0 85 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.353 97.1-121.6-121.8 2.4 36.9 9.4 0.1 61 62 A N T <5 + 0 0 121 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.710 63.0 147.0 56.0 26.2 36.3 12.4 2.4 62 63 A E E < -B 57 0A 120 -5,-0.8 -5,-3.2 1,-0.0 -1,-0.2 -0.723 51.8-115.8 -92.9 140.1 32.7 11.2 3.0 63 64 A K E +B 56 0A 110 -2,-0.3 51,-0.7 -7,-0.2 2,-0.3 -0.449 41.4 172.0 -67.0 141.0 30.8 11.7 6.3 64 65 A V E -BC 55 113A 9 -9,-2.7 -9,-2.8 49,-0.2 2,-0.5 -0.919 31.0-121.5-141.8 169.7 29.9 8.5 8.1 65 66 A V E -BC 54 112A 24 47,-2.5 47,-3.0 -2,-0.3 2,-0.5 -0.976 22.8-159.2-118.2 130.0 28.5 7.5 11.5 66 67 A V E -BC 53 111A 0 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.6 -0.942 4.8-167.3-115.0 122.2 30.6 5.2 13.8 67 68 A K E -BC 52 110A 13 43,-3.0 43,-2.7 -2,-0.5 2,-0.7 -0.934 8.6-157.2-108.6 110.3 29.0 3.2 16.5 68 69 A I E -BC 51 109A 8 -17,-2.9 -17,-1.7 -2,-0.6 41,-0.2 -0.804 20.7-138.4 -91.7 114.4 31.5 1.7 18.9 69 70 A L E +B 50 0A 7 39,-2.5 -19,-0.2 -2,-0.7 38,-0.1 -0.319 36.0 160.7 -78.0 153.0 29.9 -1.3 20.6 70 71 A K + 0 0 85 -21,-2.6 -20,-0.1 3,-0.1 2,-0.1 -0.076 17.9 162.8-157.8 45.3 30.1 -2.3 24.3 71 72 A P - 0 0 15 0, 0.0 -22,-0.1 0, 0.0 6,-0.1 -0.443 37.8-141.7 -75.5 146.4 27.2 -4.8 25.0 72 73 A V S S+ 0 0 129 1,-0.2 2,-1.1 -2,-0.1 3,-0.1 0.908 100.8 57.6 -69.8 -44.1 27.3 -6.9 28.1 73 74 A K S > S- 0 0 121 1,-0.1 3,-1.4 2,-0.0 4,-0.2 -0.796 78.6-168.4 -83.0 99.6 25.7 -9.8 26.2 74 75 A K T >> S+ 0 0 162 -2,-1.1 3,-1.1 1,-0.3 4,-0.6 0.626 75.9 73.2 -73.1 -13.9 28.4 -10.0 23.5 75 76 A K H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.716 83.3 72.0 -69.0 -21.2 26.4 -12.3 21.2 76 77 A K H <> S+ 0 0 27 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.728 87.6 64.5 -61.9 -26.7 24.2 -9.3 20.4 77 78 A I H <> S+ 0 0 22 -3,-1.1 4,-2.4 -4,-0.2 -1,-0.2 0.967 104.5 42.1 -61.4 -55.7 27.2 -8.0 18.4 78 79 A K H X S+ 0 0 76 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.850 112.9 55.7 -60.3 -36.7 27.0 -10.8 15.9 79 80 A R H X S+ 0 0 19 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.936 110.4 43.2 -61.4 -49.0 23.2 -10.5 15.8 80 81 A E H X S+ 0 0 13 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 116.0 48.6 -64.9 -43.4 23.2 -6.8 14.9 81 82 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.935 113.3 46.8 -61.8 -46.0 26.0 -7.4 12.3 82 83 A K H X S+ 0 0 31 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.922 112.9 49.2 -65.9 -43.0 24.2 -10.4 10.7 83 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.953 110.9 49.6 -60.2 -49.6 20.9 -8.6 10.5 84 85 A L H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 12,-0.3 0.856 113.9 46.4 -55.3 -39.5 22.5 -5.5 9.0 85 86 A E H >< S+ 0 0 48 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.921 111.5 50.8 -70.5 -44.1 24.2 -7.6 6.4 86 87 A N H 3< S+ 0 0 23 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 118.4 38.9 -58.3 -37.8 21.1 -9.6 5.6 87 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.2 0.481 83.4 133.1 -95.1 -5.4 19.1 -6.4 5.1 88 89 A R T << S+ 0 0 108 -4,-0.7 7,-0.1 -3,-0.6 6,-0.1 -0.209 73.6 17.6 -58.1 131.7 21.7 -4.4 3.3 89 90 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.322 91.7 134.9 87.3 -5.2 20.4 -2.6 0.2 90 91 A G S X S- 0 0 9 -3,-2.2 3,-1.7 1,-0.1 -1,-0.3 -0.335 71.5 -71.9 -69.3 157.7 16.7 -3.0 1.2 91 92 A P T 3 S- 0 0 61 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.318 112.3 -12.2 -57.6 121.5 14.4 0.1 0.9 92 93 A N T 3 S+ 0 0 20 1,-0.2 80,-3.1 -2,-0.1 2,-0.5 0.617 96.5 139.1 63.3 18.4 15.1 2.7 3.5 93 94 A I B < -e 172 0B 3 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.2 -0.815 61.6-109.6 -90.9 127.6 17.4 0.4 5.6 94 95 A I - 0 0 6 78,-1.8 2,-0.5 -2,-0.5 -4,-0.1 -0.300 35.4-122.8 -54.0 135.4 20.5 2.1 6.9 95 96 A T - 0 0 50 -7,-0.1 18,-2.0 -6,-0.1 2,-0.8 -0.752 8.6-141.7 -88.2 124.2 23.6 0.8 5.1 96 97 A L E -D 112 0A 2 -2,-0.5 16,-0.3 -12,-0.3 3,-0.1 -0.795 21.7-178.3 -78.2 113.1 26.4 -0.7 7.1 97 98 A A E - 0 0 57 14,-2.9 2,-0.3 -2,-0.8 15,-0.2 0.786 57.5 -15.9 -85.7 -30.7 29.4 0.6 5.2 98 99 A D E -D 111 0A 34 13,-1.6 13,-2.9 -65,-0.1 2,-0.4 -0.980 46.8-138.3-166.1 164.1 32.2 -1.2 7.2 99 100 A I E +D 110 0A 6 -2,-0.3 -66,-3.4 11,-0.2 2,-0.3 -0.977 32.3 171.2-134.7 120.3 33.1 -3.0 10.4 100 101 A V E -D 109 0A 0 9,-2.4 9,-3.1 -2,-0.4 2,-0.6 -0.897 35.8-112.7-129.0 159.0 36.4 -2.1 12.1 101 102 A K E -D 108 0A 101 -68,-0.3 -66,-0.2 -2,-0.3 -33,-0.0 -0.831 29.6-137.0 -90.1 120.2 38.2 -2.9 15.3 102 103 A D > - 0 0 18 5,-2.5 4,-2.0 -2,-0.6 5,-0.2 -0.683 7.0-148.8 -75.8 128.7 38.5 0.2 17.5 103 104 A P T 4 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.751 92.9 45.1 -71.6 -25.4 42.1 0.3 19.0 104 105 A V T 4 S+ 0 0 126 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.923 124.8 29.4 -85.3 -49.4 41.0 2.0 22.2 105 106 A S T 4 S- 0 0 32 2,-0.2 -1,-0.1 1,-0.0 -4,-0.0 0.798 90.9-144.5 -76.1 -27.7 37.9 0.0 23.1 106 107 A R < + 0 0 199 -4,-2.0 -1,-0.0 1,-0.3 -5,-0.0 0.641 64.7 114.8 62.3 20.6 39.2 -3.1 21.4 107 108 A T S S- 0 0 32 -5,-0.2 -5,-2.5 -38,-0.1 -1,-0.3 -0.727 77.9 -81.1-113.6 162.3 35.6 -3.7 20.4 108 109 A P E - D 0 101A 20 0, 0.0 -39,-2.5 0, 0.0 2,-0.5 -0.360 37.3-156.8 -62.8 140.5 33.8 -3.7 17.1 109 110 A A E -CD 68 100A 0 -9,-3.1 -9,-2.4 -41,-0.2 2,-0.4 -0.987 7.6-147.2-120.4 118.4 32.9 -0.4 15.5 110 111 A L E -CD 67 99A 0 -43,-2.7 -43,-3.0 -2,-0.5 2,-0.5 -0.721 8.8-152.1 -87.5 130.6 30.0 -0.3 13.0 111 112 A V E -CD 66 98A 0 -13,-2.9 -14,-2.9 -2,-0.4 -13,-1.6 -0.929 18.1-176.7-108.3 123.6 30.3 2.2 10.2 112 113 A F E -CD 65 96A 18 -47,-3.0 -47,-2.5 -2,-0.5 -16,-0.2 -0.840 34.4 -91.8-118.9 154.4 27.1 3.5 8.7 113 114 A E E -C 64 0A 41 -18,-2.0 2,-0.2 -2,-0.3 -49,-0.2 -0.284 51.9-111.9 -52.2 141.7 26.1 5.8 5.9 114 115 A H - 0 0 40 -51,-0.7 2,-0.4 -50,-0.1 -1,-0.1 -0.569 27.5-163.5 -80.1 144.7 25.6 9.4 7.2 115 116 A V - 0 0 12 -2,-0.2 2,-1.6 48,-0.0 48,-0.1 -1.000 17.9-141.6-124.1 131.0 22.1 10.9 7.4 116 117 A N - 0 0 91 -2,-0.4 50,-0.3 46,-0.1 49,-0.2 -0.637 39.7-167.2 -87.2 79.8 21.9 14.7 7.8 117 118 A N - 0 0 67 -2,-1.6 2,-0.5 47,-0.2 47,-0.3 -0.361 24.7-133.8 -81.5 146.4 18.9 14.4 10.1 118 119 A T - 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0 0 93 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.879 52.7-141.7-140.4 103.1 1.2 15.0 21.1 229 230 A E S S+ 0 0 58 -2,-0.4 2,-0.1 1,-0.2 -9,-0.1 -0.920 88.1 17.0-122.3 108.2 4.7 13.6 21.5 230 231 A P S S- 0 0 7 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.556 79.5-159.3 -82.1 166.7 4.7 10.9 22.8 231 232 A F S S+ 0 0 11 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.935 86.6 40.1 -77.2 -49.3 1.1 9.8 22.6 232 233 A F S S- 0 0 3 -37,-0.3 2,-1.1 -4,-0.0 -1,-0.3 -0.883 79.0-170.4-101.4 101.5 1.0 7.3 25.4 233 234 A H + 0 0 85 -2,-0.8 2,-0.1 -3,-0.2 -38,-0.0 -0.555 9.8 176.0-103.3 72.0 3.1 9.0 28.1 234 235 A G - 0 0 1 -2,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.387 32.2-145.4 -75.0 150.7 3.7 6.4 30.8 235 236 A H S S- 0 0 124 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.692 86.0 -10.3 -82.2 -22.8 5.9 7.0 33.9 236 237 A D S > S- 0 0 70 -42,-0.1 4,-1.7 0, 0.0 -1,-0.1 -0.890 90.4 -77.6-158.8-176.2 7.0 3.4 33.9 237 238 A N H > S+ 0 0 50 -2,-0.3 4,-0.9 2,-0.2 -3,-0.0 0.752 127.2 47.8 -69.2 -23.1 6.0 0.1 32.1 238 239 A Y H >> S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.936 112.7 45.7 -82.6 -50.7 3.0 -0.4 34.3 239 240 A D H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.792 104.1 68.2 -57.7 -27.9 1.6 3.1 34.0 240 241 A Q H 3X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.916 101.2 44.9 -61.2 -42.5 2.3 2.7 30.3 241 242 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 3,-1.6 0.922 109.5 53.7 -61.8 -43.8 -3.1 2.8 26.7 245 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.821 98.4 63.6 -66.2 -29.3 -6.2 1.4 28.5 246 247 A K H 3< S+ 0 0 97 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.671 116.4 30.5 -67.4 -15.8 -7.5 5.0 29.1 247 248 A V H <4 S+ 0 0 14 -3,-1.6 31,-3.0 -4,-0.4 -2,-0.2 0.808 129.0 34.4-104.2 -52.9 -7.7 5.3 25.2 248 249 A L H < S- 0 0 1 -4,-2.8 4,-0.3 29,-0.2 29,-0.2 0.596 110.7-120.0 -84.5 -12.7 -8.5 1.8 24.0 249 250 A G X - 0 0 2 -4,-1.8 4,-0.8 -5,-0.4 27,-0.2 0.204 10.8-102.9 87.6 151.4 -10.6 0.8 27.0 250 251 A T H > S+ 0 0 4 25,-2.2 4,-2.7 2,-0.2 5,-0.2 0.781 111.0 66.2 -79.3 -29.1 -10.2 -1.9 29.6 251 252 A E H > S+ 0 0 154 24,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.929 104.7 43.6 -61.5 -45.0 -12.9 -4.3 28.2 252 253 A D H > S+ 0 0 60 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.825 111.1 56.6 -67.6 -32.2 -10.9 -4.9 25.0 253 254 A L H X S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 5,-0.2 0.946 109.6 44.8 -60.9 -48.5 -7.7 -5.3 27.1 254 255 A Y H X S+ 0 0 90 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.905 110.0 54.7 -64.7 -37.2 -9.3 -8.0 29.1 255 256 A D H X S+ 0 0 101 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.912 109.9 49.6 -57.8 -41.7 -10.7 -9.6 25.9 256 257 A Y H X S+ 0 0 7 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.942 113.0 42.5 -62.6 -54.2 -7.0 -9.7 24.7 257 258 A I H <>S+ 0 0 7 -4,-2.5 5,-2.9 1,-0.2 4,-0.4 0.890 114.5 53.2 -65.1 -35.1 -5.5 -11.2 27.7 258 259 A D H ><5S+ 0 0 96 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 0.868 103.9 56.3 -64.3 -39.1 -8.4 -13.7 27.9 259 260 A K H 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.6 36.6 -56.8 -43.7 -7.9 -14.8 24.3 260 261 A Y T 3<5S- 0 0 2 -4,-1.6 -256,-2.3 -5,-0.1 -1,-0.2 0.342 110.5-118.2 -97.1 7.7 -4.3 -15.7 25.0 261 262 A N T < 5 + 0 0 106 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.887 62.8 153.1 55.5 41.8 -5.0 -17.1 28.5 262 263 A I < - 0 0 21 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.775 35.7-147.6 -97.6 144.8 -2.6 -14.4 29.9 263 264 A E - 0 0 173 -2,-0.3 2,-0.1 -60,-0.2 -5,-0.0 -0.930 19.3-122.0-108.9 137.7 -2.9 -13.0 33.5 264 265 A L - 0 0 17 -2,-0.4 -61,-0.1 1,-0.1 5,-0.1 -0.468 40.3 -90.3 -70.3 149.0 -2.0 -9.4 34.3 265 266 A D > - 0 0 61 1,-0.2 3,-2.6 -2,-0.1 4,-0.2 -0.413 38.5-122.3 -48.4 129.1 0.7 -8.8 36.9 266 267 A P G > S+ 0 0 95 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.711 106.7 84.9 -56.3 -17.1 -1.4 -8.5 40.1 267 268 A R G > S+ 0 0 137 1,-0.3 3,-0.6 2,-0.1 5,-0.1 0.787 81.7 60.1 -44.8 -35.3 0.3 -5.1 40.3 268 269 A F G X> S+ 0 0 2 -3,-2.6 4,-2.4 1,-0.2 3,-1.5 0.620 77.5 92.6 -77.7 -13.6 -2.6 -3.9 38.0 269 270 A N G <4 S+ 0 0 120 -3,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.832 98.2 26.8 -47.4 -44.6 -5.4 -4.8 40.4 270 271 A D G <4 S+ 0 0 156 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.109 127.0 43.1-114.6 18.8 -5.5 -1.4 42.1 271 272 A I T <4 S+ 0 0 83 -3,-1.5 -2,-0.2 2,-0.1 -3,-0.1 0.546 95.9 68.0-131.8 -23.5 -4.3 0.9 39.2 272 273 A L S < S+ 0 0 1 -4,-2.4 -3,-0.1 1,-0.1 -2,-0.1 0.901 71.0 175.0 -73.2 -42.7 -5.9 -0.3 36.0 273 274 A G - 0 0 52 -5,-0.4 2,-0.4 -4,-0.3 -1,-0.1 -0.259 42.1 -62.0 70.8-157.8 -9.5 0.7 36.7 274 275 A R + 0 0 235 -24,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.954 57.6 174.8-134.9 108.2 -12.5 0.5 34.3 275 276 A H - 0 0 47 -2,-0.4 -25,-2.2 -30,-0.1 -24,-0.7 -0.944 24.5-132.5-125.2 136.8 -12.2 2.6 31.1 276 277 A S - 0 0 79 -2,-0.4 -27,-0.4 -27,-0.2 2,-0.3 -0.470 37.4 -97.8 -76.7 154.6 -14.5 2.9 28.0 277 278 A R - 0 0 83 -29,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.593 44.4-136.8 -67.4 131.1 -13.0 2.8 24.5 278 279 A K - 0 0 39 -31,-3.0 2,-0.3 -2,-0.3 -31,-0.0 -0.674 9.7-118.0 -93.3 147.6 -12.6 6.4 23.3 279 280 A R > - 0 0 202 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.644 26.5-123.0 -77.4 142.2 -13.5 7.6 19.8 280 281 A W G > S+ 0 0 18 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.783 106.5 74.3 -60.9 -27.0 -10.4 9.0 18.1 281 282 A E G > S+ 0 0 124 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.734 78.1 78.2 -55.3 -24.6 -12.1 12.4 17.6 282 283 A R G < S+ 0 0 169 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.798 93.2 49.3 -52.8 -30.7 -11.5 12.9 21.3 283 284 A F G < S+ 0 0 45 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 0.412 90.1 100.6 -97.5 1.9 -7.9 13.8 20.5 284 285 A V < + 0 0 48 -3,-1.7 2,-0.3 -4,-0.2 -58,-0.1 -0.698 42.8 154.7 -90.6 136.2 -8.7 16.3 17.8 285 286 A H >> - 0 0 82 -2,-0.4 4,-1.5 -59,-0.0 3,-1.2 -0.901 58.7 -81.9-147.9 179.2 -8.6 20.0 18.5 286 287 A S T 34 S+ 0 0 81 -2,-0.3 4,-0.3 1,-0.3 -2,-0.0 0.762 123.2 54.9 -60.2 -24.5 -8.1 23.3 16.6 287 288 A E T 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.715 120.2 26.9 -83.0 -22.0 -4.3 22.9 16.7 288 289 A N T X4 S+ 0 0 0 -3,-1.2 3,-2.2 1,-0.1 4,-0.4 0.426 89.6 101.3-115.8 -0.8 -4.0 19.5 15.1 289 290 A Q G >< S+ 0 0 118 -4,-1.5 3,-1.3 1,-0.3 -3,-0.1 0.797 73.7 63.8 -63.1 -29.3 -7.2 19.4 13.0 290 291 A H G 3 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.3 -161,-0.2 0.647 104.6 49.1 -68.1 -12.1 -5.3 20.2 9.7 291 292 A L G < S+ 0 0 0 -3,-2.2 2,-0.4 -66,-0.3 -1,-0.3 0.470 98.1 84.3-102.3 -7.4 -3.4 16.8 10.2 292 293 A V < + 0 0 29 -3,-1.3 3,-0.1 -4,-0.4 -163,-0.1 -0.793 45.8 157.5-105.9 140.3 -6.5 14.7 10.8 293 294 A S > - 0 0 17 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.946 55.2-102.7-145.7 163.3 -8.8 13.1 8.2 294 295 A P H > S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.910 124.8 52.2 -55.6 -38.9 -11.2 10.2 8.3 295 296 A E H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.896 108.3 50.5 -62.9 -43.3 -8.6 8.1 6.5 296 297 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.946 113.1 45.6 -57.2 -51.1 -5.9 9.1 9.1 297 298 A L H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.887 113.1 48.9 -63.6 -40.4 -8.1 8.0 11.9 298 299 A D H X S+ 0 0 61 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.918 112.6 48.4 -65.1 -43.0 -9.2 4.8 10.3 299 300 A F H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 3,-0.5 0.944 113.3 47.5 -60.1 -49.1 -5.6 3.9 9.5 300 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-1.2 0.924 108.7 55.1 -56.5 -46.9 -4.5 4.7 13.1 301 302 A D H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.6 51.2 -56.1 -34.4 -7.4 2.7 14.5 302 303 A K H 3< S+ 0 0 67 -4,-1.4 10,-1.8 -3,-0.5 -1,-0.3 0.573 112.6 45.5 -86.1 -11.7 -6.3 -0.4 12.5 303 304 A L H << S+ 0 0 0 -3,-1.2 2,-1.7 -4,-0.8 -2,-0.2 0.833 102.7 64.2 -89.4 -44.3 -2.7 -0.1 13.8 304 305 A L < + 0 0 0 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.586 69.4 136.4 -89.6 76.3 -3.5 0.4 17.5 305 306 A R - 0 0 64 -2,-1.7 6,-0.2 -3,-0.2 5,-0.1 -0.975 54.2-139.3-117.1 137.4 -5.2 -2.8 18.4 306 307 A Y S S+ 0 0 6 -2,-0.4 2,-0.7 -58,-0.1 -106,-0.2 0.955 91.3 74.9 -53.9 -53.9 -4.4 -4.7 21.6 307 308 A D S >> S- 0 0 21 1,-0.2 3,-1.8 -3,-0.1 4,-0.7 -0.538 72.0-157.3 -68.6 111.4 -4.5 -8.0 19.7 308 309 A H G >4 S+ 0 0 2 -2,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.829 92.7 60.9 -58.0 -32.9 -1.2 -8.2 17.8 309 310 A Q G 34 S+ 0 0 48 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.725 102.4 53.3 -65.1 -21.7 -2.9 -10.7 15.4 310 311 A S G <4 S+ 0 0 68 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.622 85.0 102.9 -88.8 -18.5 -5.5 -8.0 14.5 311 312 A R S << S- 0 0 8 -4,-0.7 -8,-0.2 -3,-0.7 -9,-0.1 -0.318 82.7 -96.2 -67.7 148.8 -3.2 -5.2 13.5 312 313 A L - 0 0 24 -10,-1.8 -1,-0.1 -13,-0.2 2,-0.1 -0.378 37.0-126.7 -53.6 138.7 -2.5 -4.3 9.8 313 314 A T > - 0 0 29 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.411 30.0-103.1 -75.6 166.0 0.6 -5.9 8.4 314 315 A A H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -170,-0.1 0.907 123.9 48.1 -58.4 -41.6 3.1 -3.5 6.7 315 316 A R H > S+ 0 0 141 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.933 112.5 47.2 -67.8 -46.3 1.9 -4.6 3.3 316 317 A E H >4 S+ 0 0 101 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.889 109.0 56.1 -58.1 -41.0 -1.8 -4.2 4.2 317 318 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.899 101.5 56.3 -59.5 -40.1 -1.0 -0.8 5.7 318 319 A M H 3< S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.693 101.5 59.1 -65.9 -18.4 0.5 0.3 2.3 319 320 A E T << S+ 0 0 134 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.547 82.7 119.0 -81.4 -10.2 -2.9 -0.6 0.7 320 321 A H S X S- 0 0 15 -3,-1.7 3,-2.2 -4,-0.4 4,-0.2 -0.266 73.8-123.4 -68.5 144.8 -4.7 1.9 3.0 321 322 A P G > S+ 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.716 105.0 77.8 -53.3 -26.3 -6.7 4.9 1.5 322 323 A Y G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.793 96.2 47.3 -51.7 -30.8 -4.6 7.2 3.7 323 324 A F G X S+ 0 0 2 -3,-2.2 3,-1.3 -6,-0.2 -1,-0.3 0.443 81.7 95.3 -96.9 -0.5 -1.8 6.8 1.1 324 325 A Y T < S+ 0 0 173 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.832 84.5 52.6 -58.0 -33.5 -3.9 7.4 -2.1 325 326 A T T 3 S+ 0 0 79 -4,-0.4 2,-0.5 -3,-0.4 -1,-0.3 0.624 88.4 99.8 -80.2 -12.7 -2.9 11.0 -2.2 326 327 A V S < S- 0 0 8 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.0 -0.626 74.2-129.4 -83.3 122.9 0.9 10.2 -2.0 327 328 A V - 0 0 97 -2,-0.5 2,-0.2 1,-0.0 -2,-0.1 -0.563 27.8-143.5 -66.6 126.7 2.8 10.3 -5.3 328 329 A K - 0 0 87 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.652 38.9 -49.8 -94.5 150.6 4.8 7.0 -5.6 329 330 A D 0 0 112 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.365 360.0 360.0 -62.8 134.4 8.3 6.7 -7.0 330 331 A Q 0 0 201 -2,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.486 360.0 360.0-148.1 360.0 8.9 7.8 -9.6